Research Explorer

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Researcher

Guy Marin

Publications & Research Data

Awards & Distinctions

1614 Results

2025

Mathematical modeling and simulation of steam cracking of plastic-waste pyrolysis oils : overcoming kinetic and computational challenges

Tamás BuzogányIsmaël AmghizarGuy MarinGeraldine HeynderickxKevin Van Geem

Performance of Ni-CaO-CeO2 dual functional materials for integrated CO2 capture and utilization

Lukas BuelensLouis Van de VoordeVarun SinghMichiel Van CauwelaertHilde PoelmanGuy MarinKevin Van GeemVladimir Galvita

Two to jive : accelerating numerical reactive flows in turboreactors

Mike BonheureIsmaël AmghizarTamás BuzogányRejish Lal Johnson Samee LalGuy MarinElina NauhaKevin Van Geem

2024

Determining the fouling tendency of different feedstocks in the Fouling Assessment Setup

Lucas Dos Santos VargetteNenad RisticMoreno GeertsGeraldine HeynderickxGuy MarinKevin Van Geem

A1 Journal Article in HEAT AND MASS TRANSFER

Maximizing olefin yields for steam cracking of plastic waste pyrolysis oils : an experimental and modeling study

Tamás BuzogányIsmaël AmghizarMarvin KusenbergLin ChenDavid BrownGeraldine HeynderickxGuy MarinKevin Van Geem

Modeling the kinetics of hydrogen abstraction reactions in nitrogen-containing compounds via group additivity

Cato PappijnRuben Van de VijverMaarten SabbeMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling the thermochemistry of nitrogen-containing compounds via group additivity

Cato PappijnRuben Van de VijverMarie-Françoise ReyniersMaarten SabbeGuy MarinKevin Van Geem

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2023

Active machine learning for chemical engineers : a bright future lies ahead!

Yannick UreelMaarten DobbelaereYi OuyangKevin De RasMaarten SabbeGuy MarinKevin Van Geem

A1 Journal Article in ENGINEERING

Assessing the CO2 emission reduction potential of steam cracking furnace innovations via computational fluid dynamics : from high-emissivity coatings, over coil modifications to firing control

Florian WéryMoreno GeertsLaurien VandewallePieter ReyniersGeraldine HeynderickxGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING RESEARCH & DESIGN

Chemical looping : a technology platform for upcycling low-grade industrial resources

Varun SinghLukas BuelensHilde PoelmanGuy MarinVladimir Galvita

A2 Journal Article in DISCOVER CHEMICAL ENGINEERING

Electrification of steam cracking as a pathway to reduce the impact of the petrochemical industry on climate change

Oleksii MynkoMike BonheureIsmaël AmghizarDavid J. BrownLin ChenGuy MarinRodrigo Freitas de AlvarengaDidem Civancik UsluJo DewulfKevin Van Geem

A1 Journal Article in JOURNAL OF CLEANER PRODUCTION

Hydrodynamic CFD-DEM model validation in a gas–solid vortex unit

Florian WéryLaurien VandewalleGuy MarinGeraldine HeynderickxKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Methane valorization processes : challenges and achievements

Stavros Alexandros TheofanidisHilde PoelmanGuy MarinVladimir Galvita

Bookchapter in Methane conversion routes : status and prospects

Optimizing air distribution in floor and wall burners of an industrial steam cracking firebox : a CFD study

Florian WéryMoreno GeertsLaurien VandewallePieter ReyniersGeraldine HeynderickxGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING RESEARCH & DESIGN

Probing the performance of a Ni–Ca–Ce dual-functional material for integrated CO2 capture and utilization from a synthetic flue gas approximating industrial composition

Lukas BuelensLouis Van de VoordeVarun SinghHilde PoelmanGuy MarinVladimir Galvita

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The entanglement of society and technology in the debate over sustainable fuels and chemicals : an analysis of socio-technical cross-cutting challenges in SUNER-C

Kasper AmpeErik ParedisTycho Van HauwaertKoen ReynaertsJoeri WesselingGuy MarinKevin Van Geem

Transient APXPS as a tool to characterize the kinetics of alloy restructuring : application to Sn-poor PtSn ALD-derived nanoparticles

Evgeniy RedekopE. KokkonenS. UrpelainenJ. KnudsenA. KluyshinS. DiplasJolien DendoovenN. PonkottiChristophe DetavernierVladimir Galvita et al.

Valorizing the steel industry off-gases : proof of concept and plantwide design of an electrified and catalyst-free reverse water–gas-shift-based route to methanol

Evangelos DelikonstantisPanagiotis VettasFabio CameliMarco ScapinelloAnton NikiforovGuy MarinKevin Van GeemGeorgios Stefanidis

A1 Journal Article in ENVIRONMENTAL SCIENCE & TECHNOLOGY

2022

Aligning time-resolved kinetics (TAP) and surface spectroscopy (AP-XPS) for a more comprehensive understanding of ALD-derived 2D and 3D model catalysts

Evgeniy A. RedekopHilde PoelmanMatthias FilezRanjith Karuparambil RamachandranJolien DendoovenChristophe DetavernierGuy MarinUnni OlsbyeVladimir Galvita

A1 Journal Article in FARADAY DISCUSSIONS

Behaviour of Platinum-Tin during CO2-assisted propane dehydrogenation : insights from quick X-ray absorption spectroscopy

Nadadur Veeraraghavan SrinathHilde PoelmanLukas BuelensJolien DendoovenMarie-Françoise ReyniersGuy MarinVladimir Galvita

A1 Journal Article in JOURNAL OF CATALYSIS

Carbon monoxide production using a steel mill gas in a combined chemical looping process

Varun SinghLukas BuelensHilde PoelmanMark SaeysGuy MarinVladimir Galvita

A1 Journal Article in JOURNAL OF ENERGY CHEMISTRY

Comparison of jet loop and trickle-bed reactor performance in large-scale exploitation of glucose reductive aminolysis

Jeroen PoissonnierAnnelies CallewaertKristof MoonenGuy MarinJoris Thybaut

A1 Journal Article in CATALYSIS TODAY

Decarbonisation of steel mill gases in an energy-neutral chemical looping process

Varun SinghLukas BuelensHilde PoelmanMark SaeysGuy MarinVladimir Galvita

A1 Journal Article in ENERGY CONVERSION AND MANAGEMENT

Development of an active and mechanically stable catalyst for the oxidative coupling of methane in a gas–solid vortex reactor

Saashwath Swaminathan TharakaramanManuel Nuñez ManzanoShekhar KulkarniParviz YazdaniYoran De VosTom VerspeeltGeraldine HeynderickxKevin Van GeemGuy MarinMark Saeys

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Electrified temperature-modulated synthesis

Guy MarinKevin Van Geem

Editorial material

Exceeding equilibrium CO2 conversion by plasma-assisted chemical looping

Evangelos DelikonstantisMarco ScapinelloVarun SinghHilde PoelmanCesare MontesanoLuca Matteo MartiniPaolo TosiGuy MarinKevin Van GeemVladimir Galvita et al.

A1 Journal Article in ACS ENERGY LETTERS

Hollow structured Fe-based oxygen carriers for chemical looping CO2 conversion

Bo JinHilde PoelmanChristophe DetavernierGuy MarinVladimir Galvita

Intensifying blue hydrogen production by in situ CO2 utilisation

Varun SinghLukas BuelensHilde PoelmanMark SaeysGuy MarinVladimir Galvita

A1 Journal Article in JOURNAL OF CO2 UTILIZATION

Looking inside a Ni-Fe/MgAl2O4 catalyst for methane dry reforming via Mössbauer spectroscopy and in situ QXAS

Valentijn De CosterNadadur Veeraraghavan SrinathStavros-Alexandros TheofanidisLaura PirroAntoine Van AlboomHilde PoelmanMaarten SabbeGuy MarinVladimir Galvita

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Microkinetic model validation for Fischer-Tropsch synthesis at methanation conditions based on steady state isotopic transient kinetic analysis

Jonas Van BelleghemJia YangPieter JanssensJeroen PoissonnierDe ChenGuy MarinJoris Thybaut

A1 Journal Article in JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

New perspectives into cellulose fast pyrolysis kinetics using a Py-GC × GC-FID/MS system

Sri Bala GorugantuDiana Cristina Vargas SolisPavlo KostetskyyRuben Van de VijverLinda J. BroadbeltGuy MarinKevin Van Geem

A2 Journal Article in ACS ENGINEERING AU

Pyrolysis and oxidation of ethylamine, dimethylamine and diethylamine: Theoretical and kinetic modeling study

Cato PappijnFlorence VermeireRuben Van de VijverMarie-Françoise ReyniersGuy MarinKevin Van Geem

Reducing CO2 emissions of existing ethylene plants : evaluation of different revamp strategies to reduce global CO2 emission by 100 million tonnes

Oleksii MynkoIsmaël AmghizarDavid J. BrownLin ChenGuy MarinRodrigo Freitas de AlvarengaDidem Civancik UsluJo DewulfKevin Van Geem

A1 Journal Article in JOURNAL OF CLEANER PRODUCTION

Separate H2 and CO production from CH4-CO2 cycling of Fe-Ni

Bo JinNadadur Veeraraghavan SrinathHilde PoelmanChristophe DetavernierZhiwu LiangGuy MarinVladimir Galvita

A1 Journal Article in AICHE JOURNAL

Shadowing effect in catalyst activity : experimental observation

Juan Ignacio Mirena SeguiasEvgeniy RedekopHilde PoelmanNadadur Veeraraghavan SrinathDenis ConstalesGuy MarinGregory S. YablonskyJohn T. GleavesVladimir Galvita

A1 Journal Article in ACS CATALYSIS

Solids lateral mixing and compartmentalization in dynamically structured gas-solid fluidized beds

Laurien VandewalleVictor FranciaKevin Van GeemGuy MarinMarc-Olivier Coppens

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Speeding up turbulent reactive flow simulation via a deep artificial neural network : a methodology study

Yi OuyangLaurien VandewalleLin ChenPieter PlehiersMaarten DobbelaereGeraldine HeynderickxGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Steam cracking of methyl esters : a modeling study on the influence of the hydrocarbon backbone

Florence VermeireMarko DjokicGuy MarinKevin Van Geem

Trimetallic catalyst configuration for syngas production

Alessandro LongoStavros-Alexandros TheofanidisHilde PoelmanDipanjan BanerjeeGuy MarinVladimir Galvita

A1 Journal Article in CHEMCATCHEM

Upcycling the carbon emissions from the steel industry into chemicals using three metal oxide loops

Varun SinghLukas BuelensHilde PoelmanMark SaeysGuy MarinVladimir Galvita

A2 Journal Article in ENERGY ADVANCES

2021

3D computational fluid dynamics simulation of steam cracking furnaces : modeling coking and decoking

Moreno GeertsKevin Van GeemGuy MarinPieter Reyniers

A Boudart number for the assessment of irreducible pellet-scale mass transfer limitations : application to oxidative coupling of methane

Laurien VandewalleKevin Van GeemGuy MarinRené Bos

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

An assessment of electrified methanol production from an environmental perspective

Evangelos DelikonstantisElorri IgosStavros-Alexandros TheofanidisEnrico BenettoGuy MarinKevin Van GeemGeorgios Stefanidis

A1 Journal Article in GREEN CHEMISTRY

Biomass fast pyrolysis in an innovative gas-solid vortex reactor : experimental proof of concept

Manuel Nuñez ManzanoArturo Gonzalez QuirogaPatrice PerreaultSepehr MadanikashaniLaurien VandewalleGuy MarinGeraldine HeynderickxKevin Van Geem

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species

Cato PappijnFlorence VermeireRuben Van de VijverMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

catchyFOAM : Euler−Euler CFD simulations of fluidized bed reactors with microkinetic modeling of gas-phase and catalytic surface chemistry

Laurien VandewalleGuy MarinKevin Van Geem

A1 Journal Article in ENERGY & FUELS

CFD-based assessment of steady-state multiplicity in a gas-solid vortex reactor for oxidative coupling of methane

Laurien VandewalleGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION

Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study

Cato PappijnFlorence VermeireRuben Van de VijverMarie-Françoise ReyniersGuy MarinKevin Van Geem

Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study

Cato PappijnFlorence VermeireRuben Van de VijverMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

Coupling CO2 utilization and NO reduction in chemical looping manner by surface carbon

Jiawei HuVladimir GalvitaHilde PoelmanZhigang WangGuy MarinSibudjing Kawi

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Dream or reality? Electrification of the chemical process industries

Mike BonheureLaurien VandewalleGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING PROGRESS

Fast estimation of standard enthalpy of formation with chemical accuracy by artificial neural network correction of low-level-of-theory ab initio calculations

Pieter PlehiersIstvan LengyelDavid WestGuy MarinChristian StevensKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

From 3D to 1D : capturing the effect of particle clusters in downers in the fluid catalytic cracking of gasoil

Noel Gómez MendozaAlejandro MolinaGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING RESEARCH & DESIGN

From catalyst to process : bridging the scales in modeling the OCM reaction

Laura PirroPedro Freitas MendesBram KemsekeBart VandegehuchteGuy MarinJoris Thybaut

A1 Journal Article in CATALYSIS TODAY

Impact of the spatial distribution of active material on bifunctional hydrocracking

Juan Ignacio Mirena SeguiasJoris ThybautGuy MarinJohan A. MartensVladimir Galvita

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Intensifying mass and heat transfer using a high-g stator-rotor vortex chamber

Arturo González QuirogaVladimir ShternPatrice PerreaultLaurien VandewalleGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION

Interplay of transport phenomena and microkinetics in fluidized-bed reactors for the Oxidative Coupling of Methane

Laura PirroPedro Freitas MendesBart VandegehuchteMahdi YazdanpanahXiaotao BiJohn GraceGuy MarinJoris Thybaut

Micromixing in a gas-liquid vortex reactor : an experimental and numerical study

Yi OuyangManuel Nuñez ManzanoSepehr MadanikashaniLaurien VandewalleVladimir ShternGuy MarinGeraldine HeynderickxKevin Van Geem

Microstructured ZrO2 coating of iron oxide for enhanced CO2 conversion

Bo JinHilde PoelmanChristophe DetavernierZhiwu LiangGuy MarinVladimir Galvita

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Modelling layered fixed-bed catalytic reactors for the oxidative coupling of methane

Laura PirroPedro Freitas MendesJoris De KeulenaerBart VandegehuchteGuy MarinJoris Thybaut

On the primary thermal decomposition pathways of hydroxycinnamic acids

Sri Bala GorugantuRuben Van de VijverLiang LiOnur DoguGuy MarinKevin Van Geem

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

Particle-resolved CFD modeling of packed bed reactors : application to methane conversion

Laurien VandewalleGuy MarinKevin Van Geem

Process intensification of oxidative coupling of methane

Laurien VandewalleGuy MarinKevin Van Geem

Productivity enhancement for the oxidative coupling of methane in adiabatic layered-bed reactors

Laura PirroPedro Freitas MendesJoris De KeulenaerBart VandegehuchteGuy MarinJoris Thybaut

A2 Journal Article in ACS ENGINEERING AU

Reuse of CO2 in energy intensive process industries

Siglinda PerathonerKevin Van GeemGuy MarinGabriele Centi

A1 Journal Article in CHEMICAL COMMUNICATIONS

The advantages and limitations of LCF and MCR-ALS applied to QXAS data of Ni-Fe catalysts

Valentijn De CosterNadadur Veeraraghavan SrinathStavros-Alexandros TheofanidisLaura PirroHilde PoelmanMaarten SabbeGuy MarinVladimir Galvita

The shadowing effect in catalyst activity

Juan Ignacio Mirena SeguiasEvgeniy RedekopDenis ConstalesGrigoriy YablonskyGuy MarinVladimir Galvita

Thermal decomposition of furans with oxygenated substituents : a combined experimental and quantum chemical study

Florence VermeireJiuzhong YangChuangchuang CaoZhongkai LiuGuy MarinKevin Van Geem

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

2020

3D reactor technology for process intensification of steam cracking

Jens DedeyneKevin Van GeemGuy Marin

A combined TAP and AP-XPS study of carbon deposition on model Pt-In/MgO/SiO2 catalysts during propane dehydrogenation

Evgeniy RedekopHilde PoelmanMatthias FilezVladimir GalvitaRanjith Karuparambil RamachandranJolien DendoovenChristophe DetavernierGuy MarinUnni Olsbye

A multi-layered view of chemical and biochemical engineering

Rafiqul GaniJerzy BałdygaBéatrice BiscansElisabetta BrunazziJean-Claude CharpentierEnrico DrioliHermann FeiseAndrew FurlongKevin Van GeemJean-Charles de Hemptinne et al.

A1 Journal Article in CHEMICAL ENGINEERING RESEARCH & DESIGN

Advanced experimental aero-thermal investigations of differently enhanced tubular reactors

Marco VirgilioKevin Van GeemGuy MarinT. Arts

Alumina-based coating for coke reduction in steam crackers

Stamatis SarrisSteffen SymoensNatália OlahováMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in MATERIALS

Approaches for selective oxidation of methane to methanol

Richa SharmaHilde PoelmanGuy MarinVladimir Galvita

A1 Journal Article in CATALYSTS

Big data meets fouling: pixel-based approach in combination with GC × GC for fouling tendency prediction in steam crackers

Marko DjokicVictor AbrahamssonNenad RisticGuy MarinKevin Van Geem

Catalyst screening for the oxidative coupling of methane : from isothermal to adiabatic operation via microkinetic simulations

Laura PirroPedro Freitas MendesBart VandegehuchteGuy MarinJoris Thybaut

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

CFD-based demonstration of steady-state multiplicity in a gas-solid vortex reactor for oxidative coupling of methane

Laurien VandewalleKevin Van GeemGuy Marin

CFD-based study of steady-state multiplicity in a gas-solid vortex reactor for oxidative coupling of methane

Laurien VandewalleKevin Van GeemGuy Marin

Combined XPEEM and STXM study of coke formation on high temperature Al-containing alloys during steam cracking of ethane

Manjunath PatilJia ZhangLucas Dos Santos VargetteBrecht Laforcerachid belkhouSufal SwarajHilde PoelmanVladimir GalvitaAlessandro LongoLaslo Vincze et al.

Computational fluid dynamics‐based optimization of dimpled steam cracking reactors for reduced CO2 emissions

Jens DedeyneMoreno GeertsPieter ReyniersFlorian WéryKevin Van GeemGuy Marin

A1 Journal Article in AICHE JOURNAL

Controlled mixing in a dynamically structured, pulsed fluidized bed

Victor FranciaLaurien VandewalleKevin Van GeemGuy MarinM. O. Coppens

Crude to olefins : effect of feedstock composition on coke formation in a bench-scale steam cracking furnace

Moreno GeertsNenad RisticMarko DjokicSyam Ukkandath AravindakshanGuy MarinKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Dimples in turbulent pipe flows : experimental aero-thermal investigation

Marco VirgilioJens DedeyneKevin Van GeemGuy MarinT. Arts

A1 Journal Article in INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Effect of Rh in Ni-based catalysts on sulfur impurities during methane reforming

Stavros-Alexandros TheofanidisJohannis A. Z. PieterseHilde PoelmanAlessandro LongoMaarten SabbeMirella VirginieChristophe DetavernierGuy MarinVladimir Galvita

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Effects of 2-D and 3-D helical inserts on the turbulent flow in pipes

Marco VirgilioI. MayoJens DedeyneKevin Van GeemGuy MarinT. Arts

A1 Journal Article in EXPERIMENTAL THERMAL AND FLUID SCIENCE

Ethanol dehydration pathways in H-ZSM-5 : insights from temporal analysis of products

Rakesh BatchuVladimir GalvitaKonstantinos AlexopoulosTatyana. S. GlaznevaHilde PoelmanMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CATALYSIS TODAY

Experimental and kinetic modeling study of the pyrolysis and oxidation of diethylamine

Cato PappijnNicolas VinFlorence VermeireRuben Van de VijverOlivier HerbinetFrédérique Battin-LeclercMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in FUEL

FeO controls the sintering of iron-based oxygen carriers in chemical looping CO2 conversion

Jiawei HuHilde PoelmanGuy MarinChristophe DetavernierSibudjing KawiVladimir Galvita

A1 Journal Article in JOURNAL OF CO2 UTILIZATION

Hierarchical Fe-modified MgAl2O4 as Ni-catalyst support for methane dry reforming

Hao WangNadadur Veeraraghavan SrinathHilde PoelmanChristophe DetavernierPing LiGuy MarinVladimir Galvita

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY

Influence of obstacles on the wall heat transfer for 2D and 3D helically ribbed pipes

M. VirgilioI. MayoJens DedeyneKevin Van GeemGuy MarinT. Arts

A1 Journal Article in INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Invariant expressions for linear complex mechanisms : generalization for polar two-step sub-mechanisms

Daniel Branco PintoG.S. YablonskyGuy MarinDenis Constales

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Invariant expressions for linear complex mechanisms : single-step substance case

Daniel Branco PintoG. S. YablonskyGuy MarinDenis Constales

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Microkinetics-based analysis of the oxidative coupling of methane : combined impact of catalyst and reactor

Laura PirroJoris ThybautGuy MarinBart Vandegehuchte

New invariant expressions in chemical kinetics

Gregory S. YablonskyDaniel Branco PintoGuy MarinDenis Constales

A1 Journal Article in ENTROPY

Process intensification of oxidative coupling of methane

Laurien VandewalleKevin Van GeemGuy Marin

Process simulation and life cycle assessment of steam cracking process : evaluation of the impact of technological improvements based on relevant data of the complete integrated furnace platform

Oleksii MynkoD. BrownI. AmghizarL. ChenGuy MarinKevin Van Geem

Pyrometer-based control of a steam cracking furnace

Stijn VangaeverPieter ReyniersSteffen SymoensNenad RisticMarko DjokicGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING RESEARCH & DESIGN

Reactor engineering aspects of the lateral flow reactor

Laurien VandewalleShauvik DeKevin Van GeemGuy MarinRené Bos

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Single-route linear catalytic mechanism : a new, kinetico-thermodynamic form of the complex reaction rate

Gregory S. YablonskyDenis ConstalesGuy Marin

A1 Journal Article in SYMMETRY-BASEL

Steam cracking coke properties and their influence on furnace run length predictions : experimental and modeling study

Moreno GeertsSteffen SymoensPieter ReyniersGuy MarinMarie-Françoise ReyniersKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Sustainable innovations in steam cracking : CO2 neutral olefin production

Ismaël AmghizarJens DedeyneDavid BrownGuy MarinKevin Van Geem

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

The role of chemistry in the oscillating combustion of hydrocarbons : an experimental and theoretical study

Alessandro StagniYu SongLaurien VandewalleKevin Van GeemGuy MarinOlivier HerbinetFrédérique Battin-LeclercTiziano Faravelli

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

What makes Fe-modified MgAl2O4 an active catalyst support? : Insight from X-ray Raman scattering

Alessandro LongoStavros-Alexandros TheofanidisChiara CavallariNadadur Veeraraghavan SrinathJiawei HuHilde PoelmanMaarten SabbeChristoph J. SahleGuy MarinVladimir Galvita

A1 Journal Article in ACS CATALYSIS

2019

(Bio)methane direct catalytic conversion to (bio)ethylene in fluidized bed reactors

Laura PirroPedro Freitas MendesGuy MarinJoris ThybautJohn GraceXiaotao Bi

110th Anniversary : carbon dioxide and chemical looping : current research trends

Lukas BuelensHilde PoelmanGuy MarinVladimir Galvita

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A 'Pas de Deux' of methane : chemical engineering and catalysis

A multi-scale tool for functionalization of polyolefins through radical grafting

Julio César Hernández OrtizPaul Van SteenbergeJan DuchateauCarolina Toloza PorrasFons SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A two-phase stochastic model to describe mass transport and kinetics during reactive processing of polyolefins

Julio César Hernández OrtizPaul Van SteenbergeJan DuchateauCarolina Toloza PorrasFons SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Accelerating reactive CFD simulations with detailed pyrolysis chemistry using artificial neural networks

Pieter PlehiersLaurien VandewalleGuy MarinChristian StevensKevin Van Geem

Advanced chemical looping concept for energy and fuels applications (Keynote Speaker)

Guy MarinVladimir Galvita

An artificial neural network-based approach to thermodynamic property estimation

Ruben Van de VijverPieter PlehiersPieter-Jan VerberckmoesGuy MarinChristian StevensKevin Van Geem

An experimental and numerical study of the suppression of jets, counterflow, and backflow in vortex units

Shekhar KulkarniArturo González QuirogaManuel Nuñez ManzanoCedric SchuerewegenPatrice PerreaultChitrakshi GoelGeraldine HeynderickxKevin Van GeemGuy Marin

A1 Journal Article in AICHE JOURNAL

Analytical Py-GC/MS of genetically modified poplar for the increased production of bio-aromatics

Sri Bala GorugantuHilal Ezgi ToramanSteffen SymoensAnnabelle DéjardinGilles PilateWout BoerjanFrederik RonsseKevin Van GeemGuy Marin

A1 Journal Article in COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL

Arrhenius parameters for acrylate radical polymerization using low and high temperature pulsed laser polymerization data

Yoshi MarienAnil VirPaul Van SteenbergeFrancisco Jose Arraez HernandezChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Artificial intelligence in steam cracking modeling : a deep learning algorithm for detailed effluent prediction

Pieter PlehiersSteffen SymoensIsmaël AmghizarGuy MarinChristian StevensKevin Van Geem

A1 Journal Article in ENGINEERING

Assessment for the inclusion of liquid-phase chemistry in automatic kinetic model generation

Kevin De RasRuben Van de VijverFlorence VermeireGuy MarinKevin Van Geem

Azimuthal and radial flow patterns of 1g-Geldart B-type particles in a gas-solid vortex reactor

Arturo González QuirogaShekhar KulkarniLaurien VandewallePatrice PerreaultChitrakshi GoelGeraldine HeynderickxKevin Van GeemGuy Marin

A1 Journal Article in POWDER TECHNOLOGY

Balance between model detail and experimental information in steam methane reforming over a Ni/MgO-SiO2 catalyst

Brigitte DevochtJoris ThybautNaoki KageyamaKenneth TochShigeo Ted OyamaGuy Marin

A1 Journal Article in AICHE JOURNAL

Carbon capture and utilization in the steel industry : challenges and opportunities for chemical engineering

Kevin De RasRuben Van de VijverVladimir GalvitaGuy MarinKevin Van Geem

A1 Journal Article in CURRENT OPINION IN CHEMICAL ENGINEERING

Catalyst design for oxidative coupling of methane in a gas-solid vortex reactor

Saashwath Swaminathan TharakaramanGuy MarinMark Saeys

Catalyst ignition and extinction : a microkinetics-based bifurcation study of adiabatic reactors for oxidative coupling of methane

Laurien VandewalleIstvan LengyelDavid H. WestKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

CBS-QB3 calculated bond additivity corrections for standard enthalpies of formation of C, H, N, O and S containing species

Cato PappijnRuben Van de VijverFlorence VermeireMarie-Françoise ReyniersGuy MarinKevin Van Geem

Chemical and structural configuration of Pt-doped metal oxide thin films prepared by atomic layer deposition

Ranjith Karuparambil RamachandranMatthias FilezEduardo Solano MinuesaHilde PoelmanMatthias MinjauwMichiel Van DaeleJi-Yu FengAndrea La PortaThomas AltantzisEmiliano Fonda et al.

A1 Journal Article in CHEMISTRY OF MATERIALS

Chemical recycling : the answer to plastic waste?

Kevin Van GeemGuy Marin

CO2 sorption properties of Li4SiO4 with a Li2ZrO3 coating

Lukas BuelensHilde PoelmanChristophe DetavernierGuy MarinVladimir Galvita

A1 Journal Article in JOURNAL OF CO2 UTILIZATION

Coke formation during steam cracking

Steffen SymoensMoreno GeertsGuy MarinMarie-Françoise ReyniersKevin Van Geem

Combinatorial reaction searches on the PES using KinBot

Ruben Van de VijverJudit ZadorGuy MarinKevin Van Geem

Complex reaction network generation for steady state isotopic transient kinetic analysis : Fischer-Tropsch synthesis

Jonas Van BelleghemDenis ConstalesJoris ThybautGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Computational fluid dynamics-based studies of multiphase reactive flows

Noel Gómez MendozaLaurien VandewalleManuel Nuñez ManzanoSepehr MadanikashaniShekhar KulkarniGeraldine HeynderickxGuy MarinKevin Van Geem

Computational fluid dynamics-based study of novel technologies in the steam cracking process

Yu ZhangStijn VangaeverJens DedeyneGuy MarinGeraldine HeynderickxKevin Van Geem

Conservatively Perturbed Equilibrium (CPE) in chemical kinetics

Gregory YablonskyDaniel Branco PintoGuy MarinDenis Constales

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Descriptor-property relationships in heterogeneous catalysis : exploiting synergies between statistics and fundamental kinetic modelling

Laura PirroPedro Freitas MendesStijn ParetBart VandegehuchteGuy MarinJoris Thybaut

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY

Design and optimization of 3D reactor technologies for the production of light olefins

Jens DedeyneMarco VirgilioTony ArtsGuy MarinKevin Van Geem

Development of a catalyst for oxidative coupling of methane in a gas-solid vortex reactor

Saashwath Swaminathan TharakaramanGuy MarinMark Saeys

Effect of contaminants on coke formation during steam cracking of propane

Manjunath PatilMarko DjokicGuy MarinMarie-Françoise ReyniersKevin Van Geem

Exothermic catalytic reactions : heat and mass transfer effects

Experimental and kinetic modeling study of the oxidation of a biofuel nitrogen-containing model compound

Cato PappijnFlorence VermeireOlivier HerbinetFrédeérique Battin-LeclercMarie-Françoise ReyniersGuy MarinKevin Van Geem

Exploring microemulsion-prepared lanthanum catalysts for natural gas valorisation catalysts for small scale application in natural gas and biomass conversion

Cristina Estruch BoschStephen PoulstonPaul CollierJoris ThybautGuy Marin

A1 Journal Article in JOHNSON MATTHEY TECHNOLOGY REVIEW

Exploring the stability of Fe2O3-MgAl2O4 oxygen storage materials for CO production from CO2

Lukas BuelensNaga Venkata Ranga Aditya DharanipragadaHilde PoelmanZhiming ZhouGuy MarinVladimir Galvita

A1 Journal Article in JOURNAL OF CO2 UTILIZATION

Exploring the synthesis and use of lanthanum-based catalysts for oxidative coupling of methane

Cristina Estruch BoschJoris ThybautGuy MarinPaul J Collier

Fast pyrolysis of pine biomass in a gas solid vortex reactor

Manuel Nuñez ManzanoArturo González QuirogaShekhar KulkarniChitrakshi GoelGuy MarinGeraldine HeynderickxKevin Van Geem

Fast pyrolysis of polyethylene in the gas-solid vortex reactor

Manuel Nuñez ManzanoIngmar NopensPatrice PerreaultGeraldine HeynderickxGuy MarinKevin Van Geem

Fe2O3-MgAl2O4 for CO production from CO2 : Mössbauer spectroscopy and in situ X-ray diffraction

Lukas BuelensToon Van AlboomHilde PoelmanChristophe DetavernierGuy MarinVladimir Galvita

A1 Journal Article in ACS SUSTAINABLE CHEMISTRY & ENGINEERING

First principles based modeling of pyrolysis of cycloalkanes

Muralikrishna KhandavilliKevin Van GeemGuy Marin

First-principles-based simulation of an industrial ethanol dehydration reactor

Kristof Van der BorghtKonstantinos AlexopoulosKenneth TochJoris ThybautGuy MarinVladimir Galvita

A1 Journal Article in CATALYSTS

Formation and functioning of bimetallic nanocatalysts : the power of X-ray probes

Matthias FilezEvgeniy A RedekopJolien DendoovenRanjith Karuparambil RamachandranEduardo SolanoUnni OlsbyeBert M WeckhuysenVladimir GalvitaHilde PoelmanChristophe Detavernier et al.

A1 Journal Article in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

From n-butyl acrylate Arrhenius parameters for backbiting and tertiary propagation to β-scission via stepwise pulsed laser polymerization

Anil VirYoshi MarienPaul Van SteenbergeChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

From n-butyl acrylate Arrhenius parameters for backbiting and tertiary propagation to β-scission via stepwise pulsed laser polymerization

Anil VirYoshi MarienPaul Van SteenbergeChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in POLYMER CHEMISTRY

Genesys : building kinetic models from first principles

Ruben Van de VijverFlorence VermeireGuy MarinKevin Van Geem

Golf meets a steam cracking coil : dimpled reactor technology for the production of light olefins

Jens DedeyneMarco VirgilioTony ArtsJens FloréHeinrich LaibDavid Van CauwenbergeGuy MarinKevin Van Geem

Group additive kinetic modeling for the pyrolysis of cyclic species

Florence VermeireRuben Van de VijverGuy MarinKevin Van Geem

Heavy steam cracking feedstocks : chemical analysis and fouling assessment

Nenad RisticKevin Van GeemGuy Marin

How does the surface structure of Ni-Fe nano-alloys control carbon formation during methane steam/dry reforming?

Stavros-Alexandros TheofanidisHilde PoelmanGuy MarinVladimir Galvita

Bookchapter in Advanced nanomaterials for catalysis and energy : synthesis, characterization and applications

Hydrodeoxygenation of bio-oil over mo based catalysts : assessment via model compounds and their mixtures

Chanakya RangaJoris ThybautGuy Marin

Ignition in adiabatic reactors for oxidative coupling of methane

Interplay of head, tail, and mid-chain radicals in bulk free-radical and reversible degenerative addition fragmentation chain-transfer polymerizations of vinyl acetate

Nils De RybelPaul Van SteenbergeMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

A1 Journal Article in MACROMOLECULES

Jens K. NørskovGabriele CentiIb ChorkendorffRobert SchlöglBert WeckhuysenGuy Marin

Bookchapter in Research needs towards sustainable production of fuels and chemicals

Ketohydroperoxide reactions uncovered by KinBot

Ruben Van de VijverJudit ZadorGuy MarinKevin Van Geem

Kinetic Monte Carlo modeling of multimodal distributions in pulsed laser and miniemulsion polymerization

Yoshi MarienDagmar D'hoogeGuy Marin

Kinetics of lifetime changes in bimetallic nanocatalysts revealed by quick X-ray absorption spectroscopy

Matthias FilezHilde PoelmanEvgeniy RedekopVladimir GalvitaKonstantinos AlexopoulosMaria MeldinaRanjith RamachandranJolien DendoovenChristophe DetavernierGustaaf Van Tendeloo et al.

Large eddy simulation of tubular reactors with spherical dimples

Jens DedeyneDavid Van CauwenbergePieter ReyniersKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Large-scale exploitation of glucose reductive aminolysis : comparison of jet-loop and trickle-bed reactor performance

Jeroen PoissonnierFrederik Van WaesKristof MoonenGuy MarinJoris Thybaut

Layered catalytic reactors for direct natural gas conversion to ethylene

Laura PirroJoris De KeulenaerPedro Freitas MendesBart VandegehuchteGuy MarinJoris Thybaut

Making chemicals with electricity

Kevin Van GeemVladimir GalvitaGuy Marin

Editorial material

Measuring biomass fast pyrolysis kinetics : state of the art

Sri Bala GorugantuHans-Heinrich CarstensenKevin Van GeemGuy Marin

A1 Journal Article in WILEY INTERDISCIPLINARY REVIEWS-ENERGY AND ENVIRONMENT

Methane reforming to valuable products by an atmospheric pressure direct current discharge

Gorugantu SriBalaDries MichielsChristophe LeysKevin Van GeemGuy MarinAnton Nikiforov

A1 Journal Article in JOURNAL OF CLEANER PRODUCTION

Mixture effects on alkane and cyclo-alkane hydroconversion over PT/USY catalyst

Nebojsa KoricaPedro Freitas MendesGuy MarinJoris Thybaut

Multi-scale simulation framework for the oxidative coupling of methane : from process layouts to catalyst particles

Laura PirroPedro Freitas MendesBram KemsekeB. VandegehuchteGuy MarinJoris Thybaut

Multiphase modeling for reactive processing of polyolefins

Paul Van SteenbergeJulio César Hernández OrtizJ.N. DuchateauC. TolozaF. SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

New insights into cellulose fast pyrolysis kinetics using advanced analytical techniques

Sri Bala GorugantuKevin Van GeemGuy Marin

New perspectives to ‘old’ catalysts : impact of reactor operating mode on the performance ranking for Oxidative Coupling of Methane P

Laura PirroPedro Freitas MendesAna ObradovićBD vandegehuchteGuy MarinJoris Thybaut

On-line analysis of nitrogen containing compounds in steam cracking effluent

Marko DjokicNenad RisticCato PappijnGuy MarinKevin Van Geem

On-the-fly ab initio calculations toward accurate rate coefficients

Ruben Van de VijverKevin Van GeemGuy Marin

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

Opportunities and challenges for biomass conversion processes

Kevin Van GeemArturo González QuirogaDirk De VosFrederik RonsseWolter PrinsWout BoerjanGuy Marin

Oxidative coupling of methane in a gas-solid vortex reactor

Laurien VandewalleKevin Van GeemGuy Marin

Oxidative coupling of methane in a gas-solid vortex reactor

Kevin Van GeemLaurien VandewalleShekhar KulkarniManuel Nuñez ManzanoGeraldine HeynderickxSaashwath Swaminathan TharakaramanGuy MarinMark Saeys

Particle by particle kinetic Monte Carlo tracking of reaction and mass transfer events in miniemulsion free radical polymerization

Yoshi MarienPaul Van SteenbergeDagmar D'hoogeGuy Marin

A1 Journal Article in MACROMOLECULES

Pressure-induced deactivation of core-shell nanomaterials for catalyst assisted chemical looping

Jiawei HuVladimir GalvitaHilde PoelmanChristophe DetavernierGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Process intensification for oxidative coupling of methane

Laurien VandewalleManuel Nuñez ManzanoKevin Van GeemGuy Marin

Process intensification in a gas–solid vortex unit : computational fluid dynamics model based analysis and design

Laurien VandewalleArturo González QuirogaPatrice PerreaultKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Promoting effect of strontium on lanthanum oxide catalysts for the oxidative coupling of methane

Saashwath Swaminathan TharakaramanGuy MarinMark Saeys

Pulsed laser polymerization of acrylates : access to tertiary propagation, backbiting and beta-scission Arrhenius parameters

Yoshi MarienAnil VirPaul Van SteenbergeFrancisco Jose Arraez HernandezChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

QUANTIS : data quality assessment tool by clustering analysis

Steffen SymoensSyam Ukkandath AravindakshanFlorence VermeireKevin De RasMarko DjokicGuy MarinMarie-Françoise ReyniersKevin Van Geem

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Renewable resources for the production of olefins and energy carriers

Florence VermeireKevin Van GeemGuy Marin

Swapping the equilibrium

Grigoriy YablonskyDaniel Branco PintoGuy MarinDenis Constales

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

The need for pressure dependent kinetics in steam cracking models

Ruben Van de VijverFlorence VermeireKevin De RasSyam Ukkandath AravindakshanGuy MarinKevin Van Geem

The relevance of multi‐injection and temperature profiles to design multi‐phase reactive processing of polyolefins

Julio César Hernández OrtizPaul Van SteenbergeJan DuchateauCarolina Toloza PorrasFons SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

The role of mass and heat transfer in the design of novel reactors for oxidative coupling of methane

Laurien VandewalleRuben Van de VijverKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Theoretical study of the mechanism and microkinetics of cobalt-catalyzed Fischer-Tropsch synthesis

Kasun Govini ThanthrigeMark SaeysGuy Marin

Towards revolutionizing process : and reaction engineering with artificial intelligence-based models

Pieter PlehiersSteffen SymoensIsmaël AmghizarPieter-Jan VerberckmoesGuy MarinChristian StevensKevin Van Geem

Transport phenomena and fast pyrolysis in vortex reactors

Sepehr MadanikashaniShekhar KulkarniGeraldine HeynderickxGuy MarinKevin Van Geem

2018

A core-shell structured Ni-Fe bifunctional nanomaterial for catalyst-assisted chemical looping

Jiawei HuVladimir GalvitaHilde PoelmanGuy Marin

A gas-solid vortex reactor for the fast pyrolysis of biomass

Arturo González QuirogaPieter ReyniersShekhar KulkarniHans-Heinrich CarstensenKevin Van GeemGuy Marin

A model platform to support design of functional polymeric materials

Paul Van SteenbergeMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A multiphase model for reactive processing of polyolefins through grafting

Julio César Hernández OrtizPaul Van SteenbergeJ.N. DuchateauC. TolozaF. SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A Novel Interpretation of Measured and Simulated PLP Data

Yoshi MarienPaul Van SteenbergeGilles DesmetChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A Synchrotron’s View on Birth, Life and Death of Pt-In Catalysts

Hilde PoelmanMatthias FilezEvgeniy RedekopVladimir GalvitaM. MeledinaG. Van TendelooRanjith Karuparambil RamachandranJolien DendoovenChristophe DetavernierGuy Marin

Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions

Ruben Van de VijverMaarten SabbeMarie-Françoise ReyniersKevin Van GeemGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio group additivity model for the free radical reactions of nitrogen-containing compounds

Cato PappijnRuben Van de VijverMarie-Françoise ReyniersGuy MarinKevin Van Geem

Ab-Initio Derived Group Additivity Model for Intra-Molecular Hydrogen Abstraction Reactions

Pieter PlehiersRuben Van de VijverMaarten SabbeMarie-Françoise ReyniersKevin Van GeemGuy Marin

Ab-initio-based kinetic modeling to understand RAFT exchange : the case of 2-Cyano-2-Propyl Dodecyl Trithiocarbonate and Styrene

Gilles DesmetNils De RybelPaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULAR RAPID COMMUNICATIONS

Access to the β-scission rate coefficient in acrylate radical polymerization by careful scanning of pulse laser frequencies at elevated temperature

Anil VirYoshi MarienPaul Van SteenbergeChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

Adaptive reaction network size control for the catalytic conversion of renewable resources

Maëli LissensBrigitte DevochtGuy MarinJoris Thybaut

Advanced chemical looping materials for CO2 utilization : a review

Jiawei HuVladimir GalvitaHilde PoelmanGuy Marin

A1 Journal Article in MATERIALS

Advances in chemical engineering- bridging scales in modelling and simulation of non-reacting and reacting flows part II

Guy MarinJ. PushpavanamA.G. DixonK. McAuleyA. ParenteJ. De Wilde

An evaluation of the impact of SG1 disproportionation and the addition of styrene in NMP of methyl methacrylate

Stijn FierensPaul Van SteenbergeFlorence VermeireMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in AICHE JOURNAL

Analysis of volume‐to‐surface ratio effects on methane oxidative coupling using microkinetic modeling

Vaios AlexiadisT. SerresGuy MarinC. MirodatosJoris ThybautY. Schuurman

A1 Journal Article in AICHE JOURNAL

Analytical and advanced kinetic models for characterization of chain-growth copolymerization : the state-of-the-art

Stijn FierensPaul Van SteenbergeMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

A1 Journal Article in REACTION CHEMISTRY & ENGINEERING

Application of Py-GC/MS coupled with PARAFAC2 and PLS-DA to study fast pyrolysis of genetically engineered poplars

Hilal Ezgi ToramanVictor AbrahamssonRuben VanholmeRebecca Van AckerFrederik RonsseGilles PilateWout BoerjanKevin Van GeemGuy Marin

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Assessing adiabatic operation of OCM fixed-bed reactor via a microkinetic analysis of light-off behavior

Laura PirroAna ObradovićBart VandegehuchteGuy MarinJoris Thybaut

Auto-thermal CO2 utilization by chemical looping : from nano to reactor scale

Jiawei HuGuy MarinVladimir Galvita

Automated reaction database and reaction network analysis : extraction of reaction templates using cheminformatics

Pieter PlehiersGuy MarinChristian StevensKevin Van Geem

A1 Journal Article in JOURNAL OF CHEMINFORMATICS

Bifunctional Co- and Ni-ferrites for catalyst-assisted chemical looping with alcohols

Aditya DharanipragadaVladimir GalvitaHilde PoelmanLukas BuelensChristophe DetavernierGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Catalyst ignition in a gas-solid vortex reactor for oxidative coupling of methane: a numerical study

Laurien VandewalleIstvan lengyelDavid WestKevin Van GeemGuy Marin

Catalyst-assisted chemical looping auto-thermal dry reforming : spatial structuring effects on process efficiency

Jiawei HuVladimir GalvitaHilde PoelmanChristophe DetavernierGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic reductive aminolysis of reducing sugars : elucidation of reaction mechanism

Michiel PelckmansTzvetan MihaylovWilliam FaveereJeroen PoissonnierFrederik Van WaesKristof MoonenGuy MarinJoris ThybautKristine PierlootBert Sels

A1 Journal Article in ACS CATALYSIS

CFD investigation of the particle morphology on cluster formation in down-flow reactive systems

Noel Gómez MendozaLaurien VandewallePieter ReyniersAlejandero MolinaKevin Van GeemGuy Marin

CFD-based biomass fast pyrolysis simulations in a gas-solid vortex reactor demonstrating process intensification

Shekhar KulkarniArturo González QuirogaPatrice PerreaultHitesh SewaniGeraldine HeynderickxKevin Van GeemGuy Marin

A2 Journal Article in CHEMICAL ENGINEERING TRANSACTIONS

CFD-based Biomass Fast Pyrolysis Simulations in a Gas-Solid Vortex Reactor demonstrating Process Intensification

Shekhar KulkarniArturo González QuirogaLaurien VandewallePatrice PerreaultHitesh SewanicGeraldine HeynderickxKevin Van GeemGuy Marin

CO2 utilization via chemical looping

Guy MarinVladimir GalvitaLukas BuelensHilde Poelman

Coking tendency of 25Cr-35Ni alloys : influence of temperature, sulfur addition, and cyclic aging

Natália OlahováStamatis SarrisMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Combined characterization using HT-GC × GC-FID and FT-ICR MS : a pyrolysis fuel oil case study

Marko DjokicHendrik MullerNenad RisticAbdul Rahman AkhrasSteffen SymoensGuy MarinKevin Van Geem

A1 Journal Article in FUEL PROCESSING TECHNOLOGY

Compositional characterization of pyrolysis fuel oil from Naphtha and vacuum gas oil

Nenad RisticMarko DjokicElisabeth DelbekeArturo González QuirogaChristian StevensKevin Van GeemGuy Marin

A1 Journal Article in ENERGY & FUELS

Computation-guided innovation of a grand old lady : steam cracking

Computational Fluid Dynamics based design of a novel reactor technology for the oxidative coupling of methane

Laurien VandewalleKevin Van GeemGuy Marin

Computational fluid dynamics-assisted process intensification study for biomass fast pyrolysis in a gas–solid vortex reactor

Shekhar KulkarniLaurien VandewalleArturo González QuirogaPatrice PerreaultGeraldine HeynderickxKevin Van GeemGuy Marin

A1 Journal Article in ENERGY & FUELS

Computational fluid dynamics-based study of a high emissivity coil coating in an industrial steam cracker

Stijn VangaeverPieter ReyniersCor VisserDietlinde JakobiGeraldine HeynderickxGuy MarinKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Computational fluid dynamics-based study of novel technologies in steam cracking furnaces

Stijn VangaeverSteffen SymoensMarko DjokicGuy MarinGeraldine HeynderickxKevin Van Geem

Computational fluid dynamics-based study of novel technologies in the steam cracking process

Stijn VangaeverJens DedeynePieter ReyniersGuy MarinGeraldine HeynderickxKevin Van Geem

Conversion of solid waste to diesel via catalytic pressure-less depolymerization : pilot scale production and detailed compositional characterization

Pieter PlehiersArturo González QuirogaMarko DjokicKevin Van GeemGuy Marin

Data quality assessment by clustering analysis and principle component analysis

Steffen SymoensSyam Ukkandath AravindakshanFlorence VermeireSri Bala GorugantuGuy MarinMarie-Françoise ReyniersKevin Van Geem

Decomposition and isomerization of 1-pentanol radicals and the pyrolysis of 1-pentanol

Ruben Van de VijverKevin Van GeemGuy MarinJudita Zador

A1 Journal Article in COMBUSTION AND FLAME

Designing nitroxide mediated polymerization : a selection of a terminal or a penultimate model for the intrinsic reactivities

Paul Van SteenbergeStijn FierensMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Detailed experimental and kinetic modeling study of cyclopentadiene pyrolysis in the presence of Ethene

Alexander VervustMarko DjokicShamel MerchantHans-Heinrich CarstensenAlan LongGuy MarinWilliam GreenKevin Van Geem

A1 Journal Article in ENERGY & FUELS

Effect of Rh-Ni based catalysts during reforming of biomass gasification gas

Nadadur Veeraraghavan SrinathStavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanA. LongoJ.A.Z. PieterseChristophe DetavernierGuy Marin

Experimental and kinetic modeling study of Cyclohexane Pyrolysis

Muralikrishna KhandavilliMarko DjokicFlorence VermeireHans Heinrich CarstensenKevin Van GeemGuy Marin

A1 Journal Article in ENERGY & FUELS

Experimental and kinetic modeling study of pyrolysis and combustion of anisole

Matteo PelucchiTiziano FaravelliAlessio FrassoldatiEliseo RanziSri Bala GorugantuGuy MarinKevin Van Geem

A2 Journal Article in CHEMICAL ENGINEERING TRANSACTIONS

Experimental and modeling study of the pyrolysis and combustion of dimethoxymethane

Florence VermeireHans-Heinrich CarstensenOlivier HerbinetFrédérique Battin-LeclercGuy MarinKevin Van Geem

A1 Journal Article in COMBUSTION AND FLAME

Experimental confirmation of a new invariant for a non-linear chemical reaction

Baoxiang PengGrigoriy YablonskyDenis ConstalesGuy MarinMartin Muhler

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Experimental demonstration of biomass fast pyrolysis in the gassolid vortex reactor

Shekhar KulkarniArturo González QuirogaGeraldine HeynderickxKevin Van GeemGuy Marin

Experimental Heat Transfer Modelling in a Gas-Solid Vortex Un

Shekhar KulkarniCedric SchuerewegenGeraldine HeynderickxKevin Van GeemGuy Marin

Experimental testing the invariant for the non-linear chemical reaction

Baoxiang PengGrigoriy YablonskyDenis ConstalesGuy Marinmartin Muhler

Exploring pulsed laser polymerization in view of reactor design and control

Yoshi MarienPaul Van SteenbergeAnil VirC. Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Fast pyrolysis oil : detailed kinetics of model compounds hydrodeoxygenation

Daria OtyuskayaJoris ThybautGuy Marin

Fast pyrolysis oil stabilization kinetics over a Ni-Cu catalyst using propionic acid as a model compound

Daria OtyuskayaJoris ThybautVaios AlexiadisV. AlekseevaR. VenderboschV. YakovlevGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Fe-based nano-materials in catalysis

Stavros-Alexandros TheofanidisVladimir GalvitaChristos KonstantopoulosHilde PoelmanGuy Marin

A1 Journal Article in MATERIALS

Fe-Containing magnesium aluminate support for stability and carbon control during methane reforming

Stavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanNaga Venkata Ranga Aditya DharanipragadaAlessandro LongoMaria MeledinaGustaaf Van TendelooChristophe DetavernierGuy Marin

A1 Journal Article in ACS CATALYSIS

Gateway analysis for complex reaction mechanisms : Kinetic Informative Detachable (KID) sub-mechanisms

Daniel Branco PintoGregory YablonskyGuy MarinDenis Constales

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

How chain length dependency interferes with the bulk RAFT polymerization rate and microstructural control

Nils De RybelPaul Van SteenbergeMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

How the kinetic Monte Carlo toolbox enhances the field of macromolecular engineering (Keynote Speaker)

Paul Van SteenbergeMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Impact of Cycloalkanes on Alkane Hydroconversion: A Combined Experimental and Modeling Study

Nebojsa KoricaPedro Freitas MendesGuy MarinJoris Thybaut

Insight in kinetics from pre-edge features using time resolved in situ XAS

Naga Venkata Ranga Aditya DharanipragadaVladimir GalvitaHilde PoelmanLukas BuelensAlessandro LongoGuy Marin

A1 Journal Article in AICHE JOURNAL

Intensification of chemical processes by advanced multiscale simulations

Pieter ReyniersKevin Van GeemGuy Marin

Joint kinetics : new relationships between thermodynamic and relaxation characteristics

Grigoriy YablonskyGuy Marin

Kinetics of homogeneous and heterogeneous reactions in the reductive aminolysis of glucose with dimethylamine

Jeroen PoissonnierMichiel PelckmansFrederik Van WaesKristof MoonenBert SelsJoris ThybautGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Kinetics of the reductive aminolysis of glucose with dimethylamine below 400 k

Jeroen PoissonnierMichiel PelckmansFrederik Van WaesKristof MoonenBert SelsJoris ThybautGuy Marin

Large-scale production of fuels and chemicals : coping with complex feedstocks and chemistry

Machine learning and continuous flow : detection and correction of flow-incompatible reaction conditions

Pieter PlehiersConnor W ColeyHanyu GaoWilliam H GreenGuy MarinChristian StevensKevin Van Geem

Machine learning for efficient and continuous retrosynthetic product design : a novel reaction identifier

Pieter PlehiersC.W. ColeyH. GaoW.H. GreenGuy MarinChristian StevensKevin Van Geem

Mastering the interplay between homogeneous and heterogeneously catalyzed reactions : kinetic modeling and scale-up of glucose aminolysis

Jeroen PoissonnierJoris ThybautGuy Marin

Mechanism of carbon deposits removal from supported Ni catalysts

Stavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanRakesh BatchuLukas BuelensChristophe DetavernierGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Mixture Effect on Alkane and Cycloalkane Hydroconversion over Pt/USY Catalyst

Nebojsa KoricaPedro Freitas MendesGuy MarinJoris Thybaut

Model based analysis of the effect of ethylphenol addition to n-decane in fluid catalytic cracking over an extended zeolite library (Invited Lecture)

Vaios AlexiadisMoritz HeuchelJoris ThybautYvonne TraaGuy MarinElias Klemm

Model-based catalyst selection for the oxidative coupling of methane in an adiabatic fixed-bed reactor

Laura PirroAna ObradovićBart D. VandegehuchteGuy MarinJoris Thybaut

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Multiphase reactor modeling for reactive processing of polyolefines

Julio César Hernández OrtizPaul Van SteenbergeJan DuchateauCarolina TolozaFons SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

New insights in chemical relaxations : invariants and conservatively perturbed equilibrium

Daniel Branco PintoGuy MarinDenis ConstalesGrigoriy Yablonsky

New Insights in Chemical Relaxations: Invariants and Conservatively Perturbed Equilibrium

Daniel Branco PintoGrigoriy YablonskyGuy MarinDenis Constales

New invariances for chemical reactions from Scaled Incremental Conversion (SIC)

Daniel Branco PintoGrigoriy YablonskyGuy MarinDenis Constales

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

New trends in Olefin production

Ismaël AmghizarLaurien VandewalleKevin Van GeemGuy Marin

A1 Journal Article in ENGINEERING

Ni nanoparticles and the Kirkendall effect in dry reforming of methane

N. PegiosV. BliznukStavros-Alexandros TheofanidisVladimir GalvitaGuy MarinR. PalkovitsK. Simeonov

A1 Journal Article in APPLIED SURFACE SCIENCE

Novel insights in reactive processing by combining kinetic and reactor modeling

Julio César Hernández OrtizPaul Van SteenbergeJ.N.E. DuchateauC. TolozaF. SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Numerical and experimental evaluation of heat transfer in helically corrugated tubes

David Van CauwenbergeJens DedeyneKevin Van GeemGuy MarinJ. Floré

A1 Journal Article in AICHE JOURNAL

Olefin production: opportunities and challenges for chemical reaction engineering

On the mechanisms of secondary flows in a Gas Vortex Unit

Kaustav NiyogiMaria del Mar Torregrosa GalindoVladimir ShternGuy MarinGeraldine Heynderickx

A1 Journal Article in AICHE JOURNAL

On the reactivity of mono-lignol derivatives

Sri Bala GorugantuHans-Heinrich CarstensenKevin Van GeemGuy Marin

On-the-fly ab initio calculations toward accurate rate coefficients

Ruben Van de VijverKevin Van GeemGuy Marin

Operational range of a gas-solid vortex unit

Maximilian FriedleGuy MarinGeraldine Heynderickx

A1 Journal Article in POWDER TECHNOLOGY

Plant wide optimization for high value added products : a steam cracking case study

Kevin Van GeemGuy MarinAndres Muñoz GandarillasYu ZhangW. DuF. Qian

Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination

Alan LongShamel MerchantAaron VandeputteHans-Heinrich CarstensenAlexander VervustGuy MarinKevin Van GeemWilliam Green

A1 Journal Article in COMBUSTION AND FLAME

Process concept and materials for carbon dioxide capture and conversion : super-dry reforming of methane

Lukas BuelensGuy MarinVladimir Galvita

Process intensification in steam cracking : flow characteristics of spherically dimpled tubes

Jens DedeyneMarco VirgilioT. ArtsKevin Van GeemGuy Marin

Proof of concept CFD study of polystyrene pyrolysis in a gas-solid vortex reactor

Manuel Nuñez ManzanoShekhar KulkarniGuy MarinIngmar NopensGeraldine HeynderickxKevin Van Geem

Pt-Ga catalyst formation studied with in situ XAS using Fourier and wavelet transformed analysis.

Hilde PoelmanE. RedekopVladimir GalvitaChristophe DetavernierMatthias FilezGuy Marin

Pulsed laser (co)polymerization to determine intrinsic rate coefficients

Yoshi MarienPaul Van SteenbergeAnil VirC. Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Sensitivity analysis of single-phase isothermal free radical-induced grafting of polyethylene

Julio César Hernández OrtizPaul Van SteenbergeJan N. E. DuchateauC. TolozaF. SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

State-of-the-art of coke formation during steam cracking: anti-coking surface technologies

Steffen SymoensNatália OlahováAndrés Muñoz GandarillasHadiseh KarimiMarko DjokicMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The thermal decomposition of furfural : molecular chemistry unraveled

Florence VermeireHans-Heinrich CarstensenOlivier HerbinetFrédérique Battin-LeclercGuy MarinKevin Van Geem

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

The thermal decomposition of furfural: molecular chemistry unraveled

Florence VermeireHans-Heinrich CarstensenOlivier HerbinetFrédérique Battin-LeclercGuy MarinKevin Van Geem

Thermal decomposition of sulfur compounds and their role in coke formation during steam cracking of hydrocarbons

Marko DjokicKevin Van GeemRuben Van de VijverCato PappijnNatália OlahováGuy Marin

Thermal decomposition of sulfur compounds: kinetic modeling and experimental validation

Cato PappijnNatália OlahováRuben Van de VijverMarko DjokicMarie-Françoise ReyniersGuy MarinKevin Van Geem

Time resolved insight in an iron containing catalyst support

Stavros-Alexandros TheofanidisNaga Venkata Ranga Aditya DharanipragadaLukas BuelensHilde PoelmanA. LongoVladimir GalvitaGuy Marin

Upgrading the value of anaerobic digestion via chemical production from grid injected biomethane

Kristof VerbeeckLukas BuelensVladimir GalvitaGuy MarinKevin Van GeemKorneel Rabaey

A1 Journal Article in ENERGY & ENVIRONMENTAL SCIENCE

Van molecule tot proces en product : ontdek hoe ingenieurs chemie op grote schaal duurzaam inzetten voor het oplossen van de uitdagingen van onze tijd

2017

A complete understanding of the reaction kinetics for the industrial production process of expandable polystyrene

Lies De KeerPaul Van SteenbergeMarie-Françoise ReyniersGuy MarinKlaus-Dieter HungenbergLibor SedaDagmar D'hooge

A1 Journal Article in AICHE JOURNAL

A comprehensive kinetic model for Cu catalyzed liquid phase glycerol hydrogenolysis

Tapas RajkhowaGuy MarinJoris Thybaut

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

A core-shell structured Fe2O3/ZrO2@ZrO2 nanomaterial with enhanced redox activity and stability for CO2 conversion

Jiawei HuVladimir GalvitaHilde PoelmanChristophe DetavernierGuy Marin

A1 Journal Article in JOURNAL OF CO2 UTILIZATION

A drag model for the gas-solid vortex unit

Maximilian FriedleKaustav NiyogiMaria del Mar Torregrosa GalindoGuy MarinGeraldine Heynderickx

A1 Journal Article in POWDER TECHNOLOGY

A synchrotron look into the lifecycle Of Pt-In catalysts

Hilde PoelmanMatthias FilezEvgeniy RedekopVladimir GalvitaM. MeledinaG. Van TendelooChristophe DetavernierGuy Marin

A tracking of the complete microstructural evolution of individual polymer chains during polymer modification reactions

Julio César Hernández OrtizPaul Van SteenbergeJan DuchateauKlaas RemerieCarolina TolozaAna Luisa VazFons SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization

Gilles DesmetYoshi MarienPaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in POLYMER CHEMISTRY

Ab initio coverage-dependent microkinetic modeling of benzene hydrogenation on Pd(111)

Maarten SabbeGonzalo Canduela-RodriguezJean-François JolyMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY

Ab Initio study on the dimerization of lignol model species

Hans-Heinrich CarstensenKevin Van GeemMarie-Françoise ReyniersGuy Marin

An advanced kinetic modeling for reactive polymer processing

Julio César Hernández OrtizPaul Van SteenbergeJan DuchateauCarolina Toloza PorrasFons SchreursMarie-Françoise ReyniersGuy MarinDagmar D'hooge

An update on the pivotal role of kinetic modeling for the mechanistic understanding and design of bulk and solution RAFT polymerization

Nils De RybelPaul Van SteenbergeMarie-Françoise ReyniersChristopher Barner-KowollikDagmar D'hoogeGuy Marin

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

Analytical rate expressions accounting for the elementary steps in Benzene hydrogenation on Pt

Luis Alberto Lozano GuerraGuy MarinJoris Thybaut

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Anisole hydrotreatment kinetics on CoMo catalyst in the absence of sulfur : experimental investigation and model construction

Daria OtyuskayaJoris ThybautRune LodengGuy Marin

A1 Journal Article in ENERGY & FUELS

Application of partial least squares regression for understanding and prediction of fouling in the transfer line heat exchanger of a steam cracker

Nenad RisticVictor AbrahamssonKristina FranzKevin Van GeemGuy Marin

Atomic layer deposition of nanoalloys of noble and non-noble metals

Ranjith Karuparambil RamachandranJolien DendoovenMatthias FilezVladimir GalvitaHilde PoelmanEduardo Solano MinuesaMatthias MinjauwGuy MarinChristophe Detavernier

A2 Journal Article in ECS TRANSACTIONS

Automated reaction family generation and analysis using cheminformatics

Pieter PlehiersGuy MarinChristian StevensKevin Van Geem

Automatic ab initio calculations for kinetic model generation of gas-phase processes

Ruben Van de VijverKevin Van GeemGuy Marin

Catalytic Process Technology for a CO2 Neutral World

Guy MarinVladimir Galvita

CFD based design of a novel reactor technology for the oxidative coupling of methane

Laurien VandewallePatrice PerreaultKevin Van GeemGuy Marin

CFD simulations of industrial steam cracking reactors : turbulence-chemistry interaction and dynamic zoning

Pieter ReyniersCarl SchietekatBo KongAlberto PassalacquaKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

CFD-assisted Process Intensification for biomass fast pyrolysis in Gas-Solid Vortex Reactor technology

Shekhar KulkarniArturo González QuirogaPatrice PerreaultGeraldine HeynderickxKevin Van GeemGuy Marin

CO production from CO2 via reverse water–gas shift reaction performed in a chemical looping mode : kinetics on modified iron oxide

Marcus WenzelNaga Venkata Ranga Aditya DharanipragadaVladimir GalvitaHilde PoelmanGuy MarinLiisa Rihko-StruckmannKai Sundmacher

A1 Journal Article in JOURNAL OF CO2 UTILIZATION

CO2 Utilization via Auto-thermal Catalyst-assisted Chemical Looping (Invited Lecture)

Jiawei HuVladimir GalvitaHilde PoelmanGuy Marin

CO2 utilization by chemical looping : iron oxides characterization by in situ XRD and XAS

Naga Venkata Ranga Aditya DharanipragadaGuy MarinVladimir Galvita

Cobalt catalyzed Fischer-Tropsch synthesis kinetics via steady state isotopic transient kinetic analysis and multi-scale modeling

Jonas Van BelleghemJoris ThybautGuy Marin

Combined chemical looping : new possibilities for energy storage and conversion

Vladimir GalvitaHilde PoelmanGuy Marin

A1 Journal Article in ENERGY & FUELS

Computational fluid dynamics based design of a novel reactor technology for the oxidative coupling of methane

Laurien VandewalleMark SaeysPatrice PerreaultChitrakshi GoelKevin Van GeemGuy Marin

Computational fluid dynamics based design of a novel reactor technology for the oxidative coupling of methane

Laurien VandewallePatrice PerreaultKevin Van GeemGuy Marin

Computational fluid dynamics simulations of biomass fast pyrolysis in a gas-solid vortex reactor

Shekhar KulkarniLaurien VandewalleArturo González QuirogaPatrice PerreaultPieter ReyniersGeraldine HeynderickxKevin Van GeemGuy Marin

Computational fluid dynamics-based fire-side modeling of steam cracking furnaces

Yu ZhangGuy MarinKevin Van GeemF. Qian

Computational fluid dynamics-based steam cracking furnace optimization using feedstock flow distribution

Yu ZhangPieter ReyniersCarl SchietekatKevin Van GeemGuy MarinWenli DuFeng Xian

A1 Journal Article in AICHE JOURNAL

Controlling the stability of a Fe-Ni reforming catalyst : structural organization of the active components

Stavros-Alexandros TheofanidisVladimir GalvitaMaarten SabbeHilde PoelmanChristophe DetavernierGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Design and cold flow testing of a Gas-Solid Vortex Reactor demonstration unit for biomass fast pyrolysis

Arturo González QuirogaPieter ReyniersShekhar KulkarniMaria del Mar Torregrosa GalindoPatrice PerreaultGeraldine HeynderickxKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Detailed experimental and kinetic modeling study of cyclopentadiene pyrolysis and the effect of ethene as co-reactant

Alexander VervustMarko DjokicShamel MerchantAlan LongGuy MarinWilliam GreenKevin Van Geem

Development and performance of iron based oxygen carriers for chemical looping

Vladimir GalvitaHilde PoelmanEsteban ForneroMark SaeysGuy Marin

Bookchapter in Nanotechnology in catalysis : applications in the chemical industry, energy development, and environment protection

Dynamic simulation of fouling in steam cracking reactors using CFD

Laurien VandewalleDavid Van CauwenbergeJens DedeyneKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Effect of the vinyl group on the reactivity of LIGNIN H, G, S units during biomass fast pyrolysis

Sri Bala GorugantuDiana Cristina Vargas SolisHans-Heinrich CarstensenKevin Van GeemGuy Marin

Effect of zeolite confinement on the conversion of 1-butanol to butene isomers : mechanistic insights from DFT based microkinetic

Mathew JohnKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY

Estimating the photodissociation quantum yield from PLP-SEC peak heights

Yoshi MarienPaul Van SteenbergeKatrin KocklerChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in POLYMER CHEMISTRY

Experimental and kinetic modeling study of the pyrolysis and oxidation of 1,5-hexadiene : the reactivity of allylic radicals and their role in the formation of aromatics

Florence VermeireRuben De BruyckerOlivier HerbinetHans-Heinrich CarstensenFrédérique Battin-LeclercGuy MarinKevin Van Geem

A1 Journal Article in FUEL

Experimental and modeling study of the pyrolysis of biodiesel : unraveling the role of double bonds

Florence VermeireRuben De BruyckerKevin Van GeemGuy Marin

Experimentally validated numerical study of gas-solid vortex unit hydrodynamics

Kaustav NiyogiMaria del Mar Torregrosa GalindoMaria PantzaliGeraldine HeynderickxGuy Marin

A1 Journal Article in POWDER TECHNOLOGY

Exploring the Fundamentals in Catalytic Partial Oxidation of Methane : the Interaction Between Diffusion and Reaction in a Packed Bed

Songjun LiuAna ObradovićJoris ThybautGuy Marin

First principles based automated kinetic model generation using on-the-fly ab initio calculations

Ruben Van de VijverKevin Van GeemGuy Marin

First principles based microkinetic modeling of methyl butanoate pyrolysis

Paschalis ParaskevasFlorence VermeireMarko DjokicMaarten SabbeMarie-Françoise ReyniersN. PapayannakosKevin Van GeemGuy Marin

Full-scale simulation of an industrial steam cracking furnace using OpenFOAM on Tier-1

Pieter ReyniersLaurien VandewalleKevin Van GeemGuy Marin

Group additive modeling of cyclopentane pyrolysis

Muralikrishna KhandavilliFlorence VermeireRuben Van de VijverMarko DjokicHans-Heinrich CarstensenKevin Van GeemGuy Marin

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Group additive modeling of substituent effects in monocyclic aromatic hydrocarbon radicals

Alper InceHans-Heinrich CarstensenMaarten SabbeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in AICHE JOURNAL

How penultimate monomer unit effects and initiator choice influence ICAR ATRP of n-butyl acrylate and methyl methacrylate

Stijn FierensPaul Van SteenbergeMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in AICHE JOURNAL

Hydrocracking modeling : molecular reconstruction and microkinetics

Joris ThybautKevin Van GeemGuy Marin

Impact of initial surface roughness and aging on coke formation during Ethane steam cracking

Stamatis SarrisSteffen SymoensNatália OlahováKim VerbekenMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Incident radiative heat flux based method for the coupled run length simulation of steam cracking furnaces

Yu ZhangPieter ReyniersWenly DuFeng XianKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Interplay of kinetics and thermodynamics in catalytic steam methane reforming over Ni/MgO-SiO2

Naoki KageyamaBrigitte DevochtAtsushi TakagakiKenneth TochJoris ThybautGuy MarinS. Ted Oyama

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Investigation of particle cluster morphology in a downflow reactive system via large eddy simulation

Noel Gómez MendozaLaurien VandewallePieter ReyniersDavid Van CauwenbergeAlejandro MolinaRodney FoxKevin Van GeemGuy Marin

Kinetic Intersections as a Source of Information on Rate Coefficients

Daniel Branco PintoGrigoriy YablonskyGuy MarinDenis Constales

Kinetic Monte Carlo generation of complete electron spray ionization mass spectra for acrylate macromonomer synthesis

Paul Van SteenbergeJoke VandenberghMarie-Françoise ReyniersThomas JunkersDagmar D'hoogeGuy Marin

A1 Journal Article in MACROMOLECULES

Kinetic Monte Carlo modeling extracts information on chain initiation and termination from complete PLP-SEC traces

Yoshi MarienPaul Van SteenbergeChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

A1 Journal Article in MACROMOLECULES

Kinetics of the thermal decomposition of sulfur compounds

Marko DjokicCato PappijnRuben Van de VijverMarie-Françoise ReyniersGuy MarinKevin Van Geem

Large-scale exploitation of bimodal reaction sequences including degradation : comparison of Jet Loop and trickle bed reactor

Jeroen PoissonnierJoris ThybautGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Mapping the kinetic events in a linear two-step irreversible-reversible reaction mechanism

Daniel Branco PintoGrigoriy YablonskyGuy MarinDenis Constales

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Mechanistic insights into the formation of butene isomers from 1-butanol in H-ZSM-5 : DFT based microkinetic modelling

Mathew JohnKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY

Modeling the reaction event history and microstructure of individual macrospecies in post-polymerization modification

Julio César Hernández OrtizPaul Van SteenbergeMarie-Françoise ReyniersGuy MarinDagmar D'hoogeJan DuchateauKlaas RemerieCarolina TolozaAna Luisa VazFons Schreurs

A1 Journal Article in AICHE JOURNAL

Multi-scale modeling of 3D reactor technology for reduced coke formation in steam cracking

David Van CauwenbergeKevin Van GeemGuy Marin

Multiscale analysis and design of vortex reactors for biomass pyrolysis

Multiscale modeling in chemical engineering on Tier-2 and Tier-1

Pieter ReyniersKevin Van GeemGuy Marin

Ni supported on MgFeAlOx as carbon resistant catalyst for methane reforming : structural and mechanistic study

Stavros-Alexandros TheofanidisNaga Venkata Ranga Aditya DharanipragadaAlessandro LongoVladimir GalvitaHilde PoelmanGuy Marin

On near-wall jets in a disc-like gas vortex unit

Kaustav NiyogiMaria del Mar Torregrosa GalindoMaria PantzaliGeraldine HeynderickxGuy MarinVladimir Shtern

A1 Journal Article in AICHE JOURNAL

On the reactivity of mono-lignol derivatives

Sri Bala GorugantuJulie Van OverloopDiana Cristina Vargas SolisHans-Heinrich CarstensenKevin Van GeemGuy Marin

On-line detection of heteroatomic compounds in steam cracking effluents

Marko DjokicKevin Van GeemGuy Marin

Optimization of the in situ pretreatment of high temperature Ni-Cr alloys for ethane steam cracking

Stamatis SarrisNatália OlahováKim VerbekenMarie-Françoise ReyniersGuy MarinKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Oxygen-containing contaminants and steam cracking : understanding their impact using Coilsim1D

Ismaël AmghizarAndrés MuñozMarko DjokicKevin Van GeemGuy Marin

Periodic reactive flow simulation : proof of concept for steam cracking coils

David Van CauwenbergeLaurien VandewallePieter ReyniersKevin Van GeemGuy MarinJens Floré

A1 Journal Article in AICHE JOURNAL

Perturbed equilibrium : new results in joint kinetics

Daniel Branco PintoGrigoriy YablonskyGuy MarinDenis Constales

Positive effect of Ga-promoting on the catalytic dehydrogenation of propane over a Pt catalyst

Stephanie SaerensMaarten SabbeVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Product distributions from fast pyrolysis of 10 Ecuadorian agricultural residual biomass samples

Diana Cristina Vargas SolisSri Bala GorugantuHans-Heinrich CarstensenDaniela Almeida StreitwieserKevin Van GeemGuy Marin

Pulsed Laser Polymerization Revisited : From the Photodissociation Quantum Yield to the Chain Initiation, Propagation, Backbiting and Termination Reactivity

Yoshi MarienPaul Van SteenbergeKatrin KocklerChristopher Barner-KowollikMarie-Françoise ReyniersGuy MarinDagmar D'hooge

Quantifying the dominant factors in Cu catalyst deactivation during glycerol hydrogenolysis

Tapas RajkhowaGuy MarinJoris Thybaut

A1 Journal Article in JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Quantitative compositional analysis of Estonian shale oil using comprehensive two dimensional gas chromatography

Nenad RisticMarko DjokicAlar KonistKevin Van GeemGuy Marin

A1 Journal Article in FUEL PROCESSING TECHNOLOGY

Quantitative on-line analysis of sulfur compounds in complex hydrocarbon matrices

Marko DjokicNenad RisticNatália OlahováGuy MarinKevin Van Geem

A1 Journal Article in JOURNAL OF CHROMATOGRAPHY A

Reforming processes for sustainable syngas production : the role of Fe

Stavros-Alexandros TheofanidisVladimir GalvitaGuy Marin

Role of intermediates in reaction pathways from ethene to hydrocarbons over H-ZSM-5

Rakesh BatchuVladimir GalvitaKonstantinos AlexopoulosKristof Van der BorghtHilde PoelmanMarie-Françoise ReyniersGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Role of products and intermediates in bioethanol conversion to hydrocarbons on H-ZSM-5 : a time-resolved study

Rakesh BatchuVladimir GalvitaKonstantinos AlexopoulosKristof Van der BorghtHilde PoelmanMarie-Françoise ReyniersGuy Marin

Single and two-phase hydrodynamics in confined vortex technology

Kaustav NiyogiGeraldine HeynderickxGuy Marin

Size- and composition-controlled Pt–Sn bimetallic nanoparticles prepared by atomic layer deposition

Ranjith Karuparambil RamachandranMatthias FilezJolien DendoovenVladimir GalvitaHilde PoelmanEduardo Solano MinuesaEmiliano FondaGuy MarinChristophe Detavernier

A1 Journal Article in RSC ADVANCES

Steam-Cracking: From Molecule To Industrial Process

Kevin Van GeemGuy Marin

Steering linear 1-alkene, propene or gasoline yields in ethene oligomerization via the interplay between nickel and acid sites

Kenneth TochJoris ThybautM.A. ArribasA. MartínezGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Substituent effects in oxygenated monocyclic aromatic hydrocarbons : ab initio based group additivity

Alper InceMarie-Françoise ReyniersGuy Marin

Super-Dry Reforming of CH4

Lukas BuelensVladimir GalvitaHilde PoelmanGuy Marin

Tailoring the physical and catalytic properties of lanthanum oxycarbonate nanoparticles

Cristina Estruch BoschM.P. CopleyT. EralpE. BilbéJoris ThybautGuy MarinP. Collier

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Techno-economic analysis of an absorption based methanol to olefins recovery section

Pieter ReyniersLaurien VandewalleStephanie SaerensPhilip De SmedtGuy MarinKevin Van Geem

A1 Journal Article in APPLIED THERMAL ENGINEERING

The chemical route to a carbon dioxide neutral world

Johan A MartensAnnemie BogaertsNorbert De KimpePierre A JacobsGuy MarinKorneel RabaeyMark SaeysSebastian Verhelst

A1 Journal Article in CHEMSUSCHEM

The positive role of hydrogen on the dehydrogenation of Propane on Pt(111)

Stephanie SaerensMaarten SabbeVladimir GalvitaEvgeniy RedekopMarie-Françoise ReyniersGuy Marin

A1 Journal Article in ACS CATALYSIS

The relevance of the termination rate coefficient model to accurately describe the chain length distribution in the industrial production of expandable polystyrene

Lies De KeerPaul Van SteenbergeMarie-Françoise ReyniersKlaus-Dieter HungenbergDagmar D'hoogeGuy Marin

Thiol-Michael addition in polar aprotic solvents : nucleophilic initiation or base catalysis?

Gilles DesmetMaarten SabbeDagmar D'hoogePieter EspeelSensu CelasunGuy MarinFilip Du PrezMarie-Françoise Reyniers

A1 Journal Article in POLYMER CHEMISTRY

Towards a Better Understanding and Control of Catalytic Reactions in the Conversion of Renewable Resources

Brigitte DevochtKenneth TochJoris ThybautGuy Marin

Towards first-principles based kinetic modeling of biomass fast pyrolysis

A. Gonzáles-QuirogaKevin Van GeemGuy Marin

A1 Journal Article in BIOMASS CONVERSION AND BIOREFINERY

Towards large Eddy simulations with detailed kinetics

Pieter ReyniersDavid Van CauwenbergeGuy MarinKevin Van Geem

Trends and challenges In chemical engineering research

Understanding and optimization of chemical reactor performance for bimodal reaction sequences

Jeroen PoissonnierJoris ThybautGuy Marin

A1 Journal Article in AICHE JOURNAL

Zeolite catalysed conversion of alcohols to hydrocarbons: from molecular to industrial scale

Marie-Françoise ReyniersGuy Marin

2016

1D model for coupled simulation of steam cracker convection section with improved evaporation model

Pieter VerheesIsmaël AmghizarJühl GoemareAbdul Rahman AkhrasGuy MarinKevin Van GeemGeraldine Heynderickx

A1 Journal Article in CHEMIE INGENIEUR TECHNIK

3D reactor technology for steam cracking: simulation and experimental validation

Jens DedeyneMarco VirgilioT artsKevin Van GeemGuy Marin

A full exploitation of the pulsed laser polymerization technique to assess all important rate coefficients in acrylate radical polymerization

Yoshi MarienPaul Van SteenbergeKB KocklerC Barner-KowollikMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

A gas-solid vortex reactor for the fast pyrolysis of biomass

Arturo González QuirogaPieter ReyniersShekhar KulkarniHans-Heinrich CarstensenKevin Van GeemGuy Marin

A Multi-Scale Modelling Platform applied towards Fischer Tropsch Synthesis on Fe catalysts

José Guillermo Rivera de la CruzMarie-Françoise ReyniersGuy Marin

A new method for the measurement of the backbiting rate coefficient in acrylate radical polymerization

Yoshi MarienPaul Van SteenbergeKatrin KocklerCristopher Barner-KowollikMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

A single-event microkinetic model for ethylene hydroformylation on Rh and Co

Nima NavidiJoris ThybautGuy Marin

A single-event microKinetic model for ethylene hydroformylation to propanal on Rh and Co based catalysts

Nima NavidiGuy MarinJoris Thybaut

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

A single-event microKinetic model for the cobalt catalyzed fischer-tropsch synthesis

Jonas Van BelleghemC LedesmaJ YangKenneth TochD ChenJoris ThybautGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Ab initio based microkinetic modelling as a tool to understand and improve controlled polymerization processes

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Ab initio molecular dynamics for ethanol asorption in H-ZSM-5

Konstantinos AlexopoulosM-S LeeY LiuY ZhiYS LiuMarie-Françoise ReyniersGuy MarinV-A GlezakouR RousseauJA Lercher

Advanced data analysis and modelling in chemical engineering

Denis ConstalesGrigoriy YablonskyDagmar D'hoogeJoris ThybautGuy Marin

Advanced microkinetics of reversible addition-fragmentation chain transfer polymerization

Pieter DerbovenMarie-Françoise ReyniersGuy Marin

Al-based coating for coke reduction during ethane steam cracking

Stamatis SarrisNatália OlahováMarko DjokicM CouvratF RiallantH ChasselinMarie-Françoise ReyniersGuy MarinKevin Van Geem

An alternative method to estimate the bulk backbiting rate coefficient in acrylate radical polymerization

Yoshi MarienPaul Van SteenbergeKatrin B KocklerChristopher Barner-KowollikMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

A1 Journal Article in POLYMER CHEMISTRY

An experimental and kinetic modeling study of γ-valerolactone pyrolysis

Ruben De BruyckerHans-Heinrich CarstensenMarie-Françoise ReyniersGuy MarinJ. SimmieKevin Van Geem

A1 Journal Article in COMBUSTION AND FLAME

Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5

Konstantinos AlexopoulosM-S LeeY LiuY ZhiYS LiuMarie-Françoise ReyniersGuy MarinV-A GlezakouR RousseauJ Lercher

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Atomic layer deposition route to tailor nanoalloys of noble and non-noble metals

Ranjith Karuparambil RamachandranJolien DendoovenMatthias FilezVladimir GalvitaHilde PoelmanEduardo Solano MinuesaMatthias MinjauwKilian Devloo-CasierEmiliano FondaDaniel Hermida-Merino et al.

A1 Journal Article in ACS NANO

Bio-butanol dehydration and butene isomerization in zeolites : ab initio and microkinetic modelling

Mathew JohnMarie-Françoise ReyniersGuy Marin

Bioethanol conversion to hydrocarbons : from laboratory to industrial scale

Kristof Van der BorghtVladimir GalvitaGuy Marin

Bridges in Modelling and Simulation of Steam-cracking: From Fossil to Renewable Feedstock and from Melecule to Furnace

Kevin Van GeemGuy Marin

Bridges in Modelling and Simulation of Steam-Cracking: From Fossil to Renewable Feesdtock and from Molecule to Furnace

Carbon gasification from Fe-Ni catalysts for methane dry reforming

Stavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Catalyst-assisted combined chemical looping: Super-dry reforming of CH4

Lukas BuelensVladimir GalvitaHilde PoelmanGuy Marin

Catalytic dehydrogenation of propane on Pt catalysts: the positive effect of hydrogen co-feeding

Stephanie SaerensMaarten SabbeVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Chain transfer in degenerative RAFT polymerization revisited: a comparative study of literature models

Pieter DerbovenPaul Van SteenbergeMarie-Françoise ReyniersC Barner-KowollikDagmar D'hoogeGuy Marin

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

Challenges and opportunities for molecule-based management of chemical processes

Ruben Van de VijverBrigitte DevochtKevin Van GeemJoris ThybautGuy Marin

A1 Journal Article in CURRENT OPINION IN CHEMICAL ENGINEERING

Characterization and comparison of fast pyrolysis bio-oils from pinewood, rapeseed cake, and wheat straw using 13C NMR and comprehensive GC × GC

L NegahdarArturo González QuirogaDaria OtyuskayaHilal Ezgi ToramanLi LiuJTBH JastrzebskiKevin Van GeemGuy MarinJoris ThybautBM Weckhuysen

A1 Journal Article in ACS SUSTAINABLE CHEMISTRY & ENGINEERING

CO2 conversion to CO by auto-thermal catalyst-assisted chemical looping

Jiawei HuLukas BuelensStavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanGuy Marin

A1 Journal Article in JOURNAL OF CO2 UTILIZATION

Coating of Fe2O3 nanoparticles for enhanced redox activity and stability

Jiawei HuVladimir GalvitaHilde PoelmanGuy Marin

Computational and kinetic study of the thiol and aza Michael addition

Gilles DesmetDagmar D'hoogeMaarten SabbeGuy MarinFilip Du PrezMarie-Françoise Reyniers

Computational fluid dynamic design of jet stirred reactors for measuring intrinsic kinetics of gas-phase and gas-solid reactions

Pieter ReyniersStamatis SarrisGuy MarinKevin Van Geem

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Computational fluid dynamic design of steam cracking reactors : simulation of dynamic coke growth

Laurien VandewalleJens DedeyneDavid Van CauwenbergePieter ReyniersAlexander VervustKevin Van GeemGuy Marin

Computational fluid dynamics design of steam cracking reactors: extrusion method for simulation of dynamic coke layer growth

Laurien VandewalleJens DedeyneDavid Van CauwenbergePieter ReyniersKevin Van GeemGuy Marin

Computational Investigation of the Aminolysis of RAFT Macromolecules

Gilles DesmetDagmar D'hoogeMaarten SabbeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF ORGANIC CHEMISTRY

Conversion of solid waste to diesel via catalytic pressureless depolymerization: pilot scale production and detailed compositional characterization

Arturo González QuirogaMarko DjokicKevin Van GeemGuy Marin

A1 Journal Article in ENERGY & FUELS

De chemische weg naar een CO2-neutrale wereld

Johan MartensAnnemie BogaertsNorbert De KimpePierre JacobsGuy MarinKorneel RabaeyMark SaeysSebastian Verhelst

Deactivation study of Fe2O3−CeO2 during redox cycles for CO production from CO2

Naga Venkata Ranga Aditya DharanipragadaMaria MeledinaVladimir GalvitaHilde PoelmanStuart TurnerGustaaf Van TendelooChristophe DetavernierGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Design and construction of an experimental setup for measuring intrinsic kinetics of biomass fast pyrolysis

Diana Cristina Vargas SolisHilal Ezgi ToramanHans-Heinrich CarstensenD Almeida StreitwieserKevin Van GeemGuy Marin

Design of a gas-solid vortex reactor demonstration unit for the fast pyrolysis of lignocellulosic biomass

Arturo González QuirogaHans-Heinrich CarstensenKevin Van GeemGuy Marin

Detailed kinetic analysis of reversible deactivation radical polymerization

Dagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Development of a 1D simulation model for a steam cracker convection section

Pieter VerheesIsmaël AmghizarJühl GoemaereAbdul Rahman AkhrasKevin Van GeemGuy MarinGeraldine Heynderickx

DFT-based and microkinetic analysis of zeolite-catalyzed conversion of bio-alcohols

Marie-Françoise ReyniersGuy Marin

DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5

Konstantinos AlexopoulosMathew JohnKristof Van der BorghtVladimir GalvitaMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Early stages in the formation and burning of graphene on a Pt/Mg(Al)Ox dehydrogenation catalyst: a temperature- and time-resolved study

Evgeniy RedekopStephanie SaerensVladimir GalvitaIP GonzálezMaarten SabbeV BliznukMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Enhanced catalytic performance of Ni-Fe alloy in methane dry reforming: role of Fe

Stavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanGuy Marin

Experimental study on the initial thermal decomposition of resorcinol

Diana Cristina Vargas SolisHilal Ezgi ToramanHans-Heinrich CarstensenD Almeida StreitwieserKevin Van GeemGuy Marin

Fast Pyrolysis for the Circular Economy: from Plastic Waste to Genetically Engineered Poplar

Hilal Ezgi ToramanKevin Van GeemGuy Marin

Fast pyrolysis of lignocellulosic biomass in the gas-solid vortex reactor

Arturo González QuirogaPieter ReyniersShekhar KulkarniHans-Heinrich CarstensenKevin Van GeemGuy Marin

Fast pyrolysis oil hydrodeoxygenation

Daria OtyuskayaJoris ThybautGuy Marin

First principles based kinetic model for biomass fast pyrolysis: cyclic model compounds

Muralikrishna KhandavilliHans-Heinrich CarstensenKevin Van GeemGuy Marin

First Principles Based Microkinetic Modelling of Methyl Butanoate Pyrolysis

Florence VermeirePaschalis ParaskevasRuben Van de VijverRuben De BruyckerMaarten SabbeMarie-Françoise ReyniersNikos PapayannakosGuy MarinKevin Van Geem

First principles kinetic study on the effect of zeolite framework on 1-butanol dehydration

Mathew JohnKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in ACS CATALYSIS

First-principles kinetic model for 2-Methyl-Tetrahydrofuran Pyrolysis and combustion

Ruben De BruyckerLS TranHans-Heinrich CarstensenPA GlaudeF Battin-LeclercGuy MarinKevin Van Geem

First-Principles Kinetic Model for 2-Methyl-Tetrahydrofuran Pyrolysis and Combustion (Plenary Lecture)

Ruben De BruyckerLS TranHans-Heinrich CarstensenPA GlaudeF Battin-LeclercGuy MarinKevin Van Geem

From ideal gas to relevant three-phase conditions in hydrodenitrogenation reactions and reactors

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

From microkinetic understanding to industrial reactor simulation for Fischer-Tropsch synthesis

Joris ThybautJonas Van BelleghemGuy Marin

Full furnace simulations and optimization with coilsim1d

Alexander VervustIsmaël AmghizarAE MunozKevin Van GeemGuy Marin

Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates

Paschalis ParaskevasMaarten SabbeMarie-Françoise ReyniersNG PapayannakosGuy Marin

A1 Journal Article in AICHE JOURNAL

Hydrodenitrogenation kinetics according to single-event methodology

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

Hydrogen and carbon monoxide production by chemical looping over iron-aluminium oxides

Liisa K Rihko-StruckmannPradyot DattaMarcus WenzelKai SundmacherNaga Venkata Ranga Aditya DharanipragadaHilde PoelmanVladimir GalvitaGuy Marin

A1 Journal Article in ENERGY TECHNOLOGY

Implementation of stereochemistry in automatic kinetic model generation

Nick VandewieleRuben Van de VijverHans-Heinrich CarstensenKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

In silico based design of nitroxide mediated polymerization: from homopolymers to sequence controlled polymers

Stijn FierensPaul Van SteenbergeSofia TelitelMarie-Françoise ReyniersJean - François LutzDagmar D'hoogeGuy Marin

In situ performance of various metal doped catalysts in micro-pyrolysis and continuous fast pyrolysis

Güray YildizFrederik RonsseJop VercruysseJalle DaelsHilal Ezgi ToramanKevin Van GeemGuy MarinRuben Van DurenWolter Prins

A1 Journal Article in FUEL PROCESSING TECHNOLOGY

Insights into the reaction mechanism of ethanol conversion into hydrocarbons on H-ZSM-5

Kristof Van der BorghtRakesh BatchuVladimir GalvitaKonstantinos AlexopoulosMarie-Françoise ReyniersJoris ThybautGuy Marin

A1 Journal Article in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Insights on bioethanol to hydrocarbons conversion over ZSM-5 zeolite by a transient technique

Rakesh BatchuKristof Van der BorghtVladimir GalvitaGuy Marin

Joint kinetics : a new kinetic strategy for heterogeneous catalysis

Daniel Branco PintoGrigoriy YablonskyGuy MarinVladimir GalvitaEvgeniy RedekopDenis Constales

Joint kinetics: New relationships between thermodynamic and kinetic characteristics

Grigoriy YablonskyDenis ConstalesDaniel Branco PintoVladimir GalvitaEvgeniy RedekopGuy Marin

Kinetic assessment of dry reforming of methane on Pt + Ni containingcomposite of fluorite-like structure

LN BobrovaAS BobinNV MezentsevaVA SadykovJoris ThybautGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Kinetics of multi-step redox processes by time-resolved In situ X-ray diffraction

Lukas BuelensVladimir GalvitaHilde PoelmanChristophe DetavernierGuy Marin

A1 Journal Article in CHEMIE INGENIEUR TECHNIK

Large Eddy Simulation of Enhanced 3D Pyrolysis Reactors

Pieter ReyniersPieter PlehiersDavid Van CauwenbergeKevin Van GeemGuy Marin

Mechanisms of Eddy Formation in swirling flows

Vladimir ShternGuy Marin

Mechanistic Study of of Zeolite Catalyzed Dehydration of Bio-alcohols: Density Functional Theory and Microkinetic Analysis

Methane steam reforming unraveled by the MicroKinetic Engine, a user-friendly kinetic modeling tool

Brigitte DevochtKenneth TochN KageyamaSeyyedeh Naghmeh FatemiST OyamaGuy MarinJoris Thybaut

Microkinetic model validation for the Fischer - tropsch synthesis based on transient experiments

Jonas Van BelleghemC Ledesma RodriguezJ YangD ChenJoris ThybautGuy Marin

Microkinetics assisted analysis of hydrotreating selectivities in fast pyrolysis oil upgrading

Daria OtyuskayaAlexandra BouriakovaJoris ThybautGuy Marin

Model-based design of homogeneous MADIX/RAFT polymerization of styrene

Dries DevlaminckLies De KeerPaul Van SteenbergeMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

Model-based design to push the boundaries of sequence control

Stijn FierensSofia TelitelPaul Van SteenbergeMarie-Françoise ReyniersGuy MarinJean-François LutzDagmar D'hooge

A1 Journal Article in MACROMOLECULES

Modeling of monomer sequences along copolymer chains

Dagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Bookchapter in Online reference database chemistry, molecular sciences and chemical engineering

Multi-objective optimization of feeding rates and temperature program for nitroxide mediated (co)polymerization of styrene and n-butyl acrylate

Paul Van SteenbergeStijn FierensMarie-Françoise ReyniersDagmar D'hoogeGuy Marin

Multiscale aspects in hydrocracking : from reaction mechanism over catalysts to kinetics and industrial application

Joris ThybautGuy Marin

A1 Journal Article in ADVANCES IN CATALYSIS

Novel Fe-promoted MgAl2O4 support material for control of carbon deposition during reforming reactions

Stavros-Alexandros TheofanidisJ De JongNaga Venkata Ranga Aditya DharanipragadaVladimir GalvitaHilde PoelmanGuy Marin

Numerical and Experimental Study of Secondary Flow Features in a Gas Vortex Unit

Maria del Mar Torregrosa GalindoKaustav NiyogiMaria PantzaliGeraldine HeynderickxGuy Marin

Numerical investigation of process intensification of biomass fast pyrolysis in a gas-solid vortex reactor

Shekhar KulkarniLaurien VandewalleArturo González QuirogaPieter ReyniersKevin Van GeemGuy Marin

On-line analysis of nitrogen containing compounds in complex hydrocarbon matrixes

Nenad RisticMR DjokicKevin Van GeemGuy Marin

A1 Journal Article in JOVE-JOURNAL OF VISUALIZED EXPERIMENTS

One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation

Matthias FilezEvgeniy RedekopHilde PoelmanVladimir GalvitaM MeledinaS TurnerG Van TendelooChristophe DetavernierGuy Marin

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY

Oxidative coupling of methane : opportunities for microkinetic model-assisted process implementations

Ana ObradovićJoris ThybautGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING & TECHNOLOGY

Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt

Stephanie SaerensMaarten SabbeVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt

Stephanie SaerensMaarten SabbeVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Potential of genetically engineered hybrid poplar for pyrolytic production of bio-based phenolic compounds

Hilal Ezgi ToramanRuben VanholmeEleonora BorénYumi VanwonterghemMarko DjokicGüray YildizFrederik RonsseWolter PrinsWout BoerjanKevin Van Geem et al.

A1 Journal Article in BIORESOURCE TECHNOLOGY

Pyridine hydrodenitrogenation kinetics over a sulphided NiMo/γ-Al2O3 catalyst

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

A1 Journal Article in FUEL

Pyrolysis kinetics of fossil and renewable fuels

Marko DjokicKevin Van GeemGuy Marin

Quantitative analysis of nitrogen containing compounds in micro-algae based bio-oil using GC × GC – NCD/TOF-MS

Hilal Ezgi ToramanKristina FranzNeil PrihartoGüray YildizFrederik RonsseWolter PrinsKevin Van GeemGuy Marin

Quantitative analysis of nitrogen containing compounds in microalgae based bio-oils using comprehensive two-dimensional gas-chromatography coupled to nitrogen chemiluminescence detector and time of flight mass spectrometer

Hilal Ezgi ToramanKristina FranzFrederik RonsseKevin Van GeemGuy Marin

A1 Journal Article in JOURNAL OF CHROMATOGRAPHY A

Quantitative first principles based kinetic modeling for the synthesis of well-defined macromolecular architectures

Gilles DesmetDagmar D'hoogeMaarten SabbeGuy MarinMarie-Françoise Reyniers

Quantitative first-principles kinetic modeling of the aza-Michael addition to acrylates in polar aprotic solvents

Gilles DesmetDagmar D'hoogePinar Sinem OmurtagPieter EspeelGuy MarinFilip Du PrezMarie-Françoise Reyniers

A1 Journal Article in JOURNAL OF ORGANIC CHEMISTRY

Quantitative screening of an extended oxidative coupling of methane catalyst library

Vaios AlexiadisM. ChaarA. van VeenM. MuhlerJoris ThybautGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Rate-reactivity model: a new theoretical basis for systematic kinetic characterization of heterogeneous catalysts

Grigoriy YablonskyEvgeniy RedekopDenis ConstalesJT GleavesGuy Marin

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Role of anharmonicity in the confinement effect in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5

M-S LeeKonstantinos AlexopoulosY LiuY ZhiYS LiuMarie-Françoise ReyniersGuy MarinV-A GlezakouR RousseauJA Lercher

Semi-empirical drag correlation for a Gas Solid Vortex Reactor starting from the radial momentum balances

Maximilian FriedleKaustav NiyogiMaria del Mar Torregrosa GalindoGeraldine HeynderickxGuy Marin

Single event microkinetic modeling of lignin fast pyrolysis: a study on anisole as model compound

Sri Bala GorugantuRuben De BruyckerHans-Heinrich CarstensenKevin Van GeemGuy Marin

Steam cracking of biomass-derived normal and branched alkanes

Ruben De BruyckerIsmaël AmghizarT. NymanM. HakolaGuy MarinKevin Van Geem

Super-dry reforming of methane intensifies CO2 utilization via Le Chatelier's principle

Lukas BuelensVladimir GalvitaHilde PoelmanChristophe DetavernierGuy Marin

A1 Journal Article in SCIENCE

Synergy and antagonism in bifunctional heterogeneously catalyzed ethene oligomerization

Kenneth TochJoris ThybautVladimir GalvitaMA ArribasA MartinezGuy Marin

The mechanism of carbon gasification over a Fe-Ni catalyst after methane dry reforming

Stavros-Alexandros TheofanidisRakesh BatchuVladimir GalvitaHilde PoelmanGuy Marin

The power of reverse phase comprehensive 2D GC for oxygentate analysis in shale oils (Invited Lecture)

Nenad RisticMarko DjokicKevin Van GeemGuy Marin

The role of CO2 in the dehydrogenation of propane over WOx-VOx/SiO2

Isabelle AscoopVladimir GalvitaKonstantinos AlexopoulosMarie-Françoise ReyniersPascal Van Der VoortVitaliy BliznukGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

The role of hydrogen during Pt-Ga nanocatalyst formation

Matthias FilezEvgeniy RedekopVladimir GalvitaHilde PoelmanM MeledinaS TurnerG Van TendelooAT BellGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The strength of multi-scale modeling to unveil the complexity of radical polymerization

Dagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in PROGRESS IN POLYMER SCIENCE

Thermal decomposition of sulfur compounds and their role in coke formation during steam cracking of heptane

Natália OlahováRuben Van de VijverNenad RisticGuy MarinMarie-Françoise ReyniersKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING & TECHNOLOGY

Three-component solids velocity measurements in the outlet section of a riser

Maria PantzaliJavier Marques de MarinoGuy MarinGeraldine Heynderickx

A1 Journal Article in AICHE JOURNAL

Ti-base alloy coking behavior during steam cracking of ethane

Stamatis SarrisMarie-Françoise ReyniersKevin Van GeemGuy Marin

Towards a better understanding and control of catalytic reactions in the conversion of renewable resources

Brigitte DevochtKenneth TochJoris ThybautGuy Marin

Understanding and Optimization of Chemical Reactor Performance for Bimodal Reaction Sequences

Jeroen PoissonnierJoris ThybautGuy Marin

Unravelling the role of cyclopentadiene and hexadiene in the formation of aromatics

Florence VermeireKevin Van GeemRuben De BruyckerO HerbinetHans-Heinrich CarstensenF Battin-LeclercSS MershantWH GreenGuy Marin

Zeolite catalysed conversion of alcohols to hydrocarbons: from molecular to industrial scale

Marie-Françoise ReyniersGuy Marin

2015

A combined experimental and modeling study of the nitroxide mediated polymerization of styrene initiated by BlocBuilderTM

Stijn FierensDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

A comparative study of RAFT polymerization of n-butyl acrylate under microflow and batch conditions

Pieter DerbovenPaul Van SteenbergeJ VandenberghMarie-Françoise ReyniersT JunkersDagmar D'hoogeGuy Marin

A comparison of acrylate kinetics in batch and microreactors under RAFT solution polymerization conditions

Pieter DerbovenPaul Van SteenbergeJ VandenberghMarie-Françoise ReyniersT JunkersDagmar D'hoogeGuy Marin

A density functional theory study of alumina atomic layer deposition on alumina and silica

Aditya Shankar SandupatlaGuy MarinMarie-Françoise Reyniers

A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate

Nils De RybelPieter DerbovenPaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate

Nils De RybelPieter DerbovenPaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A multi-scale modelling platform applied towards fischer tropsch synthesis on Fe catalysts

José Guillermo Rivera de la CruzMarie-Françoise ReyniersGuy Marin

A new class of antimicrobial biosurfactants: quaternary ammonium sophorolipids

Elisabeth DelbekeBart RomanGuy MarinKevin Van GeemChristian Stevens

A1 Journal Article in GREEN CHEMISTRY

A new group additive kinetic model for pyrolysis of C2-C4 hydrocarbons

Muralikrishna KhandavilliKevin Van GeemRuben Van de VijverGuy Marin

A novel 4-dimensional modeling strategy for optimization of NMP mini- and microemulsion

Dagmar D'hoogePaul Van SteenbergeS GeorgeMarie-Françoise ReyniersMF CunninghamGuy Marin

A single-event microkinetic model for the cobalt catalyzed Fischer-Tropsch synthesis

Jonas Van BelleghemJoris ThybautD. ChenGuy Marin

A systematic methodology for kinetic modeling of chemical reactions applied to n-Hexane hydroisomerization

Kenneth TochJoris ThybautGuy Marin

A1 Journal Article in AICHE JOURNAL

A systematic study of radical addition reactions to substituted benzenes reverse beta-scission reactions

Hans-Heinrich CarstensenKevin Van GeemMarie-Françoise ReyniersGuy Marin

A theoretical study of standard heat of formation of systems involving in the zinc reduction of silicon tetrachloride

Ahmed DkhissiMarie-Françoise ReyniersGuy Marin

A1 Journal Article in THEORETICAL CHEMISTRY ACCOUNTS

Ab initio investigation of surface chemistry of alumina ALD on hydroxylated γ-alumina surface

Aditya Shankar SandupatlaKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Abstraction from weak C-H Bond of ortho/paramethylcyclohexadienone isomers critical in improving product distribution in anisole pyrolysis

Yogesh KoiralaStephanie VillanoAnthony DeanHans-Heinrich CarstensenMarie-Françoise ReyniersGuy Marin

Acidity of H-ZSM-5 and H-FAU as a function of Si/Al ratio

Martin PurinoKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

Adsorption thermodynamics of C1–C4 alcohols in H–FAU, H–MOR, H–ZSM–5 and H–ZSM–22

Cuong Manh NguyenMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Advanced characterisation of bio feedstocks and Hydrotreating of fast pyrolysis oil

Daria OtyuskayaKevin Van GeemJoris ThybautGuy Marin

Advanced elemental characterization during Pt-In catalyst formation by wavelet transformed X-ray absorption spectroscopy

Matthias FilezEvgeniy RedekopHilde PoelmanVladimir GalvitaGuy Marin

A1 Journal Article in ANALYTICAL CHEMISTRY

Advances in chemical engineering 46: mesoscale modeling in chemical engineering-part I

Advances in chemical engineering 47: mesoscale modeling in chemical engineering-part II

Alternative design of Pt-based catalysts : an X-ray spectroscopic view

Matthias FilezGuy MarinChristophe Detavernier

An experimental and theoretical study of cyclopentadiene-ethene co-pyrolysis: growth of polycyclic aromatic hydrocarbons

Marko DjokicAäron VandeputteSS MerchantWH GreenKevin Van GeemGuy Marin

Assessment of catalytic performance for oxidative coupling of methane via comprehensive microkinetic modelling

Vaios AlexiadisM ChaarA Van VeenJoris ThybautGuy Marin

Assessment of the dominant factors in Cu catalyst deactivation in glycerol hydrogenolysis

Tapas RajkhowaJoris ThybautGuy Marin

Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges

Ruben Van de VijverNick VandewielePL BhoorasinghBL SlakmanFS KhanshanMarie-Françoise ReyniersGuy MarinR WestKevin Van Geem

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Bio-butanol dehydration in zeolites: mechanistic insights from DFT-based microkinetic modeling

Mathew JohnKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

Bridging the gap between kinetics in gas phase and non-ideal liquids exhibiting pronounced polarity effects

Jeroen LauwaertJoris ThybautGuy Marin

Carbon gasification from Fe-Ni catalysts for methane dry reforming

Stavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanGuy Marin

Catalyis for renewable resources: bioalcohol conversion

Guy MarinMarie-Françoise Reyniers

Catalyis for renewable resources: bioalcohol conversion

Marie-Françoise ReyniersGuy Marin

Catalyst-assisted chemical looping for CO2 conversion to CO

Vladimir GalvitaHilde PoelmanChristophe DetavernierGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic coating for reduced coke formation in steam cracking reactors

Carl SchietekatStamatis SarrisPieter ReyniersL KoolW PengP LucasKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Catalytic conversion of bioalcohols: from first principles to industrial scale

Catalytic conversion of bioalcohols: from first principles to industrial scale

Marie-Françoise ReyniersGuy Marin

CFD-based design of 3D pyrolysis reactors

David Van CauwenbergeKevin Van GeemGuy Marin

CFD-based design of 3D pyrolysis reactors: RANS vs. LES

David Van CauwenbergeCarl SchietekatJens FloréKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Characterisation studies of waste bio-deroved feedstock

C MichailofEF IliopoulouAA LappasHilal Ezgi ToramanJoris ThybautKevin Van GeemGuy Marin

Chemical reaction eEngineering at the Laboratory for Chemical Technology (LCT) of Ghent University

Chemical reaction engineering for catalytic process design

CO2 capture and conversion by combined chemical looping

Lukas BuelensNaga Venkata Ranga Aditya DharanipragadaVladimir GalvitaHilde PoelmanGuy Marin

José Guillermo Rivera de la CruzMarie-Françoise ReyniersGuy Marin

José Guillermo Rivera de la CruzMarie-Françoise ReyniersGuy Marin

Combined chemical looping for CO2 conversion

Lukas BuelensNaga Venkata Ranga Aditya DharanipragadaHilde PoelmanVladimir GalvitaGuy Marin

Combined chemical looping for energy storage and conversion

Vladimir GalvitaHilde PoelmanGuy Marin

A1 Journal Article in JOURNAL OF POWER SOURCES

Commensurability versus hierarchy in Chemical Kinetics

Grigoriy YablonskyDenis ConstalesGuy Marin

Comprehensive compositional analysis of sulfur and nitrogen containing compounds in shale oil using GC × GC – FID/SCD/NCD/TOF-MS

Thomas DijkmansMarko DjokicKevin Van GeemGuy Marin

A1 Journal Article in FUEL

Computational fluid dynamics based design of steam cracking reactors

David Van CauwenbergeKevin Van GeemJ FloréGuy Marin

Computational fluid dynamics-based design of steam cracking reactors

Carl SchietekatKevin Van GeemGuy Marin

Computational study and kinetic analysis of the aminolysis of thiolactones

Gilles DesmetDagmar D'hoogeMaarten SabbeGuy MarinFilip Du PrezPieter EspeelMarie-Françoise Reyniers

A1 Journal Article in JOURNAL OF ORGANIC CHEMISTRY

Computational study of the aminolysis of thiolactones

Gilles DesmetDagmar D'hoogePieter EspeelGuy MarinFilip Du PrezMarie-Françoise Reyniers

Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts

Stephanie SaerensMaarten SabbeVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts

Stephanie SaerensMaarten SabbeVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Design a novel material for catalyst-assisted chemical looping process

Jiawei HuVladimir GalvitaGuy Marin

Design of cooperative acid-base catalysts for aldol condensations

Jeroen LauwaertJoris ThybautGuy Marin

Design of Pt-based catalysts for the catalytic dehydrogenation of propane

Stephanie SaerensMaarten SabbeMarie-Françoise ReyniersGuy Marin

DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface

Aditya Shankar SandupatlaKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

DFT-based modeling of benzene hydrogenation on Pt at industrially relevant coverage

Maarten SabbeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

DFT-based modeling of benzene hydrogenation on Pt at industrially representative coverage

Maarten SabbeMarie-Françoise ReyniersGuy Marin

Driving on wood! Wood waste valorization for biofuel production

Alexandra BouriakovaDaria OtyuskayaJoris ThybautGuy Marin

Droplet-wall interaction upon impingement of heavy hydrocarbon droplets on a heated wall

Amit MahulkarGuy MarinGeraldine Heynderickx

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Effects of amine structure and base strength on acid-base cooperative aldol condensation

Jeroen LauwaertEls De CanckMaria Dolores Esquivel MerinoPascal Van Der VoortJoris ThybautGuy Marin

A1 Journal Article in CATALYSIS TODAY

Enhanced carbon-resistant dry reforming Fe-Ni catalyst: role of Fe

Stavros-Alexandros TheofanidisVladimir GalvitaHilde PoelmanGuy Marin

A1 Journal Article in ACS CATALYSIS

Enhancing catalyst development by intrinsic kinetics screening and modeling

Joris ThybautKristof Van der BorghtKenneth TochVladimir GalvitaGuy Marin

Ethanol conversion to hydrocarbons on HZSM-5: reaction Mechanism Elucidation Via Steady State and Transient Experiments

Kristof Van der BorghtRakesh BatchuAnton De VylderJoris ThybautVladimir GalvitaGuy Marin

Ethanol to higher hydrocarbons over Ni, Ga, Fe-modified ZSM-5: effect of metal content

Kristof Van der BorghtVladimir GalvitaGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Ethanol to hydrocarbons over ZSM-5 catalyst: evidenced mechanism from real time transient reaction studies

Rakesh BatchuVladimir GalvitaGuy Marin

Ethene oligomerization on Ni-SiO2-Al2O3: experimental investigation and single-event microKinetic modeling

Kenneth TochJoris ThybautGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Experimental and computational study of the initial decomposition of gamma-valerolactone

Ruben De BruyckerHans-Heinrich CarstensenJ SimmieKevin Van GeemGuy Marin

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

Experimental study of catalytic coating for reduced coke formation

Stamatis SarrisCarl SchietekatL KoolW PengP LucasKevin Van GeemGuy Marin

Exploring the full potential of reversible deactivation radical polymerization using pareto-optimal fronts

Stijn FierensDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in POLYMERS

Fast pyrolysis of lignocellulosic biomass: design and construction of a micro-pyrolysis setup for intrinsic kinetic measurements

Hilal Ezgi ToramanHans-Heinrich CarstensenKevin Van GeemGuy Marin

Fast pyrolysis oil hydrodeoxygenation kinetics using lignin-derived model compounds

Alexandra BouriakovaDaria OtyuskayaJoris ThybautGuy Marin

Fast pyrolysis oil hydrotreating

Daria OtyuskayaJoris ThybautGuy Marin

Fast pyrolysis oil hydrotreating

Daria OtyuskayaJoris ThybautGuy Marin

First principles‐based design of 3D pyrolysis reactors

David Van CauwenbergePieter Reyniersjens floréKevin Van GeemGuy Marin

First-principles based group additivity values for thermochemical properties of substituted aromatic compounds

Alper InceHans-Heinrich CarstensenMarie-Françoise ReyniersGuy Marin

First-principles based group additivity values for thermochemical properties of substituted aromatic compounds

Alper InceHans-Heinrich CarstensenMarie-Françoise ReyniersGuy Marin

A1 Journal Article in AICHE JOURNAL

Fischer-Tropsch Synthesis SSITKA simulation: balancing between model complexity, computational effort and relevance of the included features

Jonas Van BelleghemJoris ThybautGuy Marin

Furnace firing control: the key to extending your runlength

Alexander VervustYu ZhangF QianPieter ReyniersCarl SchietekatKevin Van GeemGuy Marin

Gas-liquid hold-up and mass transfer in a Robinson-Mahoney three phase bench scale reactor

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

Gas-Liquid hold-up and mass transfer in a Robinson-Mahoney three phase bench scale reactor at industrially relevant conditions

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

Green’ Propylene glycol: kinetic determination for the valorization of biodiesel side stream

Tapas RajkhowaJoris ThybautGuy Marin

Group additive kinetics for hydrogen transfer between oxygenates

Paschalis ParaskevasMaarten SabbeMarie-Françoise ReyniersN papayannakosGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Guidelines for selecting gas-solid vortex reactor operating conditions based on hydrodynamic characteristics

Maria PantzaliJelena KovacevicGeraldine HeynderickxGuy Marin

How to apply the method of moments for polymerization reactions to Fischer Tropsch Synthesis (FTS)?

Luis Alberto Lozano GuerraJoris ThybautGuy Marin

Impact of flue gas radiative properties and burner geometry in furnace simulations

Yu ZhangCarl SchietekatQ fengKevin Van GeemGuy Marin

A1 Journal Article in AICHE JOURNAL

Impact of H2 addition on formation of PAH during anisole pyrolysis

Yogesh KoiralaStephanie VillanoAnthony DeanHans-Heinrich CarstensenMarie-Françoise ReyniersGuy Marin

Impact of radiation models in coupled simulations of steam cracking furnaces and reactors

Guihua HuCarl SchietekatYu ZhangF QianGeraldine HeynderickxKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Implementation of stereochemistry in automatic kinetic model generation

Nick VandewieleRuben Van de VijverKevin Van GeemMarie-Françoise ReyniersGuy Marin

Improved livingness and control over branching in RAFT polymerization of acrylates : could microflow synthesis make the difference?

Pieter DerbovenPaul Van SteenbergeJoke VandenberghMarie-Françoise ReyniersThomas JunkersDagmar D'hoogeGuy Marin

Improved livingness and control over branching in RAFT polymerization of acrylates: could microflow synthesis make the difference?

Pieter DerbovenPaul Van SteenbergeJoke VandenberghMarie-Françoise ReyniersThomas JunkersDagmar D'hoogeGuy Marin

A1 Journal Article in MACROMOLECULAR RAPID COMMUNICATIONS

Improved mechanistic insights into radical sulfinyl precursor MDMO-PPV synthesis by combining microflow technology and computer simulations

Neomy ZaquenPaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy MarinJoke VandenberghLaurence LutsenDirk JM VanderzandeThomas Junkers

A1 Journal Article in MACROMOLECULES

Improved simulation of miniemulsion NMP of acrylates: relevance of partitioning and short chain branch formation

Dagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersMF CunninghamGuy Marin

Improving laboratory reactors: computational fluid dynamics and detailed chemical kinetics

Pieter ReyniersCarl SchietekatStamatis SarrisKevin Van GeemGuy Marin

Independence of the final catalyst activity profile on the details of reactant admission

Denis ConstalesGrigoriy YablonskyGuy Marin

A1 Journal Article in MATHEMATICAL MODELLING OF NATURAL PHENOMENA

Information-driven catalyst design based on high-throughput intrinsic kinetics

Kristof Van der BorghtKenneth TochVladimir GalvitaJoris ThybautGuy Marin

A1 Journal Article in CATALYSTS

Kinetic modeling of jet propellant-10 pyrolysis

Nick VandewieleGR MagoonKevin Van GeemMarie-Françoise ReyniersWH GreenGuy Marin

A1 Journal Article in ENERGY & FUELS

Kinetic Monte Carlo optimization of reactant feed control toward tailored gradient copolymers

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Kinetic study of the Aminolysis of Thiolactones

Gilles DesmetDagmar D'hoogeMaarten SabbeGuy MarinFilip Du PrezPieter EspeelMarie-Françoise Reyniers

LCT Pilot plant for steam cracking

Kevin Van GeemGuy Marin

Local environment of Fe dopants in nanoscale Fe: CeO2-x oxygen storage material

M MeledinaS TurnerVladimir GalvitaHilde PoelmanGuy MarinG Van Tendeloo

A1 Journal Article in NANOSCALE

MAMA-SG1 initiated nitroxide mediated polymerization of styrene: from Arrhenius parameters to model-based design

Stijn FierensDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Maximizing n-Alkane hydroisomerization: the interplay of phase, feed complexity and zeolite catalyst mixing

Bart VandegehuchteJoris ThybautJohan MartensGuy Marin

A1 Journal Article in CATALYSIS SCIENCE & TECHNOLOGY

Methane reforming over Ni-Fe/MgAl2O4 catalysts

Stavros-Alexandros TheofanidisVladimir GalvitaGuy Marin

Mg-Fe-Al-O as novel oxygen storage material for CO2 utilization

Naga Venkata Ranga Aditya DharanipragadaLukas BuelensVladimir GalvitaHilde PoelmanGuy Marin

Mg-Fe-Al-O for advanced CO2 to CO conversion: carbon monoxide yield vs. oxygen storage capacity

Naga Venkata Ranga Aditya DharanipragadaLukas BuelensHilde PoelmanEddy De GraveVladimir GalvitaGuy Marin

A1 Journal Article in JOURNAL OF MATERIALS CHEMISTRY A

Microkinetic evaluation of normal and inverse kinetic isotope effects during methane steam reforming to synthesis gas over a Ni/NiAl2O4 model catalyst

C SprungPanagiotis KechagiopoulosJoris ThybautB ArstadU OlsbyeGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Microkinetic model development for oxidative coupling of methane (Keynote Speaker)

Ana ObradovićJoris ThybautGuy Marin

Microkinetic model for the pyrolysis of methyl esters: from model compound to industrial biodiesel

Ruben De BruyckerSteven PylMarie-Françoise ReyniersKevin Van GeemGuy Marin

A1 Journal Article in AICHE JOURNAL

Microkinetics assisted analysis of hydrotreating selectivities in fast pyrolysis oil upgrading

Daria OtyuskayaR LodengJoris ThybautGuy Marin

Microkinetics for toluene total oxidation over CuO–CeO2/Al2O3

Unmesh MenonVladimir GalvitaDenis ConstalesKonstantinos AlexopoulosGrigoriy YablonskyGuy Marin

A1 Journal Article in CATALYSIS TODAY

Model-based design of the polymer microstructure : bridging the gap between polymer chemistry and engineering

Dagmar D'hoogePaul Van SteenbergePieter DerbovenMarie-Françoise ReyniersGuy Marin

Model-based design of the polymer microstructure: bridging the gap between polymer chemistry and engineering

Dagmar D'hoogePaul Van SteenbergePieter DerbovenMarie-Françoise ReyniersGuy Marin

A1 Journal Article in POLYMER CHEMISTRY

Molecular dynamics study of ethanol adsorption and protonation in H-ZSM-5

Konstantinos AlexopoulosM-S LeeMarie-Françoise ReyniersGuy MarinV-A GlezakouR RousseauJA Lercher

Nature of deactivation for Fe2O3-CeO2 materials in CO2 utilization processes

Naga Venkata Ranga Aditya DharanipragadaM MeledinaS TurnerVladimir GalvitaHilde PoelmanG TendelooGuy Marin

Necessity and feasibility of 3D simulations of steam cracking reactors

Pieter ReyniersCarl SchietekatDavid Van CauwenbergeLaurien VandewalleKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

New patterns in steady-state chemical kinetics: intersections, coincidences, map of events (two-step mechanism)

Daniel Branco PintoGrigoriy YablonskyGuy MarinDenis Constales

A1 Journal Article in Entropy

New types of complexity in chemical kinetics: intersections, coincidences and special symmetrical relationships

Grigoriy YablonskyDenis ConstalesGuy Marin

A1 Journal Article in Advances in Chemical Physics

Nitroxide mediated polymerization of styrene: from Arrhenius parameters to NMP kinetics and explicit visualization of microstructure

Stijn FierensDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Novel heuristics for mediating radical chain reactions: a stochastic simulation of the synthesis of copolymers with tailored monomer sequences

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Numerical simulations of steam cracking test furnace using detailed combustion mechanism for CO and NOx emission

Yu ZhangCarl SchietekatDavid Van CauwenbergePieter ReyniersKevin Van GeemM HennekeF QianGuy Marin

Precise kinetic measurements and spatial uniformity of catalytic beds

S.M. PietrzykEvgeniy RedekopGrigoriy YablonskyGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Predicting kinetic dependences and closing the balance: Wei and Prater revisited

Denis ConstalesGregory S YablonskyGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Pt-Ga catalyst formation studied with in situ XAS using Fourier and wavelet transformed analysis

Matthias FilezHilde PoelmanEvgeniy RedekopVladimir GalvitaChristophe DetavernierGuy Marin

Pyrolysis and combustion chemistry of tetrahydropyran: experimental and modeling study

Luc Sy TranRuben De BruyckerHans-Heinrich CarstensenP-A GlaudeF MongeMU AlzuetaCM MartinF Battin-LeclercKevin Van GeemGuy Marin

A1 Journal Article in COMBUSTION AND FLAME

Radial pressure profiles in a cold-flow gas-solid vortex reactor

Maria PantzaliJelena KovacevicVladimir ShternGeraldine HeynderickxGuy Marin

A1 Journal Article in AICHE JOURNAL

Rate-reactivity model (RRM): a new basis for non-steady-state kinetic characterization of heterogeneous catalysts

Grigoriy YablonskyEvgeniy RedekopDenis ConstalesJT GleavesGuy Marin

Reaction path analysis for 1-butanol dehydration in H-ZSM-5 zeolite: ab initio and microkinetic modeling

Mathew JohnKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Recent advances (and continuing challenges) in combustion chemistry

WH GreenSS MerchantAäron VandeputteCW GaoNick VandewieleNW YeeMarko DjokicKevin Van GeemGuy Marin

Rule-based ab initio kinetic model for alkyl sulfide pyrolysis

Ruben Van de VijverN.M. VandewieleAäron VandeputteKevin Van GeemMarie-Françoise ReyniersW.H. GreenGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Selective etherification of beta-citronellene catalyzed by zeolite beta

S RadhakrishnanMartin PurinoKonstantinos AlexopoulosF TaulelleMarie-Françoise ReyniersGuy MarinJA Martens

A1 Journal Article in GREEN CHEMISTRY

Solids velocity fields in a cold-flow Gas-Solid Vortex Reactor

Jelena KovacevicMaria PantzaliKaustav NiyogiNiels DeenGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Spatial arrangement and acid strength effects on acid-base cooperatively catalyzed aldol condensation on aminosilica materials

Jeroen LauwaertEric G MoschettaPascal Van Der VoortJoris ThybautChristopher W JonesGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Steam reforming and carbon formation over Ni-Fe-(Pd)/MgAl2O4 catalysts

Stavros-Alexandros TheofanidisVladimir GalvitaGuy Marin

Strength of model-based design for the synthesis of well-defined macromolecular architectures via a radical mechanism

Dagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Structure, adsorption free energy, and spectroscopy of ethanol in HZSM-5

M-S LeeKonstantinos AlexopoulosY LiuY ZhiYS LiuMarie-Françoise ReyniersGuy MarinVA GlezakouR RousseauJA Lercher

Sustainable conversion of biomass oxygenates : ab initio based model simulation

Paschalis ParaskevasMarie-Françoise ReyniersGuy MarinNikolaos G Papayannakos

Symmetry calculation for molecules and transition states

Nick VandewieleRuben Van de VijverKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF COMPUTATIONAL CHEMISTRY

Temperature-programmed vs. isothermal pulsed oxidation of graphene formed on Pt/Mg(Al)Ox dehydrogenation catalysts

Evgeniy RedekopIsabel Prieto GonzálezVladimir GalvitaGuy Marin

The long and the short of radical polymerization

Pieter DerbovenDagmar D'hoogeMarie-Françoise ReyniersGuy MarinC Barner-Kowollik

A1 Journal Article in MACROMOLECULES

The nature of vortex breakdown

Vladimir ShternGuy Marin

The strength of model-based design for nitroxide mediated polymerization

Dagmar D'hoogeStijn FierensPaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

The switching point between kinetic and thermodynamic control

Daniel Branco PintoGregory YablonskyGuy MarinDenis Constales

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Thermal fouling of heat exchanger tubes due to heavy hydrocarbon droplets impingement

Pieter VerheesAmit MahulkarKevin Van GeemGuy Marin

Three-component particle velocity measurements in the bottom section of a riser

Maria PantzaliBart De CeusterGuy MarinGeraldine Heynderickx

A1 Journal Article in INTERNATIONAL JOURNAL OF MULTIPHASE FLOW

Towards automated mechanism generation of lignin pyrolysis models: development of Group Additivity parameters for aromatic species

Hans-Heinrich CarstensenAlper InceMarie-Françoise ReyniersGuy Marin

Tuning the physisorption properties of amino acid functionalized (Organo)silicas

Jeroen LauwaertMaria Dolores Esquivel MerinoPascal Van Der VoortJoris ThybautGuy Marin

Uncovering the formation of Pt-Ga catalysts by wavelet transformed in situ XAS

Matthias FilezEvgeniy RedekopHilde PoelmanVladimir GalvitaM MeledinaS TurnerG Van TendelooGuy Marin

Understanding the decomposition of sulfur compounds during steam cracking

Natália OlahováMarko DjokicStamatis SarrisRuben Van de VijverNenad RisticMarie-Françoise ReyniersKevin Van GeemGuy Marin

Unraveling the reaction mechanism of bioethanol conversion to hydrocarbons on H-ZSM-5

Kristof Van der BorghtJoris ThybautVladimir GalvitaGuy Marin

Unraveling the role of sulfur components on coke formation during steam cracking: kinetic modeling and validation

Natália OlahováMarko DjokicRuben Van de VijverKevin Van GeemGuy Marin

Vanadium decorated mesoporous supporting materials for catalysis of oxidation reactions

Isabelle AscoopVladimir GalvitaGuy MarinPascal Van Der Voort

Volume-to-Surface ratio effects on methane oxidative coupling

Vaios AlexiadisJoris ThybautT SerresY SchuurmanC MirodatosGuy Marin

Wavelet-based XAS as a tool to disclose mechanistic insight into Pt-In catalyst formation

Matthias FilezHilde PoelmanEvgeniy RedekopVladimir GalvitaGuy Marin

When the final catalyst activity profile depends only on the total amount of admitted substance: theoretical proof

Denis ConstalesGregory S. YablonskyPhungphai PhanawadeeNattapong PongboutrJumras LimtrakulGuy Marin

A1 Journal Article in AICHE JOURNAL

2014

4-dimensional modeling strategy for an improved understanding of miniemulsion NMP of acrylates initiated by SG1-macroinitiator

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy MarinM.F. Cunningham

A1 Journal Article in MACROMOLECULES

A novel technology for natural gas conversion by means of integrated oxidative coupling and dry reforming of methane

Joris ThybautGuy MarinC MirodatosY SchuurmanAC Van VeenV SadykovH PennemanR BellinghausenL Mleczko

A1 Journal Article in CHEMIE INGENIEUR TECHNIK

A Single-Event MicroKinetic assessment of n-alkane hydroconversion on ultrastable Y zeolites after atomic layer deposition of alumina

Bart VandegehuchteJoris ThybautChristophe DetavernierDavy DeduytscheJolien DendoovenJA MartensSP SreeTI KorányiGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Acid strength effects on acid-base cooperative aldol condensation

Jeroen LauwaertPascal Van Der VoortJoris ThybautGuy MarinEG MoschettaCW Jones

Advances in chemical engineering

An experimental and kinetic modeling study of cyclopentadiene pyrolysis: first growth of polycyclic aromatic hydrocarbons

Marko DjokicKevin Van GeemC CavallottiA FrassoldatiE RanziGuy Marin

A1 Journal Article in COMBUSTION AND FLAME

An intrinsic kinetics based methodology for multi-scale modeling of chemical reactions

Kenneth TochJoris ThybautGuy Marin

Analytical rate expressions accounting for the elementary steps in aromatics hydrogenation on Pt

Luis Alberto Lozano GuerraJoris ThybautGuy Marin

Assessing the clean character of plastic waste pyrolysis oil by comprehensive 2D-GC

Hilal Ezgi ToramanThomas DijkmansMarko DjokicKevin Van GeemGuy Marin

Assessing the clean character of plastic waste pyrolysis oils by comprehensive 2D GC

Hilal Ezgi ToramanThomas DijkmansMarko DjokicKevin Van GeemGuy Marin

Assessing the potential of crude tall oil for the production of green-base chemicals: an experimental and kinetic modeling study

Ruben De BruyckerJM AnthonykuttyJ LinnekoskiA HarlinJ LehtonenKevin Van GeemJ RäsänenGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Bed stability and maximum solids capacity in a Gas-Solid Vortex Reactor: experimental study

Jelena KovacevicMaria PantzaliGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Catalytic coating for reduced coke formation in ethylene-producing steam crackers: experimental and model validation

Carl SchietekatPieter ReyniersStamatis SarrisKevin Van GeemGuy MarinL KoolP LucasS WangY GuH Zhou

Catalytic cracking of cycloparaffins admixed with Olefins: 2. Single-Event Microkinetic (SEMK) assessment

Gaoping XueW HuixinJoris ThybautGuy Marin

A1 Journal Article in CHINA PETROLEUM PROCESSING & PETROCHEMICAL TECHNOLOGY

Catalytic fast pyrolysis of pine wood: effect of successive catalyst regeneration

Güray YildizTom LathouwersHilal Ezgi ToramanKevin Van GeemGuy MarinFrederik RonsseRuben van DurenSascha RA KerstenWolter Prins

A1 Journal Article in ENERGY & FUELS

Catching the lifetime changes of active Pt-Ga nanoclusters during high temperature redox cycling by in situ Quick-XAS

Matthias FilezKonstantinos AlexopoulosEvgeniy RedekopVladimir GalvitaHilde PoelmanGuy Marin

CFD simulations of droplet-wall interaction upon impingement of heavy hydrocarbon droplets

Amit MahulkarPieter VerheesKevin Van GeemGeraldine HeynderickxGuy Marin

CFD simulations of droplet-wall interaction upon impingement of heavy hydrocarbon droplets

Amit MahulkarPieter VerheesKevin Van GeemGeraldine HeynderickxGuy Marin

CFD‐based design of 3D pyrolysis reactors: RANS vs LES

David Van CauwenbergeCarl SchietekatKevin Van GeemGuy Marin

Chemical Reaction Engineering: a core discipline for the process industry

Chemical reaction engineering: a key discipline for process innovation and optimization (Invited Lecture)

CO2 Capture and Conversion via Chemical Looping Process

Lukas BuelensNaga Venkata Ranga Aditya DharanipragadaVladimir GalvitaHilde PoelmanGuy Marin

Coking resistance of specialized coil materials during steam cracking of sulfur-free naphtha

Andres Muñoz GandarillasKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Cold flow study of a Gas-Solid Vortex Reactor

Jelena KovacevicGeraldine HeynderickxGuy Marin

Combined comprehensive two-dimensional gas chromatographic analysis of PAH/PASH compounds in complex matrices

Thomas DijkmansKevin Van GeemMarko DjokicGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Comprehensive 3D modeling of steam cracking furnaces

Yu ZhangCarl SchietekatF QianKevin Van GeemGuy Marin

Comprehensive 3D modeling of steam cracking furnaces: influence of flue gas radiative properties, burner geometry and shadow effects

Yu ZhangCarl SchietekatKevin Van GeemF QianGuy Marin

Computational fluid dynamics based design of finned steam cracking reactors

Carl SchietekatDavid Van CauwenbergeKevin Van GeemGuy Marin

A1 Journal Article in AICHE JOURNAL

Controlled synthesis of poly(BMA-co-BA) via ARGET ATRP: insights and improvement

Kevin PaynePaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy MarinRA HutchinsonMF Cunningham

A1 Journal Article in POLYMER INTERNATIONAL

Coverage dependent kinetics of benzene hydrogenation on Pt and Pd catalysts

Maarten SabbeGonzalo Canduela RodriguezMarie-Françoise ReyniersGuy Marin

Delivering a modifying element to metal nanoparticles via hydrotalcite support

Evgeniy RedekopVladimir GalvitaHilde PoelmanGuy Marin

Delivering a modifying element to metal nanoparticles via support: Pt-Ga alloying during the reduction of Pt/Mg(Al,Ga)Ox catalysts and its effects on propane dehydrogenation

Evgeniy RedekopVladimir GalvitaHilde PoelmanVitaliy BliznukChristophe DetavernierGuy Marin

A1 Journal Article in ACS CATALYSIS

Design of a VOx-WOx catalyst on mesoporous titania

Isabelle AscoopVladimir GalvitaGuy MarinPascal Van Der Voort

Design of vanadium based catalysts on mesoporous supports for the oxidative dehydrogenation of propane

Isabelle AscoopVladimir GalvitaGuy MarinPascal Van Der Voort

Detailed compositional characterization of plastic waste pyrolysis oil by comprehensive two-dimensional gas-chromatography coupled to multiple detectors

Hilal Ezgi ToramanThomas DijkmansMarko DjokicKevin Van GeemGuy Marin

A1 Journal Article in JOURNAL OF CHROMATOGRAPHY A

Development of an improved kinetic mechanism for the pyrolysis of anisole in H2 environment

Y KoiralaSM VillanoAM DeanHans-Heinrich CarstensenMarie-Françoise ReyniersGuy Marin

Elucidating complex catalytic mechanisms based on transient pulse-response kinetic data

Evgeniy RedekopGrigoriy YablonskyDenis ConstalesPA RamachandranJT GleavesGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Energy-efficient light olefin recovery: absorption versus cryogenic distillation

Pieter ReyniersJoão Felipe dos SantosStephanie SaerensPieter CnuddeLaurien VandewalleThomas DeconinckSteven GovaertPhilip De SmedtKevin Van GeemGuy Marin

Ethanol dehydration: from ab initio to industrial reactor simulation

Kristof Van der BorghtKonstantinos AlexopoulosVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Experimental and computational study of the initial decomposition of γ-valerolactone

Ruben De BruyckerHans-Heinrich CarstensenJ SimmieKevin Van GeemGuy Marin

Experimental and modeling study on the thermal decomposition of Jet Propellant-10

Nick VandewieleG MagoonKevin Van GeemMarie-Françoise ReyniersW.H. GreenGuy Marin

A1 Journal Article in ENERGY & FUELS

Experimental and theoretical methods in kinetic studies of heterogeneously catalyzed reactions

Marie-Françoise ReyniersGuy Marin

A1 Journal Article in ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING

Experimental investigation of ethylene hydroformylation to propanal on Rh and Co based catalysts

Nima NavidiJoris ThybautGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Exploring the Synergy between Zeolites Exhibiting Complementary Confinement Behavior in n-Alkane Hydroconversion at Liquid Phase Conditions

Bart VandegehuchteJoris ThybautJA MartensGuy Marin

Fast pyrolysis of genetically modified biomass

Hilal Ezgi ToramanRuben VanholmeMarko DjokicGüray YildizFrederik RonsseWolter PrinsWout BoerjanKevin Van GeemGuy Marin

Fe2O3-CeO2 for chemical looping process: in situ XRD and XAS study

Naga Venkata Ranga Aditya DharanipragadaVladimir GalvitaHilde PoelmanGuy Marin

Fed-batch control and visualization of monomer sequences of individual ICAR ATRP gradient copolymer chains

Dagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in POLYMERS

First time measurement of the short-long termination reactivity via the RAFT-CLD-T technique

Pieter DerbovenDagmar D'hoogeMarie-Françoise ReyniersGuy MarinC Barner-Kowollik

Kristof Van der BorghtKenneth TochGuy MarinJoris Thybaut

GPU based simulation of reactive mixtures with detailed chemistry in combination with tabulation and an analytical Jacobian

Thomas DijkmansCarl SchietekatKevin Van GeemGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

How to model chemical kinetics: bottom-up (inductive) or top-down (deductive)

ICAR ATRP for estimation of intrinsic macro-activation/deactivation Arrhenius parameters under polymerization condition

Carolina Toloza PorrasDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Improved insights on the kinetics of the radical sulfinyl PPV polymerization

N ZaquenJ VandenberghPaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy MarinL LutsenDJM VanderzandeT Junkers

Improved kinetic Monte Carlo simulation of chemical composition-chain length distributions in polymerization processes

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

In situ XAS and XRF study of nanoparticle nucleation during O3-based Pt deposition

Matthias FilezHilde PoelmanRanjith Karuparambil RamachandranJolien DendoovenKilian Devloo-CasierEmiliano FondaChristophe DetavernierGuy Marin

A1 Journal Article in CATALYSIS TODAY

Influence of the reactor coil material on coke formation during steam cracking of hydrocarbons

Andres Muñoz GandarillasGuy MarinMarie-Françoise Reyniers

Influence of the reactor material composition on coke formation during ethane steam cracking

Andres Muñoz GandarillasKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Insights into the reaction mechanism of ZSM-5 catalyzed bioethanol conversion to hydrocarbons by transient techniques

Rakesh BatchuVladimir GalvitaGuy Marin

Integrated Stefan-Maxwell, mean field and single-event microkinetic methodology for simultaneous diffusion and reaction inside microporous materials

Bart VandegehuchteIndranil Roy ChoudhuryJoris ThybautJA MartensGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Kinetic model construction using chemoinformatics

Nick VandewieleGuy MarinMarie-Françoise Reyniers

Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms

Paschalis ParaskevasMaarten SabbeMarie-Françoise ReyniersN PapayannakosGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by carbon-centered radicals

Paschalis ParaskevasMaarten SabbeMarie-Françoise ReyniersNikos PapayannakosGuy Marin

A1 Journal Article in CHEMPHYSCHEM

Kinetic Monte Carlo based design of 2-oxazoline sequences targeting improved copolymer properties

Paul Van SteenbergeBart VerbraekenDagmar D'hoogeMarie-Françoise ReyniersRichard HoogenboomGuy Marin

Kinetic Monte Carlo calculation of electrospray ionization mass spectra toward the determination of rate coefficients for radical migration, inter- and intramolecular transfer

Paul Van SteenbergeDagmar D'hoogeJ BandenberghMarie-Françoise ReyniersT JunkersGuy Marin

Kinetics of chemical reactions: decoding complexity

Kinetics of chemical reactions: decoding complexity

Guy MarinGrigoriy Yablonsky

Kinetics of the total oxidation of volatile organic compounds (VOC) by transient experiments

Guy MarinVladimir Galvita

Mastering diffusion, confinement and acid strength in zeolites for the alternative production of conventional fuels and chemicals

Bart VandegehuchteJoris ThybautGuy Marin

Matching physical meaning with statistical significance: best practices in modelling intrinsic n-hexane hydroisomerization kinetics

Kenneth TochJoris ThybautGuy Marin

Materials for CO2 capture and conversion via chemical looping process

Lukas BuelensNaga Venkata Ranga Aditya DharanipragadaVladimir GalvitaHilde PoelmanGuy Marin

Methane dry reforming of Ni-Fe catalysts: effect of Fe content

Stavros-Alexandros TheofanidisVladimir GalvitaGuy Marin

Microkinetic modeling of ethanol conversion to hydrocarbons on HZSM-5

Kristof Van der BorghtVladimir GalvitaJoris ThybautGuy Marin

Midchain Radical Migration: From Experimental Observation to Improved Modelling of Acrylate Polymerizations

J VandenberghPaul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy MarinT Junkers

Model based design of acid base cooperative catalysts for aldol condensation effects of amine structure and base strength

Jeroen LauwaertEls De CanckD EsquivelPascal Van Der VoortJoris ThybautGuy Marin

Model-based design of nitroxide mediated polymerization

Stijn FierensDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Model-based design of nitroxide mediated polymerization of styrene

Stijn FierensDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Model-based optimization of reversible addition-fragmentation chain transfer polymerization of styrene

Nils De RybelPieter DerbovenDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Modeling and simulation of heterogeneous catalytic processes

MS-1-P-2226 Mixed FeOx-CeO2-x nanomaterials for chemical looping characterized by transmission electron microscopy and spatially resolved EELS

S TurnerM MeledinaVladimir GalvitaHilde PoelmanGuy MarinG Tendeloo

Multi-scale modeling of amine-thiol-ene conjugation chemistry for macromolecular design

Gilles DesmetLawrence VanhoyeFabienne GoethalsD D'HoogePieter EspeelGuy MarinFilip Du PrezMarie-Françoise Reyniers

Multi-scale Modeling of the Polymerization of Thiolactone Containing Monomers based on Amine-Thiol-Ene Conjugation Chemistry

Gilles DesmetLawrence VanhoyeF. GoehtalsDagmar D'hoogePieter EspeelFilip Du PrezGuy MarinMarie-Françoise Reyniers

Multiscale modeling and design of the catalytic conversion of bioalcohols

New Results in Non-Steady-State Catalyst Characterization using the Temporal Analysis of Products (TAP) Approach ('Chemical Calculus')

Grigoriy YablonskyEvgeniy RedekopDenis ConstalesX ZhengR FushimiG VeithGuy MarinJT Gleaves

Numerical and experimental aspects of temporal analysis of products: a tool for understanding and designing heterogeneous catalysts

On-line analysis of sulfur compounds in complex hydrocarbon matrices using comprehensive two-dimensional gas chromatography FID/SCD

Marko DjokicNatália OlahováThomas DijkmansKevin Van GeemGuy Marin

On-line analysis of sulfur compounds in complex hydrocarbon matrices using comprehensive two-dimensional gas chromatography FID/SCD

Marko DjokicNatália OlahováThomas DijkmansKevin Van GeemGuy Marin

Oxidative coupling of methane: a microkinetic model accounting for intraparticle surface-intermediates concentration profiles

Panagiotis KechagiopoulosJoris ThybautGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Oxidative coupling of methane: catalytic behaviour assessment via comprehensive kinetic modelling

Vaios AlexiadisJoris ThybautPanagiotis KechagiopoulosM ChaarAC Van VeenGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Periodic DFT study of benzene adsorption on Pd(100) and Pd(110) at medium and saturation coverage

Gonzalo Canduela RodriguezMaarten SabbeMarie-Françoise ReyniersJean-François JolyGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Propane dehydrogenation over Pt/Mg(Al,Ga)Ox catalysts

Evgeniy RedekopVladimir GalvitaHilde PoelmanVitaliy BliznukChristophe DetavernierGuy Marin

Pt-based bimetallic catalysts for alkane dehydrogenation: structural, spectroscopic, and kinetic characterization

Evgeniy RedekopVladimir GalvitaHilde PoelmanVitaliy BliznukChristophe DetavernierStephanie SaerensMaarten SabbeMarie-Françoise ReyniersGuy Marin

Pt-Ga catalyst formation studied with in situ XAS using Fourier and wavelet transformed analysis

Matthias FilezHilde PoelmanEvgeniy RedekopVladimir GalvitaChristophe DetavernierGuy Marin

Pyridine hydrodenitrogenation over industrial NiMo/yAl2O3 catalyst: application of gas phase kinetic models to liquid phase reactions

Chetan Shreedhar RaghuveerJoris ThybautRuben De BruyckerKostas MetaxasTapan BeraGuy Marin

A1 Journal Article in FUEL

Recent advances in kinetic Monte Carlo techniques for an improved understanding of polymerization processes

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Regioselective etherification of b-citronellene catalyzed by zeolite beta

Martin PurinoS RadhakrishnanKonstantinos AlexopoulosMarie-Françoise ReyniersGuy MarinJA Martens

Rule based ab initio kinetic model for alkyl sulfide pyrolysis

Ruben Van de VijverNick VandewieleAäron VandeputteKevin Van GeemWH GreenGuy Marin

Silanol assisted aldol condensation on aminated silica: understanding the arrangement of functional groups

Jeroen LauwaertEls De CanckMaria Dolores Esquivel MerinoJoris ThybautPascal Van Der VoortGuy Marin

A1 Journal Article in CHEMCATCHEM

Simulation of the coking phenomenon in the superheater of a steam cracker

Amit MahulkarGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Single-Event Micro Kinetic (SEMK) assessment of the catalytic cracking of parraffins admixed with Olefins

Gaoping XueJoris ThybautH-X WengGuy Marin

Single-Event MicroKinetic (SEMK) assessment of the catalytic cracking of cycloparaffins admixed with olefins

Gaoping XueJoris ThybautH-X WengGuy Marin

SpecialiIssue MACKIE-2013 'Pushing the boundaries' preface

S PushpavanamGuy Marin

Editorial material

Steam cracking: from feedstock analysis to plant optimization

Thomas DijkmansKevin Van GeemGuy Marin

Structural, spectroscopic, and kinetic characterization of Pt-based bimetallic catalysts for alkane dehydrogenation

Vladimir GalvitaEvgeniy RedekopHilde PoelmanV. BliznukChristophe DetavernierStephanie SaerensMaarten SabbeMarie-Françoise ReyniersGuy Marin

Swirl flow tube reactor technology: an experimental and computational fluid dynamics study

Carl SchietekatMarco WM Van GoethemKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

TAP study of toluene total oxidation over a Co3O4/La-CeO2 catalyst with an application as a washcoat of cordierite honeycomb monoliths

Diana Gómez CabalVladimir GalvitaJM GaticaH VidalGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Temporal analysis of products: from understanding to designing heterogeneous catalysts

The C-matrix: augmentation and reduction in the analysis of chemical composition and structure

Denis ConstalesGrigoriy YablonskyGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

The pyrolysis of γ-valerolactone: experiments and initial modeling

Hans-Heinrich CarstensenRuben De BruyckerJ SimmieMarie-Françoise ReyniersKevin Van GeemGuy Marin

The role of different types of CuO in CuO–CeO2/Al2O3 for total oxidation

Vladimir GalvitaMatthias FilezHilde PoelmanVitaliy BliznukGuy Marin

A1 Journal Article in CATALYSIS LETTERS

Thermodynamic study of benzene and hydrogen coadsorption on Pd(111)

Gonzalo Canduela RodriguezMaarten SabbeMarie-Françoise ReyniersJean-François JolyGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Transient (TAP) study of propane dehydrogenation over PtGa/Mg(Al,Ga)Ox catalysts: the role of initial coking and competitive C3H6/H2 co-adsorption

Evgeniy RedekopVladimir GalvitaGuy Marin

Understanding atomic layer deposition of aluminaover (100) hydroxylated gamma Al2O3 surface using DFT calculations

Aditya Shankar SandupatlaE LevrauChristophe DetavernierMarie-Françoise ReyniersGuy Marin

Unraveling diffusion and other shape selectivity effects in ZSM5 using n-Hexane hydroconversion single-event microKinetics

Bart VandegehuchteJoris ThybautGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Unravelling the formation of Pt-Ga alloyed nanoparticles on calcined Ga-modified hydrotalcites by in situ XAS

Matthias FilezEvgeniy RedekopHilde PoelmanVladimir GalvitaRanjith Karuparambil RamachandranJolien DendoovenChristophe DetavernierGuy Marin

A1 Journal Article in CHEMISTRY OF MATERIALS

When are two eyes better than one: model construction vs model reduction

Grigoriy YablonskyDenis ConstalesEvgeniy RedekopGuy Marin

2013

3D steam cracking reactor technology: the good, the bad and the ugly

Kevin Van GeemDavid Van CauwenbergeCarl SchietekatGuy Marin

A kinetic Monte Carlo methodology for tracking monomer sequences in copolymers

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A systematic methodology for the modeling of intrinsic chemical reaction kinetics: N-Hexane hydroisomerization on a bifunctional zeolite

Kenneth TochJoris ThybautGuy Marin

A theoretical exploration of the potential of ICAR ATRP for one- and two-pot synthesis of well-defined diblock copolymers

Carolina Toloza PorrasDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULAR REACTION ENGINEERING

Ab initio based micro-kinetic modeling of benzene hydrogenation on Pd(111) as a function of hydrogen coverage

Gonzalo Canduela RodriguezMaarten SabbeMarie-Françoise ReyniersJ-F JolyGuy Marin

Ab initio based microkinetic modelling of ethanol dehydration in zeolites

Cuong Manh NguyenKonstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

Ab initio characterization of the Cresol potential energy surface

Hans-Heinrich CarstensenMarie-Françoise ReyniersGuy Marin

Ab initio study of alumina-atomic layer deposition process

Aditya Shankar SandupatlaMarie-Françoise ReyniersGuy Marin

Advanced kinetic Monte Carlo optimization of the synthesis of well-defined (co)polymers via atom transfer radical and nitroxide mediated polymerization

Paul Van SteenbergeDagmar D'hoogeCarolina Toloza PorrasStijn FierensMarie-Françoise ReyniersGuy Marin

Advances in chemical engineering

Advances in chemical engineering

An experimental and kinetic modeling study of cyclopentadiene (CPD) pyrolysis: first growth of polycyclic aromatic hydrocarbons

Marko DjokicKevin Van GeemC CavallottiA FrassoldatiE RanziGuy Marin

An implicit solver for computationally efficient steam cracking modeling

Carl SchietekatDenis ConstalesKevin Van GeemGuy Marin

An industrial reactor design for heterogeneously catalyzed Ethene oligomerization

Kenneth TochJoris ThybautGuy Marin

An oxidative dehydrogenation catalyst : a VOx/WOx catalyst on mesoporous silica

Isabelle AscoopVladimir GalvitaGuy MarinPascal Van Der Voort

ARGET ATRP of butyl methacrylate: utilizing kinetic modeling to understand experimental trends

Kevin PayneDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersMF CunninghamRA HutchinsonGuy Marin

A1 Journal Article in MACROMOLECULES

Assessing the influence of Alloy composition on coke formation in steam cracking reactors

Andres Muñoz GandarillasKevin Van GeemMarie-Françoise ReyniersGuy Marin

Assessment of a gas-solid vortex reactor for SO2/NOx adsorption from flue gas

Robert AshcraftJelena KovacevicGeraldine HeynderickxGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Assessment of end-group functionality in atom transfer radical polymerization of N-isopropylacrylamide

Dagmar D'hoogeM VachaudezFJ StadlerMarie-Françoise ReyniersO CoulembierC BaillyP DuboisGuy Marin

A1 Journal Article in EUROPEAN POLYMER JOURNAL

Benzene adsorption on binary Pt3M alloys and surface alloys: a DFT study

Maarten SabbeLucia Lain AmadorMarie-Françoise ReyniersGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Biomass reaction engineering driving genetic modification

Kevin Van GeemHilal Ezgi ToramanMichiel SchietseEleonora BorénRuben VanholmeLorenz GerberMarko DjokicGüray YildizFrederik RonsseWolter Prins et al.

Bivariate kinetic Monte Carlo simulations to unravel the role of mid-chain radical migration in the synthesis of low dispersity acrylate macromonomers

Paul Van SteenbergeDagmar D'hoogeJ VandenberghMarie-Françoise ReyniersT JunkersGuy Marin

CeO2-modified Fe2O3 for CO2 utilization via chemical looping

Vladimir GalvitaHilde PoelmanVitaliy BliznukChristophe DetavernierGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

CFD simulations based regime map for droplet-wall interaction of multi-component hydrocarbon droplet

Amit MahulkarSteven TheeuwesGeraldine HeynderickxGuy Marin

CO2 utilization via chemical looping process

Vladimir GalvitaHilde PoelmanGuy Marin

Comparative kMC study of the sulfinyl and dithiocarbamate precursor routes toward highly regioregular MDMO-PPV

Paul Van SteenbergeDagmar D'hoogeJ VandenberghMarie-Françoise ReyniersPJ AdriaensensDJM VanderzandeGuy Marin

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

Computational fluid dynamics based design of finned

Kevin Van GeemDavid Van CauwenbergeCarl SchietekatGuy Marin

Computationally efficient CFD simulations with detailed free-radical mechanisms

Carl SchietekatKevin Van GeemGuy Marin

Computer aided optimization of conditions for fast and controlled ICAR ATRP of n-Butyl acrylate

Carolina Toloza PorrasDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

Cover : Macromol. React. Eng. 8/2013

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Decoding the complexity of reaction networks (Invited Lecture)

Guy MarinGrigoriy Yablonsky

Design and simulation of gas solid vortex reactor for process intensification of selected reactions

Kaustav NiyogiGeraldine HeynderickxGuy Marin

Design of a novel VOx/WOx catalyst for the oxidative dehydrogenation of propane

Isabelle AscoopVladimir GalvitaAn VerberckmoesGuy MarinPascal Van Der Voort

Effect of error propagation in successive parameter estimation

N KerimogluVinod KumarA MhamdiJoris ThybautGuy MarinW Marquardt

Efficient stochastic calculation of the chemical composition chain length distribution accounting for possible diffusional limitations

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Ethylene oligomerization on bifunctional heterogeneous catalysts: model development and catalyst optimization

Kenneth TochJoris ThybautGuy Marin

Evaluation of gradient quality of copoly(2-oxazoline)s

Dagmar D'hoogePaul Van SteenbergeBart VerbraekenMarie-Françoise ReyniersRichard HoogenboomGuy Marin

Experimental research and analytical modelling of a Gas-Solid Vortex Reactor (GSVR)

Jelena KovacevicGeraldine HeynderickxGuy Marin

Explicit rate expressions for complex reaction networks: benzene hydrogenation

Luis Alberto Lozano GuerraJoris ThybautGuy Marin

Flow development in the inlet section of a riser

Maria PantzaliBart De CeusterGeraldine HeynderickxGuy Marin

Grasping complexity in chemical kinetics: top-down, bottum-up and some more

Grigoriy YablonskyDenis ConstalesGuy Marin

Group additive values for the gas phase standard enthalpy of formation, entropy and heat capacity of oxygenates

Paschalis ParaskevasMaarten SabbeMarie-Françoise ReyniersN PapayannakosGuy Marin

A1 Journal Article in CHEMISTRY-A EUROPEAN JOURNAL

Group additivity for the thermochemistry and H-abstraction kinetics of oxygenates

Paschalis ParaskevasMaarten SabbeMarie-Françoise ReyniersN PapayannakosGuy Marin

In situ XAS and XRF study of nanoparticle nucleation during O3-based Pt deposition

Matthias FilezHilde PoelmanRanjith Karuparambil RamachandranJolien DendoovenKilian Devloo-CasierE. FondaChristophe DetavernierGuy Marin

Incorporation of intracrystalline diffusionin n-Alkane hydrocracking single-event microKinetics

Bart VandegehuchteJoris ThybautGuy Marin

Intersections and coincidences in chemical kinetics: linear two-step reversible-irreversible reaction mechanism

Denis ConstalesGregoriy yablonksyGuy Marin

A1 Journal Article in COMPUTERS & MATHEMATICS WITH APPLICATIONS

Inverse dependencies on the polymerization rate in atom transfer radical polymerization of N-isopropylacrylamide in aqueous medium

M VachaudezDagmar D'hoogeM SockaJ LibiszowskiO CoulembierMarie-Françoise ReyniersA DudaGuy MarinP Dubois

A1 Journal Article in REACTIVE & FUNCTIONAL POLYMERS

Kinetic modeling explains inherent limitations of radical thiol-ene chemistry for macromolecular design

Pieter DerbovenDagmar D'hoogeMilan M. StamenovićPieter EspeelGuy MarinFilip Du PrezMarie-Françoise Reyniers

Kinetic modeling of ARGET ATRP of BMA/BA: the importance of slow initiation at low copper levels

Kevin PayneMF cunninghamRA HutchinsonDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Kinetic modeling of hydrogen abstractions involving sulfur radicals

Aäron VandeputteMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMPHYSCHEM

Kinetic modeling of radical thiol-ene chemistry for macromolecular design: importance of side reactions and diffusional limitations

Pieter DerbovenDagmar D'hoogeMilan M. StamenovićPieter EspeelGuy MarinFilip Du PrezMarie-Françoise Reyniers

A1 Journal Article in MACROMOLECULES

Kinetic Study on Hydrodenitrogenation of Pyridine according to SEMK Methodology

Chetan Shreedhar RaghuveerJoris ThybautGuy MarinL Bolton

Kinetic study on Hydrodenitrogenation of pyridine SEMK Methodology

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

Kinetics 2.0: new patterns of kinetic behavior: intersections, coincidences and Reciprocal time invariances

Denis ConstalesGrigoriy YablonskyGuy Marin

Kinetics of homolytic substitutions by hydrogen atoms at thiols and sulfides

Aäron VandeputteMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMPHYSCHEM

Low temperature atomic layer deposition of platinum using (methylcyclopentadienyl)trimethylplatinum and ozone

Jolien DendoovenRanjith K RamanchandranKilian Devloo-CasierGeert RampelbergMatthias FilezHilde PoelmanGuy MarinEmiliano FondaChristophe Detavernier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Macromol. React. Eng. 7/2013

Carolina Toloza PorrasDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Mechanism of CH4 dry reforming on nanocrystalline doped Ceria-Zirconia with supported Pt, Ru, Ni, and Ni–Ru

Guy MarinVladimir GalvitaC MirodatosS VeniaminovM Yu SmirnovaNN SazonovaTS GlaznevaEM SadovskayaGM AlikinaNV Mezentseva et al.

A1 Journal Article in TOPICS IN CATALYSIS

Micro-kinetic modeling of benzene hydrogenation on Pd(111) as a function of hydrogen coverage

Gonzalo Canduela RodriguezMaarten SabbeMarie-Françoise ReyniersJ-F JolyGuy Marin

Microkinetic modelling of methane oxidative coupling on a 1%SrLa2O3 catalyst as a basis for further catalyst design

Joris ThybautPanagiotis KechagiopoulosVaios AlexiadisM ChaarM MuhlerA Van VeenC MirodatosGuy Marin

Model based design of functional polymer materials by initiators for continuous activator regeneration atom transfer radical polymerization (ICAR ATRP)

Carolina Toloza PorrasGuy MarinMarie-Françoise Reyniers

Modeling and analysis of kinetics of catalytic reactions

Modeling of acid catalyzed reactions: confronting ab initio to experimental kinetic data

Modeling of expandable polystyrene and polyacrylamide kinetics: model accuracy and intrinsic kinetic parameters

Carolina Toloza PorrasWilliam Timothy Scott JrDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Modeling the decomposition chemistry of renewable fuels (Plenary Lecture)

Kevin Van GeemRuben De BruyckerHans-Heinrich CarstensenJ SimmieGuy Marin

Momentary Equilibrium in transient kinetics and its application for estimating the concentration of catalytic sites

Evgeniy RedekopGS YablonskyVladimir GalvitaDenis ConstalesR FushimiJT GleavesGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Momentary equilibrium in transient kinetics and its application for estimating the number of catalytic sites

Evgeniy RedekopGrigoriy YablonskyVladimir GalvitaDenis ConstalesR FushimiJT GleavesGuy Marin

Multi-scale modeling of benzene hydrogenation on Pd(111)

Gonzalo Canduela RodriguezMaarten SabbeJ-F JolyMarie-Françoise ReyniersGuy Marin

Multivariate kinetic Monte Carlo simulation: the case of radical (co)polymerizations

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Non-oxidative aromatization of methane: assessment of zeolite framework effects by catalyst descriptors from microkinetic modelling

C MartinezMT PortillaKS WongJoris ThybautE TangsadGuy Marin

Nucleation and growth of Pt by atomic layer deposition on silica probed with in situ XAS and XRF measurements

Matthias FilezRanjith Karuparambil RamachandranKilian Devloo-CasierJolien DendoovenHilde PoelmanE FondaChristophe DetavernierGuy Marin

OCMOL: towards sustainable production of high quality fuels and petrochemicals via oxidative coupling of methane

Vaios AlexiadisJoris ThybautGuy MarinA Van VeenM ChaarM Muhler

One- and two-pot synthesis of well-defined diblock copolymers by ICAR ATRP: a theoretical exploration

Carolina Toloza PorrasDagmar D'hoogePaul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Predictive chemical kinetics: a molecular approach to 21st century energy solutions

A JalanJW AllenS MerchantNick VandewieleR ParmarCW GaoMR HarperG MagoonBA PeppleyKevin Van Geem et al.

Production of bio-ethene and propene: alternatives for bulk chemicals and polymers

Thomas DijkmansSteven PylMarie-Françoise ReyniersRamin AbhariKevin Van GeemGuy Marin

A1 Journal Article in GREEN CHEMISTRY

Production of bio-ethylene: alternatives for green chemicals and polymers

Kevin Van GeemThomas DijkmansJinto M AnthonykuttySteven PylAli HarlinGuy Marin

Propane dehydrogenation over Pt/Mg(Al,Ga)Ox catalysts

Evgeniy RedekopVladimir GalvitaDirk PoelmanVitaliy BliznukGuy Marin

Pt-Ga catalyst formation studied with in situ XAS using Fourier and wavelet transformed analysis

Matthias FilezHilde PoelmanEvgeniy RedekopVladimir GalvitaChristophe DetavernierGuy Marin

Pt-Ga catalyst formation studied with in situ XAS using Fourier and wavelet transformed analysis

Matthias FilezHilde PoelmanEvgeniy RedekopVladimir GalvitaChristophe DetavernierGuy Marin

Pyridine hydrodenitrogenation over an industrial NiMo/y-Al2O3 catalyst: application of gas phase models to liquid phase reactions

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

Quantification of contribution of hydride transfer in the catalytic cracking of aliphatics

Gaoping XueH-X WengJoris ThybautGuy Marin

A2 Journal Article in JOURNAL OF EAST CHINA UNIVERSITY OF SCIENCE AND TEHCNOLOGY

Rate coefficient calculation rules for cyclic hydrocarbons: additions to double bonds (Plenary Lecture)

Hans-Heinrich CarstensenMaarten SabbeMarie-Françoise ReyniersGuy Marin

Reaction path and coverage effects analysis of benzene hydrogenation on Pd(111)

Gonzalo Canduela RodriguezMaarten SabbeJ-F JolyMarie-Françoise ReyniersGuy Marin

Single-event microkinetics (SEMK) for methanol to hydrocarbons (MTH) on H-ZSM-23

Pravesh KumarJoris ThybautS TeketelS SvelleP BeatoU OlsyeGuy Marin

A1 Journal Article in CATALYSIS TODAY

Single-event microkinetics for methanol to olefins on H-ZSM-5

Pravesh KumarJoris ThybautStian SvelleUnni OlsbyeGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Single-event microKinetics: catalyst design for complex reaction networks

Joris ThybautGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Steam-cracking: an evergreen of the chemical process industry

Steam-cracking: an evergreen of the chemical process industry

Steam-cracking: an evergreen of the chemical process industry

Symmetry identification of molecules and reactions using group theory for automatic reaction network generation applications

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

Tackling the cross-termination challenge in radical polymerization through the RAFT-CLD-T technique

Pieter DerbovenDagmar D'hoogeMarie-Françoise ReyniersGuy MarinC Barner-Kowollik

The C-matrix: augmentation and reduction in the analysis of chemical composition and structure

Denis ConstalesGrigoriy YablonskyGuy Marin

The crucial role of diffusional limitations in controlled radical polymerization (feature article)

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULAR REACTION ENGINEERING

The Eurokin consortium: origin, topics and aims

R BergerH StittL ChewterJ VerstraeteGuy MarinJ hoorn

A2 Journal Article in GREEN PROCESSING AND SYNTHESIS

The kinetic Monte Carlo simulated linear gradient quality as new copolymer property: the case of ATRP

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy MarinY WangM ZhongD KonkolewiczK Matyjaszewski

The thermal decomposition of 2,5-dimethylfuran

Marko DjokicHans-Heinrich CarstensenKevin Van GeemGuy Marin

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

Three-component solids velocity measurements in the middle section of a riser

Maria PantzaliNuria Lozano BayónGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Ti-functionalized NH₂-MIL-47 : an effective and stable epoxidation catalyst

Karen LeusGauthier VanhaelewynThomas BogaertsYing-Ya LiuMaria Dolores Esquivel MerinoFreddy CallensGuy MarinVeronique Van SpeybroeckHenk VrielinckPascal Van Der Voort

A1 Journal Article in CATALYSIS TODAY

Toluene total oxidation over CuO-CeO2/Al2O3: structural and kinetic characterization

Unmesh MenonGuy MarinVladimir Galvita

Towards developing a systematic strategy for elucidating complex catalytic mechanisms based on transient pulse-response kinetic data

Evgeniy RedekopGrigoriy YablonskyDenis ConstalesPA RamachandranJT GleavesGuy Marin

Transitions: from molecule to chemical plant and from fossil to renewable feedstock

Transport and reaction processes of CO oxidation over CuO-CeO2/Al2O3 in TAP experiments: the influence of catalyst dilution

Vladimir GalvitaEvgeniy RedekopGrigoriy YablonskyDenis ConstalesGuy Marin

Tuneable synthesis & catalytic activity of lanthanum based nanomaterials

Cristina Estruch BoschM CopleyP CollierJoris ThybautGuy Marin

Tuning the gradient quality via controlled radical polymerization

Paul Van SteenbergeDagmar D'hoogeYu WangMingjiang ZhongMarie-Françoise ReyniersDominik KonkolewiczKrzysztof MatyjaszewskiGuy Marin

µ-radical hypothesis and QSSA investigation in steam cracking of Cycloalkanes

Muralikrishna KhandavilliKevin Van GeemGuy Marin

2012

22nd International Symposium on Chemical Reaction Engineering (ISCRE22)

Jaap SchoutenGuy Marin

Editorial material

3D swirl flow reactor technology for pyrolysis processes: hydrodynamic and computational fluid dynamic study

Carl SchietekatMarco M Van GoethemKevin Van GeemGuy Marin

A comprehensive study of methyl decanoate pyrolysis

Steven PylKevin Van GeemPhilip PuimègeMaarten SabbeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in ENERGY

A single-event micro Kinetic model for 'ethylbenzene dealkylation/xylene isomerization' on Pt/H-ZSM-5 zeolite catalyst

Kenneth TochJoris ThybautBart VandegehuchteCSL NarasimhanL DomokosGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Advances in chemical engineering 41: fuel cell engineering

An experimental and kinetic modeling study of pyrolysis and combustion af acetone-butanol-ethanol (abe) mixtures

Kevin Van GeemAlberto CuociAlessio FrassoldatiSteven PylGuy MarinEliseo Ranzi

A1 Journal Article in COMBUSTION SCIENCE AND TECHNOLOGY

Application of gas phase models to liquid phase reactions

Chetan Shreedhar RaghuveerJoris ThybautGuy Marin

Applying advances in parallel computing to pyrolysis modeling algorithms

Thomas DijkmansKevin Van GeemGuy Marin

Bio-ethylene production: alternatives for green chemicals and polymers

Kevin Van GeemJM AnthonykuttySteven PylA HarlinGuy Marin

Catalytic cracking of alkanes on FAU: single-event microkinetic modeling including acidity descriptors

Rhona Van BormMarie-Françoise ReyniersGuy Marin

A1 Journal Article in AICHE JOURNAL

Catalytic upgrading of bioethanol to hydrocarbons on modified HZSM-5 catalysts

Kristof Van der BorghtVladimir GalvitaGuy Marin

Chemical engineering and kinetics: a 'Pas de Deux' of theory and experiment

Coupled simulation of an industrial naphtha cracking furnace equipped with long-flame and radiation burners

Guihua HuHonggang WangFeng QianKevin Van GeemCarl SchietekatGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Deduction of connectivity features of pseudomonomolecular reaction networks from thin-zone-TAP-data

Raf RoelantDenis ConstalesRoger Van KeerGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Design and experimental study with laser doppler anemometry of a circulating fluidized bed

Gorik Van engelandtGeraldine HeynderickxGuy Marin

Detailed molecular compositions of vacuum gas oils by comprehensive twodimensional

Thomas DijkmansMarko DjokicSteven P PylGuy MarinKevin Van Geem

Development of detailed mechanisms from first principle calculations with application to biomass chemistry

Hans-Heinrich CarstensenMarie-Françoise ReyniersGuy Marin

Duurzame productie van lichte alkenen: van fossiele naar hernieuwbare grondstoffen

Steven PylMarie-Françoise ReyniersGuy Marin

Eluciating reaction mechanisms based on transient thin-zone temporal analysis of products (TAP) data: the Y-procedure approach

Evgeniy RedekopGregory S YablonskyPalghat A RamanchandranDenis ConstalesXiaolin ZhengGabriel VeithRebecca FushimiGuy MarinJohn T Gleaves

Experimental and modeling study of thermal decomposition of exo- tetrahydrodicyclopentadiene

Nick VandewieleGregory R. MagoonKevin Van GeemMarie-Françoise ReyniersWilliam H. GreenGuy Marin

Experimental and modeling study of thermal decomposition of exotetrahydrocyclopentadiene rodicyclopentadiene

Nick VandewieleGregory MagoonKevin Van GeemMarie-Françoise ReyniersWH GreenGuy Marin

Experimental investigation of ethylene hydroformylation to propanol on Rh and Co based catalysts

Nima NavidiJoris ThybautGuy Marin

Experimental investigation of ethylene hydroformylation to propanol on Rh and Co based catalysts

Nima NavidiJoris ThybautGuy Marin

Extension of the single-event microkinetic model to alkyl substituted monoaromatics hydrogenation on a Pt catalyst

Tapan BeraJoris ThybautGuy Marin

A1 Journal Article in ACS CATALYSIS

Fouling of convection section tubes due to heavy feeds in a steam cracker

Amit MahulkarGeraldine HeynderickxGuy Marin

Genesys: automatic generation of quantitative kinetic models

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

Genesys: kinetic model construction using chemo-informatics

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Genetically modified biomass: effect of single gene modifications on the composition of fast pyrolysis bio-oils

Kevin Van GeemYumi VanwonterghemEleonora BorenRuben VanholmeMarko DjokicF RonsseW PrinsB SundbergW BoerjanGuy Marin

Hydrocarbon oxidation over metal oxide catalysts: an ab initio and operando X-ray absorption study

Konstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

Hydrogenation of aromatics: single-event microkinetic (SEMK) methodology and scale-up

Tapan BeraJoris ThybautGuy Marin

Importance of targeted chain length and nitroxide partitioning in miniemulsion nitroxide mediated polymerization of styrene

Dagmar D'hoogeL BenteinMarie-Françoise ReyniersGuy Marin

Intracrystalline diffusion effects during n-alkane hydrocracking over ZSM5

Bart VandegehuchteJoris ThybautGuy Marin

Intrinsic kinetics of Ethylene hydroformylation to propanol on Rh

Nima NavidiJoris ThybautGuy Marin

Isobutene Protonation in H-FAU, H-MOR, H-ZSM-5, and H-ZSM-22

Cuong Manh NguyenBart De MoorMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Kinetic modeling as a tool to evaluate the importance of diffusional limitations and nitroxide partitioning in styrene nitroxide mediated miniemulsion polymerization

Dagmar D'hoogeL BenteinMarie-Françoise ReyniersGuy Marin

Kinetic modeling of ICAR ATRP

Dagmar D'hoogeDominik konkolewiczMarie-Françoise ReyniersGuy MarinKrzysztof Matyjaszewski

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

Kinetic modeling of miniemulsion nitroxide mediated polymerization of styrene: effect of particle diameter and nitroxide partitioning up to high conversion

Lien BenteinDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in POLYMER

Kinetics of alpha hydrogen abstractions in thiols, sulfides and thiocarbonyl compounds

Aäron VandeputteMaarten SabbeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetics of catalytic stages for methane aromatization over Mo/HMCM-22 catalyst

Kae Shin WongJoris ThybautE TangsadMW StöckerGuy Marin

Linear gradient quality of ATRP copolymers

Paul Van SteenbergeDagmar D'hoogeYu WangMingjiang ZhongMarie-Françoise ReyniersDominik KonkolewiczKrzysztof MatyjaszewskiGuy Marin

A1 Journal Article in MACROMOLECULES

Liquid-phase alkylation of benzene with octenes over Y zeolites: kinetic modeling including acidity descriptors

Iftemie Ionel CraciunMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

MaCKiE (Mathematics in Chemical Kinetics and Engineering) international workshop 2011 special issue: preface

Oliver TrappGuy Marin

Editorial material

Mechanism of CH4 dry reforming on nanocrystalline doped Ceria-Zirconia with supported Pt, Ru, Ni and Ni-Ru

VA SadykovAS BobinC MirodatosVladimir GalvitaVA RogovNV MezentsevaGM AlikinaEM SadovskayaTS GlaznevaGuy Marin

Methane aromatisation based upon elementary steps: kinetic and catalyst descriptors

Kae Shin WongJoris ThybautElisabeth TangsadMichael W StockerGuy Marin

A1 Journal Article in MICROPOROUS AND MESOPOROUS MATERIALS

Methane dry reforming by transient kinetics study

TS GlaznevaVladimir GalvitaNV MezentsevaVA SadykovGuy Marin

Microkinetic engine (μKE): a software tool for (micro)kinetic modeling

Vinod KumarJoris ThybautGuy Marin

Microkinetics for toluene total oxidation over CuO-CeO2/Al2O3

Vladimir GalvitaHilde PoelmanUnmesh MenonGuy Marin

Microkinetics of hydrocarbon oxidation reactions

Microkinetics of the liquid-phase alkylation of benzene with octenes over Y zeolites: effect of acidity

Iftemie Ionel CraciunGuy MarinMarie-Françoise Reyniers

Model based design of controlled radical polymerization

Dagmar D'hoogeL BenteinD KonkolewiczMarie-Françoise ReyniersK MatyjaszewskiGuy Marin

Model based determination of linear gradient quality of ATRP copolymers

Paul Van SteenbergeDagmar D'hoogeY WangM ZhongMarie-Françoise ReyniersD KonkolewiczK MatyjaszewskiGuy Marin

Modeling fast biomass pyrolysis in a gas-solid vortex reactor

Robert AshcraftGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Modeling fast biomass pyrolysis in a gas/solid vortex reactor

Robert W AshcraftJelena KovacevicGeraldine HeynderickxGuy Marin

Modelling of methane partial oxidation in an asymmetric multilayered membrane reactor

Panagiotis KechagiopoulosJoris ThybautLudmilla N BobrovaVladislav A SadykovGuy Marin

Multiscale analysis and design for process intensification and innovation (MADPII)

n-Hexadecane hydrocracking single-event microKinetics on Pt/H-beta

Bart VandegehuchteJoris ThybautA MartinezMA ArribasGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Nature of the active sites for the total oxidation of toluene by CuO-CeO₂/Al₂O₃

Unmesh MenonHilde PoelmanVitaliy BliznukVladimir GalvitaDirk PoelmanGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

New catalysts and materials: bridging the gap between molecule and chemical plant

Newest evolution of the temporal analysis of products reactor system: TAP-3E combining catalyst synthesis with kinetic characterization

JT GleavesR FushimiGS YablonskyEvgeniy RedekopVladimir GalvitaGuy MarinM HaroldXiaomin Zheng

Optimization of ICAR ATRP of styrene at low catalyst ppm levels

Carolina Toloza PorrasDagmar D'hoogeD KonkolewiczK MatyjaszewskiMarie-Françoise ReyniersGuy Marin

Probability density function simulation of turbulent reactive gas-solid flow in a Fluid Catalytic Cracking (FCC) riser

SuryaNarayana Prasad VegendlaGeraldine HeynderickxGuy Marin

A1 Journal Article in AICHE JOURNAL

Production of bio-Olefins: tall-oils and waste greases to green chemicals and polymers

Kevin Van GeemSteven PylJM AnthonykuttyMarie-Françoise ReyniersA HarlinGuy Marin

Production of green olefins by steam cracking of hydrodeoxygenated tall oils

Steven PylKevin Van GeemThomas DijkmansJM AnthonykuttyMarie-Françoise ReyniersA HarlinGuy Marin

Propane and propene activation on V2O5 based catalysts: a combined ab initio: statistical thermodynamics study

Konstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

Pt/H-ZSM-22 hydroisomerization catalysts optimization guided by Single-Event MicroKinetic modeling

Indranil Roy ChoudhuryKazuaki HayasakaJoris ThybautCS Laxmi NarasimhanJoeri F denayerJohan A MartensGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Quantitative analysis of fast pyrolysis bio-oils by comprehensive two-dimensional gas

Marko DjokicKevin Van GeemThomas DijkmansGuray YildizWolter PrinsGuy Marin

Reaction path analysis of propane selective oxidation over V2O5 and V2O5/TiO2

Konstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Reaction path analysis of propene selective oxidation over V2O5 and V2O5/TiO2

Konstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

Reaction path analysis of propene selective oxidation over V2O5 and V2O5/TiO2

Konstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Reactions of bioalcohols in H-FAU, H-MOR, H-ZSM-5 and H-ZSM-22

Cuong Manh NguyenMarie-Françoise ReyniersGuy Marin

Reduction of CuO-CeO2/Al2O3 and CeO2/Al2O3 catalysts studied by Operando XAS and XRD

Hilde PoelmanMatthias FilezKonstantinos AlexopoulosVladimir GalvitaMarie-Françoise ReyniersGuy Marin

Relumped single-event microkinetic model for aromatics hydrogenation on Pt catalyst

Tapan BeraJoris ThybautGuy Marin

Réactivité et cinétique pour l'environnement

Simulation and design of an energy efficient 1,3-butadiene recovery unit

Kevin Van GeemGuy Marin

Bookchapter in Chemical engineering greetings to Prof. Sauro Pierucci

Simulation of coke formation in the convection section tubes of a steam cracker

Amit MahulkarGeraldine HeynderickxGuy Marin

Simulation of coking in convection section of steam cracker

Amit MahulkarGeraldine HeynderickxGuy Marin

A2 Journal Article in CHEMICAL ENGINEERING TRANSACTIONS

Single-event MicroKinetic (SEMK) modeling of methanol to olefins (MTO) on ZSM-23 catalyst

Pravesh KumarJoris ThybautS TeketelS SvelleU OlsbyeGuy Marin

Stochastic modeling of radical polymerizations

Paul Van SteenbergeMarie-Françoise ReyniersGuy Marin

Structural and kinetic study of the reduction of CuO-CeO2/Al2O3 by time-resolved X-ray diffraction

Vladimir GalvitaHilde PoelmanGuy MarinChristophe DetavernierGeert RampelbergBob De Schutter

A1 Journal Article in CATALYSIS LETTERS

Synthesis, characterization and sorption properties of NH₂-MIL-47

Karen LeusSarah CouckMatthias VandichelGauthier VanhaelewynYing-Ya LiuGuy MarinIsabel Van DriesscheDiederik DeplaMichel WaroquierVeronique Van Speybroeck et al.

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The activation of Mo based catalyst for methane aromatisation

Kae Shin WongJoris ThybautElisabeth TangsadMichael W StöckerGuy Marin

The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene

Karen LeusMatthias VandichelYing-Ya LiuIlke MuylaertJan MusschootSteven PylHenk VrielinckFreddy CallensGuy MarinChristophe Detavernier et al.

A1 Journal Article in JOURNAL OF CATALYSIS

The development of vanadium and titanium containing metal organic frameworks for applications in adsorption and heterogeneous catalysis

Karen LeusPascal Van Der VoortGuy Marin

The thermal decomposition of 2.5-dimethylfuran

Marko DjokicHans-Heinrich CarstensenKevin Van GeemGuy Marin

The thermal decomposition of cyclopentadiene

Marko DjokicNick VandewieleKevin Van GeemGuy Marin

The thermochemistry and decomposition mechanism of organosulfur and organophosphorus compounds

Aäron VandeputteGuy MarinMarie-Françoise Reyniers

Thermodynamic time invariances for dual kinetic experiments: nonlinear single reactions and more

Denis ConstalesGS YablonskyGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Three-component solids velocity measurements in the middle section of a riser

Maria PantzaliN Lozano BayonGeraldine HeynderickxGuy Marin

Toluene total oxidation over CuO-CeO2/Al2O3: reaction network and catalyst structural characterization

Vladimir GalvitaUnmesh MenonHilde PoelmanGuy Marin

Tuning polymer properties through competitive processes

D KonkolewiczDagmar D'hoogeK SosnowskiR SzymanskiMarie-Françoise ReyniersGuy MarinK Matyjaszewski

Bookchapter in Progress in controlled radical polymerization : mechanisms and techniques (ACS Books)

Ultratrace quantitative analysis of catalyst poisoners using a dedicated GC-MS analyser

Kevin Van GeemJeroen OngenaeJean-Louis BrixJoeri VercammenGuy Marin

A1 Journal Article in LC GC NORTH AMERICA

Ultratrace quantitative analysis of catalyst poisoners using a dedicated GC-MS analyser

Kevin Van GeemJeroen OngenaeJean-Louis BrixJoeri VercammenGuy Marin

A1 Journal Article in LC GC EUROPE

Ultratrace quantitative analysis of catalyst poisoners using a dedicated GC-MS analyser

Kevin Van GeemJeroen OngenaeJean-Louis BrixJoeri VercammenGuy Marin

A2 Journal Article in LC GC ASIA PACIFIC

Wood-derived olefins by steam cracking of hydrodeoxygenated tall oils

Steven PylThomas DijkmansJinto M AnthonykuttyMarie-Françoise ReyniersAli HarlinKevin Van GeemGuy Marin

A1 Journal Article in BIORESOURCE TECHNOLOGY

2011

A study of the effect of electron donating and electron withdrawing groups on the catalytic performance of V-MIL-47

Karen LeusYing-Ya LiuMatthias VandichelIlke MuylaertGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A study of the effect of electron donating and electron withdrawing groups on the catalytic performance of V-MIL-47

Karen LeusMatthias VandichelYing-Ya LiuGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

Ab initio study of the adsorption of C1-C4 alcohols in H-ZSM-5 zeolite

Cuong Manh NguyenMarie-Françoise ReyniersGuy Marin

Ab initio study of the adsorption of hydrocarbons in zeolites : influence of molecular structure and framework topology

Bart De MoorGuy MarinMarie-Françoise Reyniers

Accuracy and convergence rate of steady-state simulation of one-dimensional, reactive gas flow with molar expansion

Edward BaudrezGeraldine HeynderickxGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Adsorption of C2-C8 n-alkanes in zeolites

Bart De MoorMarie-Françoise ReyniersOliver C GobinJohannes A LercherGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

ALD-Modified USY zeolite characterization using single-event microkinetics

Bart VandegehuchteJoris ThybautChristophe DetavernierDavy DeduytscheJ DendoovenJA MartensSP SreeTI KorànyiGuy Marin

An experimental and kinetic modeling study of pyrolysis and combustion of acetone-butanol-ethanol (ABE) mixtures

Kevin Van GeemAlberto CuociAlessio FrassoldatiSteven PylGuy Marin

Application of microreactor technology for cyanohydrin production : extending the scope towards renewable resources

Ana CukalovicJean-Christophe MonbaliuBart RomanAnn De BlieckThomas HeugebaertJoris ThybautGuy MarinGeraldine HeynderickxChristian Stevens

Application of the Y-Procedure to a single-site reversible adsorption: CO on polycrystalline Pd

E RedekopG YablonskyDenis ConstalesD RamanchandranJ GleavesGuy Marin

Aqueous controlled radical polymerization of acrylamides: macromolecular engineering using kinetic modeling

Magali VachaudezDagmar D'hoogeMarie-Françoise ReyniersGuy MarinOlivier CoulembierPhilippe Dubois

Automatic reaction network generation using chemo-informatics

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

Automatic reaction network using chemo-informatics

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

Benzene hydrogenation on Pt3M bimetallic catalysts : a first principles study

Maarten SabbeGonzalo Canduela RodriguezLucia Lain AmadorMarie-Françoise ReyniersGuy Marin

Benzene hydrogenation on Pt3M bimetallic catalysts: first principles based reactivity descriptors

Maarten SabbeLucia Lain AmadorMarie-Françoise ReyniersGuy Marin

Biomass to olefins: cracking of renewable naphtha

Steven PylCarl SchietekatMarie-Françoise ReyniersRamin AbhariGuy MarinKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Catalyst design based on microkinetic models: oxidative coupling of methane

Joris ThybautJianjun SunLouis OlivierAndre C Van VeenClaude MirodatosGuy Marin

A1 Journal Article in CATALYSIS TODAY

Catalytic and molecular separation properties of Zeogrids and Zeotiles

Johan A MartenJoris ThybautJoeri FM DenayerSreeprasanth Pulinthanathu SreeAlexander AertsMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierAnita BuekenhoudtIvo Vankelecom et al.

A1 Journal Article in CATALYSIS TODAY

Comparison of Eulerian-Lagrangian and Eulerian-Eulerian method for dilute gas-solid flow with side inlet

SuryaNarayana Prasad VegendlaGeraldine HeynderickxGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Comprehensive CFD simulation of product yields and coking rates for a Floor- and wall-fired naphtha cracking furnace

Guihua HuHonggang WangFeng QianYu ZhangJinlong LiKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Comprehensive reaction mechanism for n-butanol pyrolysis and combustion

Michael R HarperKevin Van GeemSteven PylGuy MarinWilliam H Green

A1 Journal Article in COMBUSTION AND FLAME

Computational study of hydrodynamics in a gas/solid vortex reactor

Robert AshcraftJelena KovacevicGeraldine HeynderickxGuy Marin

Detailed molecular compositions of heavy oil fractions by comprehensive two-dimensional gas chromatographic analysis

Thomas DijkmansSteven PylCarl SchietekatKevin Van GeemGuy Marin

Effect of nanopore dimension and network topology on alkene sorption thermodynamics

Cuong Manh NguyenBart De MoorMarie-Françoise ReyniersGuy Marin

Equilibrium relationships for non-equilibrium chemical dependencies

Gregory YablonskyDenis ConstalesGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Erratum to 'Comprehensive reaction mechanism for n-butanol pyrolysis and combustion' [Combust. Flame 158 (2011) 16–41]

Michael R. HarperKevin Van GeemSteven PylShamel S. MerchantGuy MarinWilliam H. Green

Evaluation of coupling efficiency for radical thiol-ene chemistry

Pieter DerbovenDagmar D'hoogeMilan M. StamenovićPieter EspeelMarie-Françoise ReyniersFilip Du PrezGuy Marin

Experimental and computational study of T- and L-outlet effects in dilute riser flow

Gorik Van engelandtGeraldine HeynderickxJuray De WildeGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Experimental investigation of a gas-solid rotating bed reactor with static geometry

Rahul EkatpureVaishali SuryawanshiGeraldine HeynderickxAxel de BroquevilleGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING AND PROCESSING

Extension of the single-event methodology to metal catalysis : application to Fischer-Tropsch synthesis

Gisela Lozano BlancoK SurlaJoris ThybautGuy Marin

A1 Journal Article in OIL & GAS SCIENCE AND TECHNOLOGY-REVUE D IFP ENERGIES NOUVELLES

First principle kinetic studies of zeolite-catalyzed methylation reactions

Veronique Van SpeybroeckJeroen Van der MynsbruggeMatthias VandichelKaren HemelsoetDavid LesthaegheAn GhyselsGuy MarinMichel Waroquier

A1 Journal Article in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First principle-based simulation of ethane steam cracking

Maarten SabbeKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in AICHE JOURNAL

Fouling of heat exchangers in the convection section of a thermal cracker

Geraldine HeynderickxSandra De SchepperGuy Marin

Fundamental kinetic modelling of reactions in nanoporous materials: from free carbenium ion chemistry towards extreme shape selectivity

Bart VandegehuchteJoris ThybautPA JacobsJA MartensGuy Marin

Group additive modeling of biodiesel pyrolysis: methyldecanoate case study

Kevin Van GeemSteven PylMaarten SabbeZhiming ZhouMarie-Françoise ReyniersGuy Marin

Hydrogen production from methane and carbon dioxide by catalyst-assisted chemical looping

Vladimir GalvitaHilde PoelmanGuy Marin

A1 Journal Article in TOPICS IN CATALYSIS

Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase

Andrew AdamczyckMarie-Françoise ReyniersGuy MarinLinda J Broadbelt

A1 Journal Article in THEORETICAL CHEMISTRY ACCOUNTS

Improved catalyst design for oxidative coupling of methane

Cristina Estruch BoschJoris ThybautGuy MarinPaul Collier

Kinetic modeling as a tool to understand and improve the nitroxide mediated polymerization of styrene

Lien BenteinDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULAR THEORY AND SIMULATIONS

Kinetic modeling of the total oxidation of propane over Cu- and Ce-based catalysts

Veerle BalcaenHilde PoelmanDirk PoelmanGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Kinetic Monte Carlo modeling of precursor route synthesis for conjugated polymers

Paul Van SteenbergeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Kinetic Monte Carlo modeling of the sulfinyl precursor route for poly(p-phenylene vinylene) synthesis

Paul Van SteenbergeJoke VandenberghDagmar D'hoogeMarie-Françoise ReyniersPeter J AdriaensensLaurence LutsenDirk JM VanderzandeGuy Marin

A1 Journal Article in MACROMOLECULES

Kinetic study of the thermal rearrangement of cis- and trans-2-pinanol

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Kinetics of chemical reactions: decoding complexity

Guy MarinGrigoriy Yablonsky

Mathematical determination of reaction networks from transient kinetic experiments

Raf RoelantGuy MarinDenis Constales

Micro-kinetic modeling of aromatic hydrogenation on a Pt catalyst using the single-event concept

Tapan BeraJoris ThybautGuy Marin

Microkinetic modelling of toluene and o-xylene hydrogenation on a Pt catalyst

Tapan BeraJoris ThybautGuy Marin

Model-free deduction of connectivity features of reaction networks from thin-zone-TAP-data

Raf RoelantDenis ConstalesRoger Van KeerGuy Marin

Modeling of toluene acetylation with acetic anhydride on H-USY zeolite

Eileen A DejaegereJoris ThybautGuy MarinGino V BaronJoeri FM Denayer

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Modeling the composition of crude oil fractions using constrained homologous series

Steven PylZhen HouKevin Van GeemMarie-Françoise ReyniersGuy MarinMichael T Klein

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Modeling the gas-phase thermochemistry of organosulfur compounds

Aäron VandeputteMaarten SabbeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMISTRY-A EUROPEAN JOURNAL

Modeling the pyrolysis of methyldecenoate and methyldecanoate

Kevin Van GeemSteven PylNick VandewieleMaarten SabbeZhiming ZhouMarie-Françoise ReyniersGuy Marin

Modeling the thermal rearrangements of bicyclic monoterpenes

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

Multi-scale modeling of benzene hydrogenation on Pd-based bimetallic catalysts

Gonzalo Canduela RodriguezMaarten SabbeMarie-Françoise ReyniersJean-François JolyGuy Marin

Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropies

Bart De MoorAn GhyselsMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Numerical analysis of industrial model reactions in a gas/solid rotating bed reactor in a static geometry

Robert AshcraftJelena KovacevicGeraldine HeynderickxGuy Marin

Operando XANES study of the role of CeO2 in the oxidation of propane over CuO-CeO2/γ-Al2O3

Hilde PoelmanVladimir GalvitaPhilippe HeynderickxAnil Kumar MettuDirk PoelmanGuy Marin

Origin of the difference in branching in acrylates polymerization under controlled and free radical conditions: a computational study of competitive processes

Dominik KonkolewiczStanislaw SosnowskiDagmar D'hoogeRyszard SzymanskiMarie-Françoise ReyniersGuy MarinKrzysztof Matyjaszewski

A1 Journal Article in MACROMOLECULES

Periodic DFT-D study of the adsorption of C1-C4 alcohols in H-ZSM-5

Cuong Manh NguyenMarie-Françoise ReyniersGuy Marin

Physisorption and chemisorption of linear alkenes in zeolites: a combined QM-Pot(MP2//B3LYP:GULP)–statistical thermodynamics study

Cuong Manh NguyenBart De MoorMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Probability density function simulation of turbulent reactive gas-solid flow in an FCC riser

SNP VegendlaGeraldine HeynderickxGuy Marin

Process intensification via centrifugal enhancement in a gas-solid vortex reactor: effect of reaction properties on operating characteristics

Robert AshcraftJelena KovacevicGeraldine HeynderickxGuy Marin

Quantitative structure-descriptor relationships (QSDR) in heterogeneous catalysis : combining formulation and microkinetic modeling in methane oxidative coupling catalyst optimization

Louis OlivierThomas SerresAndré Van VeenClaude MirodatosPanagiotis KechagiopoulosJoris ThybautGuy Marin

Rapeseed oil methyl ester pyrolysis : on-line product analysis using comprehensive two-dimensionalgas chromatography

Steven PylCarl SchietekatKevin Van GeemMarie-Françoise ReyniersJoeri VercammenJan BeensGuy Marin

A1 Journal Article in JOURNAL OF CHROMATOGRAPHY A

Reaction and reactor analysis and design for process intensification and innovation

Reaction network for the total oxidation of toluene over CuO–CeO2/Al2O3

Unmesh MenonVladimir GalvitaGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Reaction path analysis of toluene total oxidation over CuO-CeO2/Al2O3

Unmesh MenonVladimir GalvitaGuy Marin

Reaction pathway analysis of methanol-to-hydrocarbons conversion

Pravesh KumarJoris ThybautGuy Marin

Reciprocal relations between kinetic curves

GS YablonskyA.N. GorbanDenis ConstalesVladimir GalvitaGuy Marin

A1 Journal Article in EPL-EUROPHYSICS LETTERS

Reciprocity and transport correction for thermodynamic time-invariances in thin-zone TAP reactors

Denis ConstalesGS YablonskyVladimir GalvitaGuy Marin

Role of CeO2 in the total oxidation of toluene over CuO-CeO2/Al2O3

Unmesh MenonVladimir GalvitaHilde PoelmanVitaliy BliznukGuy Marin

Single-event microkinetics of aromatics hydrogenation on Pt/H-ZSM22

Tapan BeraJoris ThybautGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Single-event microkinetics of hydrocarbon cracking on zeotype catalysts: effect of acidity and shape selectivity

Rhona Van BormGuy MarinMarie-Françoise Reyniers

Steam cracking of heavy oil fractions revisited

Carl SchietekatKevin Van GeemSteven PylThomas DijkmansMarie-Françoise ReyniersGuy Marin

Steam cracking of renewable feedstock: ab initio based modeling of thermochemistry

Paschalis ParaskevasMaarten SabbeMarie-Françoise ReyniersN PapayannakosGuy Marin

Temporal analysis of products: present status and perspectives

Guy MarinVladimir GalvitaDenis Constales

The quasi-steady state approximation in kinetics: application to some industrial reactions

Carl SchietekatGuy Marin

The total oxidation of propane over metal oxide catalysts: transient kinetics and monolith reactors

Veerle BalcaenGuy Marin

Theoretical study of the adsorption of the Butanol isomers in H-ZSM-5

Cuong Manh NguyenMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Thermal cracking of renewables for the sustainable production of chemicals and materials

Steven PylKevin Van GeemRamin AbhariMarie-Françoise ReyniersGuy Marin

Thermodynamic time-invariances: theory of TAP pulse-response experiments

Denis ConstalesGS YablonskyVladimir GalvitaGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Towards an optimal ethylene oligomerization catalyst based on single-event microkinetic modelling

Kenneth TochJoris ThybautGuy Marin

Towards an optimal ethylene oligomerization catalyst based on single-event microkinetic modelling

Kenneth TochJoris ThybautGuy Marin

Using artificial neural networks to reconstruct the composition of complex feedstocks

Steven PylKevin Van GeemMarie-Françoise ReyniersGuy Marin

2010

A coordinative saturated vanadium containing metal organic framework that shows a remarkable catalytic activity

Karen LeusIlke MuylaertVeronique Van SpeybroeckGuy MarinPascal Van Der Voort

A detailed study of the catalytic performance of V, Co and Cu MOFs in the oxidation of cyclohexene

Karen LeusIlke MuylaertAn VerberckmoesGuy MarinYing-Ya LiuVeronique Van SpeybroeckPascal Van Der Voort

A microkinetic vision on high-throughput catalyst formulation and optimization: development of an appropriate software tool

Konstantinos MetaxasJoris ThybautGuilhem MorraDavid FarrussengClaude MirodatosGuy Marin

A1 Journal Article in TOPICS IN CATALYSIS

A Single-Event MicroKinetic model for xylene isomerization and ethylbenzene dealkylation

Kenneth TochJoris ThybautBart VandegehuchteGuy Marin

Accurate chemistry for combustion and pyrolysis of alternative fuels: bio-butanol

Kevin Van GeemMR HarperSteven PylGuy MarinWilliam Green

Accurate high-temperature reaction networks for alternative fuels: butanol isomers

Kevin Van GeemSteven PylGuy MarinMichael R HarperWilliam H Green

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Accurate reaction networks for alternative fuels: butanol isomers

Kevin Van GeemMichael R HarperSteven PylGuy MarinWilliam H Green

Analytics driving kinetics: thermochemical conversion of heavy petroleum fractions

Steven PylKevin Van GeemMarie-Françoise ReyniersGuy MarinCarl Schietekat

Assessment of control in atom transfer radical polymerization and nitroxide mediated polymerization of styrene: a comparative study

Evelyn BurrickLien BenteinDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Assessment of simultaneous reaction and diffusion in n-hexane hydroisomerization on Pt/H-ZSM-5 using Single Event MicroKinetics

Joris ThybautIR ChoudhuryJA MartensJF DenayerGuy Marin

Atom transfer radical polymerization of isobornyl acrylate: a kinetic modeling study

Dagmar D'hoogeMarie-Françoise ReyniersFlorian J StadlerBart DervauxChristian BaillyFilip Du PrezGuy Marin

A1 Journal Article in MACROMOLECULES

Catalytic cracking of 2,2,4-trimethylpentane on FAU, MFI, and bimodal porous materials: influence of acid properties and pore topology

Rhona Van BormAlexander AertsMarie-Françoise ReyniersJohan A MartensGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Catalytic cracking of methylcyclohexane on FAU, MFI, and bimodal porous materials: influence of acid properties and pore topology

Rhona Van BormMarie-Françoise ReyniersJohan A MartensGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Catalytic cracking on FAU, MFI and BIPOMs : effect of acidity and framework topology

Rhona Van BormMarie-Françoise ReyniersGuy Marin

Coincidences in chemical kinetics: surprising news about simple reactions

GS YablonskyDenis ConstalesGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Combustion characteristics of alternative fuels : butanol isomers

Michael R HarperKevin Van GeemSteven PylGuy MarinWilliam H Green

Comprehensive 2D gas chromatography for thermochemical conversion processes of biomass

Kevin Van GeemSteven PylJan BeensJoeri VercammenMarie-Françoise ReyniersGuy Marin

Comprehensive 2D gas chromatography: the new standard for offline and online analysis of petrochemical samples

Kevin Van GeemSteven PylMarie-Françoise ReyniersJ VercammenJ BeensGuy Marin

Computer aided design and optimization of olefin production plants

Kevin Van GeemGuy Marin

Conception des procédés: un exemple de modélisation aux différentes échelles

Kevin Van GeemGuy Marin

Development of metal organic frameworks as heterogeneous catalysts

Karen LeusIlke MuylaertMatthias VandichelVeronique Van SpeybroeckGuy MarinPascal Van Der Voort

Development of vanadium-containing metal-organic frameworks as heterogeneous catalysts

Karen LeusM VandichelA VerberckmoesVeronique Van SpeybroeckGuy MarinPascal Van Der Voort

Experimental investigation and microkinetic modeling of methane oxidative coupling

BB EscuderoJoris ThybautGuy MarinL OlivierC MirodatosAC Van Veen

Experimental investigation of gas-solid rotating bed reactor in static geometry

Rahul EkatpureVU SuryawanshiGeraldine HeynderickxA de BroquevilleGuy Marin

First principles study of propane oxidation on supported and unsupported V2O5 catalysts: C-H bond activation and reaction path analysis

Konstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

From biomass to ethylene: steam cracking of renewable naphtha

Kevin Van GeemR AbhariSteven PylMarie-Françoise ReyniersGuy Marin

From biomass to ethylene: steam cracking of renewable naphtha

Kevin Van GeemSteven PylCarl SchietekatMarie-Françoise ReyniersGuy MarinR Abhari

Gas versus liquid phase aromatic hydrogenation kinetics on sulphided catalyst

Tapan BeraJoris ThybautGuy Marin

High Throughput development of catalysts for the oxidative coupling of methane (OCM) assisted by advanced microkinetics

L OlivierJ SunAC Van VeenJoris ThybautGuy MarinC Mirodatos

Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors

Maarten SabbeMarie-Françoise ReyniersMichel WaroquierGuy Marin

A1 Journal Article in CHEMPHYSCHEM

Identifiability of rate coefficients in linear reaction networks from isothermal transient-experimental data

Raf RoelantDenis ConstalesRoger Van KeerGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Improved catalyst design for oxidative coupling of methane

Cristina Estruch BoschJoris ThybautGuy MarinPaul Collier

Initiator efficiency modeling for vinyl chloride suspension polymerization

Joris WiemeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis

Andrew AdamczykMarie-Françoise ReyniersGuy MarinLinda J Broadbelt

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetic modeling of atom transfer radical and nitroxide mediated polymerization

Dagmar D'hoogeLien BenteinEvelyn BurrickMarie-Françoise ReyniersGuy Marin

Kinetic modeling of atom transfer radical polymerization of (meth)acrylates

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Kinetic modeling of quinoid polymerizations as precursor routes toward PPV synthesis: influence of reaction conditions on polymer yield

Paul Van SteenbergeJ VandenberghDJM VanderzandeMarie-Françoise ReyniersGuy Marin

Kinetic modeling of the sulfinyl route toward the synthesis of conjugated polymers : competition between anionic and radical initiation

Paul Van SteenbergeJoke VandenberghDirk JM VanderzandeMarie-Françoise ReyniersGuy Marin

Kinetic modeling of the total oxidation of propane over CuO-CeO2/γ-Al2O3

Philippe HeynderickxJoris ThybautHilde PoelmanDirk PoelmanGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Kinetic modelling of the formation and polymerization of para-quinodimethane derivatives for the synthesis of poly(para-phenylene vinylene) precursors

Paul Van SteenbergeMarie-Françoise ReyniersGuy MarinJoke VandenberghDirk JM Vanderzande

Kinetic study of the thermal rearrangement of cis- and trans-2-pinanol

Nick VandewieleKevin Van GeemMarie-Françoise ReyniersGuy Marin

Kinetics of substituted silylene addition and elimination in silicon nanocluster growth captured by group additivity

Andrew AdamczykMarie-Françoise ReyniersGuy MarinLinda J Broadbelt

A1 Journal Article in CHEMPHYSCHEM

Mathematics in chemical kinetics and engineering: preface to the MACKIE-2009 special issue

Denis ConstalesRoger Van KeerGuy MarinGeraldine Heynderickx

Editorial material

Methane aromatisation kinetics based upon elementary steps

Kae Shin WongJoris ThybautGuy Marin

Micromixing effects on series-parallel and autocatalytic reactions in a turbulent single-phase gas flow

SuryaNarayana Prasad VegendlaGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Microsystems and devices for (bio)chemical processes

Modeling of the adsorption of C1-C4 alcohols in H-ZSM-5

Cuong Manh NguyenMarie-Françoise ReyniersGuy Marin

Modeling the coke formation in the convection section tubes of a steam cracker

Sandra De SchepperGeraldine HeynderickxGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions

Maarten SabbeAäron VandeputteMarie-Françoise ReyniersMichel WaroquierGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular reconstruction of complex hydrocarbon mixtures: an application of principal component analysis

Steven PylKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in AICHE JOURNAL

Molecular single-event microkinetics of n-hexadecaneon hydrocracking Pt/H-BETA

Bart VandegehuchteJoris ThybautA MartinezMA ArribasGuy Marin

New modeling insights in SG1-mediated styrene polymerization

Lien BenteinDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

New routes to ethylene

Kevin Van GeemR AbhariSteven PylCarl SchietekatMarie-Françoise ReyniersGuy Marin

On-line analysis of complex hydrocarbon mixtures using comprehensive two-dimensional gas chromatography

Kevin Van GeemSteven PylMarie-Françoise ReyniersJoeri VercammenJan BeensGuy Marin

A1 Journal Article in JOURNAL OF CHROMATOGRAPHY A

Oxidative coupling of methane followed by oligomerization to liquids (OCMOL)

Pravesh KumarJoris ThybautGuy Marin

Oxidative coupling of methane followed by oligomerization to liquids (OCMOL)

Joris ThybautGuy Marin

Quick EXAFS measurements at SAMBA-SOLEIL:Cu K and Ce LIII edge

Hilde PoelmanVladimir GalvitaKonstantinos AlexopoulosAnil Kumar MettuS CrystolV BrioisMarie-Françoise ReyniersGuy Marin

Reaction mechanisms without borders: combustion of the butanol isomers from φ = 0.25 to φ = ∞

MR HarperKevin Van GeemSteven PylGuy MarinWH Green

Reaction network and kinetics for the catalytic total oxidation of toluene over CuO-CeO2/Al2O3

Vladimir GalvitaUnmesh MenonGuy Marin

Rotating fluidized bed in a static geometry (RFB-SG): determination of a range of stable operating conditions

RP EkatpureVU SuryawanshiGeraldine HeynderickxA de BroquevilleGuy Marin

Rotating fluidized bed with a static geometry: guidelines for design and operating conditions

Abhishek DuttaRahul EkatpureGeraldine HeynderickxAxel de BroquevilleGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Scale-up: thermodynamics and transport processes

Joris ThybautGuy Marin

Simulation of an industrial riser for catalytic cracking in the presence of coking using Single-Event MicroKinetics

R Quintana-SolórzanoJoris ThybautP GaltierGuy Marin

A1 Journal Article in CATALYSIS TODAY

Single-event microkinetic model based design of tailored zeolite catalysts through atomic layer deposition

Bart VandegehuchteJoris ThybautChristophe DetavernierDavy DeduytscheJolien DendoovenJOHAN MARTENSPS SreeprasanthTI KorányiGuy Marin

Steady-state simulation of Fluid Catalytic Cracking riser reactors using a decoupled solution method with feedback of the cracking reactions on the flow

Edward BaudrezGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING RESEARCH & DESIGN

Steam cracking of heavy oil fractions : harnessing on-line GCxGC

Steven PylCarl SchietekatKevin Van GeemMarie-Françoise ReyniersGuy Marin

Study of role of the lattice oxygen of copper species during total oxidation of toluene in TAP reactor

Unmesh MenonVladimir GalvitaGuy Marin

Synergy between shape selective and non-shape selective bifunctional zeolites modelled via the Single-Event MicroKinetic (SEMK) methodology

Indranil Roy ChoudhuryJoris ThybautP BalasubramanianJFM DenayerJA MartensGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

TAP investigation of hydrogen and carbon monoxide adsorption on a silica-supported cobalt catalyst

Jingping HongStanislas PietrzykAndrei Y KhodakovWei ChuMaria OleaVeerle BalcaenGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

TAP study on the active oxygen species in the total oxidation of propane over a CuO-CeO2/γ-Al2O3 catalyst

Veerle BalcaenRaf RoelantHilde PoelmanDirk PoelmanGuy Marin

A1 Journal Article in CATALYSIS TODAY

The catalytic performance of MIL-47 in the liquid phase oxidation of cyclohexene

Karen LeusIlke MuylaertMatthias VandichelGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexene oxidation

Karen LeusIlke MuylaertMatthias VandichelGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in CHEMICAL COMMUNICATIONS

The total oxidation of propane over supported Cu and Ce oxides: a comparison of single and binary metal oxides

Philippe HeynderickxJoris ThybautHilde PoelmanDirk PoelmanGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Theoretical study of the adsorption of C1-C4 primary alcohols in H-ZSM-5

Cuong Manh NguyenMarie-Françoise ReyniersGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical study of the effect of (001) TiO2 anatase support on V2O5

Konstantinos AlexopoulosPawel HejdukMalgorzata WitkoMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Theoretical study of the thermal decomposition of dimethyl disulfide

Aäron VandeputteMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Thermodynamics and transport processes in hydroconversion

Joris ThybautGuy Marin

Time-resolved operando X-ray absorption study of CuO-CeO2/Al2O3 catalyst during total oxidation of propane

Konstantinos AlexopoulosAnil Kumar MettuMarie-Françoise ReyniersHilde PoelmanSylvain CristolVeerle BalcaenPhilippe HeynderickxDirk PoelmanGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Toluene total oxidation over CuO-CeO2/Al2O3 catalyst: nature and role of oxygen species

Vladimir GalvitaUnmesh MenonGuy Marin

Toluene total oxidation over CuO-CeO2/Al2O3 catalyst: nature and role of oxygen species

Unmesh MenonVladimir GalvitaGuy Marin

2009

A generic methodology for microkinetic model construction and significant parameter estimation

Konstantinos MetaxasJoris ThybautGuy MarinG MorraD FarrussengC Mirodatos

A new approach to diagnostics of ideal and non-ideal flow patterns: the concept of reactive-mixing index (REMI) analysis

GS YablonskyDenis ConstalesGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

A theoretical study of the thermodynamics and kinetics of small organosulfur compounds

Aäron VandeputteMarie-Françoise ReyniersGuy Marin

A1 Journal Article in THEORETICAL CHEMISTRY ACCOUNTS

Ab initio based kinetic modeling for the simulation of industrial chemical processes

Maarten SabbeGuy MarinMarie-Françoise Reyniers

Ab initio modeling of the elementary reactions during thermal decomposition of polysulfides

Aäron VandeputteMarie-Françoise ReyniersGuy Marin

Ab initio study of in-situ nitroxide mediated polymerization : level of theory study and assessment of nitrone structure influences on thermodynamics and kinetics

Lien BenteinMarie-Françoise ReyniersGuy Marin

Advances in Chemical Engineering 35: engineering aspects of self-organizing materials

Advances in chemical engineering 36: photocatalytic technologies

Advances in Chemical Engineering 37: characterization of flow, particles and interfaces

Analysis of a transport equation for molar mass for steady-state simulation of reactive flow with variable, volumetric expansion

Edward BaudrezGeraldine HeynderickxGuy Marin

Analysis of elementary surface reactions in aromatic hydrogenation on Pt using Single-Event MicroKinetics

Joris ThybautGuy Marin

Application of Homotopy Perturbation Method (HPM) to solve particle population balance model of a circulating fluidized bed

Abhishek DuttaDenis ConstalesGeraldine HeynderickxGuy Marin

Assessment of synergetic and precursor effects in propane total oxidation over Cu- and Ce-based catalysts

Philippe HeynderickxJoris ThybautHilde PoelmanDirk PoelmanGuy Marin

Catalytic conversion of biogas to biofuels: TAP studies

M OleaT SasakiN AokiAY KhodakovVeerle BalcaenW WangS PietrzykA AdgarSN HodgsonK Mae et al.

Coke formation in the Transfer Line Exchanger (TLE) during steam cracking of hydrocarbons

Kevin Van GeemInge DhuyvetterSerge ProkopievMarie-Françoise ReyniersDominique ViennetGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Coupled simulation of the flue gas and process gas side of a steam cracker convection section

Sandra De SchepperGeraldine HeynderickxGuy Marin

A1 Journal Article in AICHE JOURNAL

Deposition and characterisation of vanadium oxide thin films: linking single crystal and supported catalyst

Hilde PoelmanGeert SilversmitDirk PoelmanGuy MarinB.S. Sels

A1 Journal Article in CATALYSIS TODAY

Design of optimum zeolite pore system for central hydrocracking of long-chain n-alkanes based on a Single-Event MicroKinetic model

Joris ThybautIndranil Roy ChoudhuryJoeri F DenayerGino V BaronPierre A JacobsJohan A MartensGuy Marin

A1 Journal Article in TOPICS IN CATALYSIS

Effect of operating conditions and feedstock composition on run length of steam cracking coils

Kevin Van GeemMarie-Françoise ReyniersSteven PylGuy MarinZhiming Zhou

Effect of process conditions and feedstock composition on run lengths of steam cracking coils

Kevin Van GeemZhiming ZhouMarie-Françoise ReyniersGuy Marin

Experimental investigation of rotating fluidized bed in static geometry

Rahul EkatpureGeraldine HeynderickxAxel De BroquevilleGuy Marin

Exploring 1,2-Hydrogen shift in silicon nanoparticles with G3//B3LYP: application of transition state group additivity

Andrew J AdamczykLinda J BroadbeltMarie-Françoise ReyniersGuy Marin

Exploring 1,2-hydrogen shift in silicon nanoparticles: reaction kinetics from quantum chemical calculations and derivation of Transition State Group Additivity (TSGA) database

Andrew J AdamczykMarie-Françoise ReyniersGuy MarinLinda J Broadbelt

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

First principles based simulations of steam cracking of ethane/propane and ethane/butane mixtures

Maarten SabbeKevin Van GeemMarie-Françoise ReyniersGuy Marin

Hydrogen abstraction from hydrocarbons: modeling of activation energies and pre-exponential factors

Maarten SabbeAäron VandeputteMarie-Françoise ReyniersGuy Marin

Importance of radical transfer in precipitation polymerization: the case of vinyl chloride suspension polymerization

Joris WiemeDagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULAR REACTION ENGINEERING

In situ X-ray absorption study of CuO-CeO2/Al2O3 catalysts in the total oxidation of propane

Anil Kumar MettuKonstantinos AlexopoulosMarie-Françoise ReyniersHilde PoelmanS CristolVeerle BalcaenPhilippe HeynderickxDirk PoelmanGuy Marin

In situ X-ray absorption study of the total oxidation of propane over CuO-CeO2/Al2O3

Konstantinos AlexopoulosMarie-Françoise ReyniersHilde PoelmanS CristolVeerle BalcaenPhilippe HeynderickxDirk PoelmanGuy Marin

In-situ XAS study of the Cu and Ce local structural changes in a CuO CeO2/Al2O3 catalyst under propane reduction and re-oxidation

Geert SilversmitHilde PoelmanVeerle BalcaenPhilippe HeynderickxMaria OleaSerge NikitenkoWim BrasPhilippe SmetDirk PoelmanRoger De Gryse et al.

A1 Journal Article in JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Investigation of reactive center substituent effects on the primary reaction classes during silicon hydride pyrolysis: novel methodology for Arrhenius parameter estimation

Andrew J AdamczykMarie-Françoise ReyniersGuy MarinLinda J Broadbelt

Isothermal characterization of linear catalytic reaction networks from transient experiments

Raf RoelantDenis ConstalesRoger Van KeerGuy Marin

Kinetic modeling of the total oxidation of propane over anatase and vanadia sputter deposited catalysts

Philippe HeynderickxJoris ThybautHilde PoelmanDirk PoelmanGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Linking polymer properties to process conditions for vinyl chloride suspension polymerization processes

Joris WiemeMarie-Françoise ReyniersGuy Marin

Methodology for kinetic modeling of atom transfer radical polymerization

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULAR REACTION ENGINEERING

Microkinetic analysis and optimisation of methane oxidative coupling

Joris ThybautJianjun SunGuy MarinLouis OlivierAndré Van VeenClaude Mirodatos

Microkinetic model construction with significant parameter estimation

Konstantinos MetaxasJoris ThybautGuy MarinG MorraD FarrussengClaude Mirodatos

Microkinetic modeling of structural properties of poly(vinyl chloride)

Joris WiemeMarie-Françoise ReyniersGuy Marin

A1 Journal Article in MACROMOLECULES

Modeling the evaporation of a hydrocarbon feedstock in the convection section of a steam cracker

Sandra De SchepperGeraldine HeynderickxGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Molecule-based kinetic modeling of steam cracking

Multi-scale modeling and design of catalytic reactions

Multi-scale modeling and design of heterogeneously catalyzed reactions

Joris ThybautMarie-Françoise ReyniersGuy Marin

New modeling strategy for atom transfer radical polymerization

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

On the role of CO2 in the total oxidation of propane over a CuO-CeO2/Al2O3 catalyst

Veerle BalcaenHilde PoelmanDirk PoelmanGuy Marin

Physisorption and chemisorption of alkanes and alkenes in H-FAU: a combined ab initio – statistical thermodynamics study

Bart De MoorMarie-Françoise ReyniersGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Probability Density Function (PDF) simulation of turbulent reactive gas-solid flow in a riser

SuryaNarayana Prasad VegendlaGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING & TECHNOLOGY

Resonance stabilization during the group additive modeling of the kinetics of hydrogen abstraction from hydrocarbons

Maarten SabbeAäron VandeputteMarie-Françoise ReyniersMichel WaroquierGuy Marin

Rotating fluidized bed in a static geometry (RFB-SG): determination of a range of stable operating conditions

Rahul EkatpureVaishali SuryawanshiGeraldine HeynderickxAxel de BroquevilleGuy Marin

Simulation of a slurry-bubble column reactor for Fischer-Tropsch synthesis using single-event microkinetics

Gisela Lozano BlancoJoris ThybautKarine SurlaPierre GaltierGuy Marin

A1 Journal Article in AICHE JOURNAL

Simulation of an industrial riser for the catalytic cracking of a partially hydrotreated gas oil

R Quintana-SolórzanoJoris ThybautP GaltierGuy Marin

Single Event Microkinetic modeling of n-hexane hydroisomerization on Pt/H-ZSM-5

Indranil Roy ChoudhuryJoris ThybautJoeri FM DenayerJohan A MartensGuy Marin

Single event microkinetics of (cyclo)alkane cracking on Y and ZSM-5 zeolites

Rhona Van BormMarie-Françoise ReyniersGuy Marin

Stationaire kinetische modellering van de totale oxidatie van propaan over metaaloxidekatalysatoren

Philippe HeynderickxGuy MarinJoris Thybaut

Synergetic and precursor effects in propane total oxidation over Cu- and Ce-based catalysts

Philippe HeynderickxJoris ThybautHilde PoelmanDirk PoelmanGuy Marin

TAP study on the total oxidation of propane over a CuO-CeO2/gamma-Al2O3 catalyst

Veerle BalcaenRaf RoelantHilde PoelmanDirk PoelmanGuy Marin

Temporal analysis of products reactor as a complementary tool to study the mechanism of some green catalytic reactions

Maria OleaMizuki TadaYasuhiro IwasawaVeerle BalcaenIsabelle SackGuy MarinDirk PoelmanHilde Poelman

A1 Journal Article in JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

Theoretical insights on methylbenzene side-chain growth in ZSM-5 zeolites for methanol-to-olefin conversion

David LesthaegheAnnelies HorréMichel WaroquierGuy MarinVeronique Van Speybroeck

A1 Journal Article in CHEMISTRY-A EUROPEAN JOURNAL

Thermodynamics and kinetics of in situ nitroxide mediated polymerization

Lien BenteinMarie-Françoise ReyniersGuy Marin

TiO2 thin films for photocatalytic applications

Karin EufingerDirk PoelmanHilde PoelmanRoger De GryseGuy Marin

Bookchapter in Thin solid films : process and applications

Transforming chemistry from postdictive to predictive: extensible automated reaction mechanism generation for butanol pyrolysis

Michael R HarperKevin Van GeemGuy MarinWilliam H Green

Transient kinetic modelling of the oxidative dehydrogenation of propane over a vanadia-based catalyst in the absence of O2

Veerle BalcaenI SackM OleaGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Understanding segregation and mixing effects in a riser using the quadrature method of moments

Abhishek DuttaJaron RaeckelboomGeraldine HeynderickxGuy Marin

2008

A hybrid Single-Event Microkinetic (SEMK) model for the synergy between shape selective and non selective bifunctional zeolites

Indranil Roy ChoudhuryJoris ThybautP BalasubramanianJFM DenayerJA MartensGuy Marin

A joined theoretical-experimental investigation on the 1H and 13C NMR signatures of defects in poly(vinyl chloride)

Philippe d’AntuonoEdith BotekBenoit ChampagneJoris WiemeMarie-Françoise ReyniersGuy MarinPeter G AdriaensensJan M Gelan

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

A Microkinetic vision on high-throughput catalyst formulation and optimization: development of an appropriate software tool

Joris ThybautKonstantinos MetaxasG MorraD FarrussengC MirodatosGuy Marin

A new methodology to probe shape selectivity in porous adsorbents

L. I. DevrieseJ. A. MartensJoris ThybautGuy MarinG. V. BaronJ. F.M. Denayer

A1 Journal Article in MICROPOROUS AND MESOPOROUS MATERIALS

Ab initio modeling of propene oxidation on V2O5 catalysts

Konstantinos AlexopoulosMarie-Françoise ReyniersGuy Marin

Ab initio modelling of steam cracking

Maarten SabbeKevin Van GeemMarie-Françoise ReyniersGuy Marin

Ab initio study of alkene activation on vanadium oxide based catalysts

Konstantinos AlexopoulosMarie-Françoise ReyniersHilde PoelmanGuy Marin

Alkylation of benzene with alkenes in acidic zeolites: an ab initio study

Bart De MoorLien BenteinMarie-Françoise ReyniersGuy Marin

Assessment of dominant factors affecting hydroisomerization on bifunctional zeolites

A. FúnezJoris ThybautGuy MarinP. SánchezA. De LucasJ.L. Valverde

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Automotive emission control

Carbon-centered radical addition and beta-scission reactions: Modeling of activation energies and pre-exponential factors

Maarten SabbeMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

A1 Journal Article in CHEMPHYSCHEM

Catalytic cracking of (cyclo)alkanes on FAU and MFI zeolites

Rhona Van BormMarie-Françoise ReyniersGuy Marin

CFD modeling of all gas-liquid and vapor-liquid flow regimes predicted by the Baker chart

Sandra De SchepperGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Challenges of modeling steam cracking of heavy feedstocks

Kevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE

Coupled simulation of the convection section of a steam cracker

SCK De SchepperR De MeesterGeraldine HeynderickxGuy Marin

Deposition and characterization of vanadium oxide thin films

Hilde PoelmanGeert SilversmitDirk PoelmanGuy MarinBert Sels

Dynamic methods for catalytic kinetics

Rob J BergerFreek KapteijnJacob A MoulijnGuy MarinJuray De WildeMaria OleaDe ChenAnders HolmenLuca LiettiEnrico Tronconi et al.

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Energy efficiency of the cold train of an ethylene cracker

Kevin Van GeemGuy MarinNick HedebouwJacques Grootjans

A1 Journal Article in OIL GAS-EUROPEAN MAGAZINE

Evaluation of high-emissivity coatings in steam cracking furnaces using a non-grey gas radiation model

Georgios StefanidisKevin Van GeemGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Experimental investigation of a rotating fluidized bed in a static geometry

Rahul EkatpureGeraldine HeynderickxAxel de BroquevilleGuy Marin

First Principles Based Group Additive Values for the Gas Phase Standard Entropy and Heat Capacity of Hydrocarbons and Hydrocarbon Radicals

Maarten SabbeF DE VLEESCHOUWERMarie-Françoise ReyniersMichel WaroquierGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

First principles based simulations of of steam cracking of light hydrocarbons

Kevin Van GeemMaarten SabbeMarie-Françoise ReyniersGuy Marin

Influence of silicon and silicon/sulfur-containing additives on coke formation during steam cracking of hydrocarbons

Jidong WangMarie-Françoise ReyniersKevin Van GeemGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Kinetic model discrimination for propane total oxidation over CuO-CeO2/g-Al2O3

Philippe HeynderickxJoris ThybautHilde PoelmanGuy Marin

Kinetic modeling of atom transfer radical polymerization: linking control to reaction rates

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Kinetic modeling of the atom transfer radical polymerization of methyl methacrylate: conditions for control

Dagmar D'hoogeMarie-Françoise ReyniersGuy Marin

Kinetic Modelling of Ethylene Hydroformylation to Propanol

Nima NavidiGisela Lozano BlancoJoris ThybautGuy Marin

Kinetics as a tool for catalyst design

Marie-Françoise ReyniersJoris ThybautGuy Marin

Mastering simultaneous reaction and diffusion through Single Event Microkinetic modeling of n-alkane hydroconversion on Pt/H-ZSM-5

Indranil Roy ChoudhuryJoris ThybautJoeir DenayerGuy Marin

Mathematics and chemical engineering and kinetics

Microkinetic assessment of propane selective oxidation to acrylic acid

Konstantinos MetaxasJoris ThybautFrederik N NaraschewskiJohannes A LercherAndreas JentysGuy Marin

Microkinetic model of the methanol-to-olefins process

Gisela Lozano BlancoJoris ThybautGuy Marin

Microkinetics of methane oxidative coupling

Jianjun SunJoris ThybautGuy Marin

A1 Journal Article in CATALYSIS TODAY

Model discrimination for propane total oxidation over CuO-CeO2/γ-Al2O3

Philippe HeynderickxJoris ThybautHilde PoelmanGuy Marin

Naphthalene hydrogenation over a NiMo/gamma-Al2O3 catalyst: Experimental study and kinetic modelling

C. M. Cortés RomeroJoris ThybautGuy Marin

A1 Journal Article in CATALYSIS TODAY

PETR 156-energy efficient design of the cold train of a steam cracker

Kevin Van GeemGuy MarinJacques Grootjans

Physisorption and chemisorption of alkenes: ab initio study of the influence of alkene structure and zeolite topology

Bart De MoorMarie-Françoise ReyniersGuy Marin

Physisorption and chemisorption of hydrocarbons in H-FAU using QM-Pot(MP2//B3LYP) calculations

Bart De MoorMarie-Françoise ReyniersM SIERKAJ SAUERGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Guy MarinDH WestGS Yablonsky

Editorial material

Editorial material

Probability Density Function simulation (PDF) of turbulent reactive gas-solid flow in a FCC riser

SuryaNarayana Prasad VegendlaGeraldine HeynderickxGuy Marin

Probability Density Function simulation of turbulent reactive gas-solid flow in a riser

SuryaNarayana Prasad VegendlaGuy MarinGeraldine Heynderickx

Reaction path analysis of the total oxidation of propane over a CuO-CeO2/γ-Al2O3 catalyst by means of Temporal Analysis of Products (TAP)

Veerle BalcaenRaf RoelantHilde PoelmanGuy Marin

Second-order statistical regression and conditioning of replicate transient kinetic data

Raf RoelantDenis ConstalesRoger Van KeerGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Single-event microKinetic (SEMK) modeling of n-alkane hydriconversion on medium-pore zeolites : identification of catalyst descriptors accounting for shape selectivity

Indranil Roy ChoudhuryGuy MarinJoris Thybaut

Single-event microkinetic model for Fischer-Tropsch synthesis on iron-based catalysts

Gisela Lozano BlancoJoris ThybautK. SurlaP. GaltierGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Suspension polymerization reactions and reactors

Joris WiemeMarie-Françoise ReyniersGuy Marin

Taking optimal advantage of feedstock flexibility with Coilsim1D

Kevin Van GeemMarie-Françoise ReyniersGuy Marin

Temporal analysis of products reactor as a complementary tool to study the mechanism of some green catalytic reactions

M OleaM TadaY IwasawaV BalcaenI SackGuy MarinHilde Poelman

Transient kinetic studies of Fischer-Tropsch synthesis over Co/SiO2 catalysts

J HongS PietrzykVeerle BalcaenM OleaGuy MarinW ChuY Khodakov

Transition State Group Additivity: a novel scheme to predict reaction barriers from quantum chemical calculations for kinetic model development of silicon hydride nanoparticle formation

Andrew AdamczykLJ BroadbeltMarie-Françoise ReyniersGuy Marin

Trends in chemical reaction engineering

Using elementary reactions to model growth processes of polyaromatic hydrocarbons under pyrolysis conditions of light feedstocks

Karen HemelsoetVeronique Van SpeybroeckKevin Van GeemGuy MarinMichel Waroquier

A1 Journal Article in MOLECULAR SIMULATION

Zeolitic bi-porous materials for adsorption, catalysis and membranes

A BeukenhoudtK WynsJ MartensP JacobsG Van TendelooRhona Van BormGuy MarinJ DenayerG Baron

2007

A joined theoretical-experimental investigation on the H-1 and C-13 NMR chemical shifts of chloro-alkenes

Philippe d'AntuonoEdith BotekBenoit ChampagneJoris WiemeMarie-Françoise ReyniersGuy MarinPeter J AdriaensensJan M Gelan

A1 Journal Article in CHEMICAL PHYSICS LETTERS

A microKinetic engine for metal and acid catalyzed reactions

Joris ThybautP BalasubramaniamGuy Marin

A rotating fluidized bed in a static geometry: experimental proof of concept

J De WildeGuy MarinGeraldine HeynderickxA De Broqueville

A Single-Event MicroKinetic analysis of the catalytic cracking of (cyclo)alkanes on an equilibrium catalyst in the absence of coke formation

Roberto Quintana-SolórzanoJoris ThybautGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Ab initio study of the mechanism of the thermal decomposition of acyclic polysulfides

Aäron VandeputteMarie-Françoise ReyniersGuy Marin

Ab initio thermochemistry and kinetics for carbon-centered radical addition and beta-scission reactions

Maarten SabbeAäron VandeputteMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Accounting for large density variations in the steady-state simulation of fluid catalytic cracking

Edward BaudrezGeraldine HeynderickxJuray De WildeGuy Marin

Aggregation state effects in shape-selective hydroconversion

CS Laxmi NarasimhanJoris ThybautJF DenayerGV BaronPA JacobsJA MartensGuy Marin

Aggregation state effects in shape-selective hydroconversion

CS Laxmi NarasimhanJoris ThybautJF DenayerGV BaronPA JacobsJA MartensGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

An in-situ XAS study of the structural changes in a CuOCeO2/Al2O3 Catalyst during total oxidation of propane

Geert SilversmitMaria OleaHilde PoelmanVeerle BalcaenPhilippe HeynderickxDirk PoelmanRoger De GryseGuy Marin

Applicability of XPS imaging to non-flat model catalysts

P EloyMJ GenetA KlisinskaHilde PoelmanK EufingerDirk PoelmanRoger De GryseGuy MarinE Gaigneaux

Assessment of filtered gas-solid momentum transfer models via a linear wave propagation speed test

Juray De WildeDenis ConstalesGeraldine HeynderickxGuy Marin

A1 Journal Article in INTERNATIONAL JOURNAL OF MULTIPHASE FLOW

Challanges of Modeling Steam cracking of heavy feedstocks

Kevin Van GeemGuy MarinMarie-Françoise Reyniers

Chemical engineering kinetics

DC magnetron sputter deposited vanadia catalysts for oxidation processes

M OLEAI SACKVeerle BalcaenGuy MarinHilde PoelmanKarin EufingerDirk PoelmanRoger De GryseJS PAULBF SELS et al.

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Development of a fundamental kinetic model for the simulation of pilot- and industrial scale batch suspension polymerization reactors

Joris WiemeMarie-Françoise ReyniersGeraldine HeynderickxGuy Marin

Development of an integrated informatics toolbox: HT kinetic and virtual screening

D FARRUSSENGF CLERCC MIRODATOSN AZAMF GILARDONIJoris ThybautP BALASUBRAMANIAMGuy Marin

A1 Journal Article in COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Dimensional analysis for scaling up and down steam cracking coils

Kevin Van GeemRobert ZajdlikMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Effect of microstructure and crystallinity on the photocatalytic activity of TiO2 thin films deposited by dc magnetron sputtering

Karin EufingerDirk PoelmanHilde PoelmanRoger De GryseGuy Marin

A1 Journal Article in JOURNAL OF PHYSICS D-APPLIED PHYSICS

Effect of substrate sodium content on crystallization and photocatalytic activity of TiO2 films prepared by DC magnetron sputtering

Henryk TomaszewskiKarin EufingerHilde PoelmanDirk PoelmanRoger De GrysePhilippe SmetGuy Marin

A1 Journal Article in INTERNATIONAL JOURNAL OF PHOTOENERGY

Effects of acid properties of Y zeolites on the liquid-phase alkylation of benzene with 1-octene: a reaction path analysis

Iftemie Ionel CraciunMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Energy efficiency of the cold train of an ethylene cracker

Kevin Van GeemJacques GrootjansGuy Marin

Experimental and numerical study of the new concept of a rotating fluidized bed in a static geometry

J De WildeL WautierGuy MarinGeraldine HeynderickxA de Broqueville

Experimental investigation of a rotating fluidized bed in a static geometry

Juray De WildeGuy MarinGeraldine HeynderickxAxel de Broqueville

Experimental investigation of a rotating fluidized bed in a static geometry

Juray De WildeGuy MarinGeraldine HeynderickxAxel de Broqueville

Experimental study of inlet phenomena of 35 degrees inclined non-aerated and aerated Y-inlets in a dilute cold-flow riser

Gorik Van engelandtJuray DE WILDEGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Formation of ZSM-22 zeolite catalytic particles by fusion of elementary nanorods

Kazuaki HayasakaDuoduo LiangWard HuybrechtsBart R De WaeleKristof J HouthoofdPierre EloyEric M GaigneauxGustaaf Van TendelooJoris ThybautGuy Marin et al.

A1 Journal Article in CHEMISTRY-A EUROPEAN JOURNAL

Gray/nongray gas radiation modeling in steam cracker CFD calculations

Georgios StefanidisBart MerciGeraldine HeynderickxGuy Marin

A1 Journal Article in AICHE JOURNAL

Influence of the d.c. magnetron sputter deposition process on the photocatalytic activity of amorphous TiO2 thin films

Karin EufingerDirk PoelmanHilde PoelmanRoger De GryseGuy Marin

A2 Journal Article in VACUUM TECHNOLOGY AND COATING

Influence of the reaction conditions on the liquid phase hydroisomerization of n-octane: modelling of the reaction kinetics

A FúnezJoris ThybautGuy MarinA De LucasP SánchezJL Valverde

Magnetron sputter deposition for catalyst synthesis

Hilde PoelmanKarin EufingerDiederik DeplaDirk PoelmanRoger De GryseBF SelsGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Microkinetic analysis of Fischer-Tropsch synthesis on Fe and Co catalysts

Gisela Lozano BlancoJoris ThybautKarine SurlaPierre GaltierGuy Marin

Microkinetic analysis of methane oxidative coupling

Jianjun SunJoris ThybautGuy Marin

Microkinetic modeling in high-throughput workflows

SC CruzJoris ThybautGuy MarinD FarrusengF Gilardoni

Microkinetic modeling of structural properties of poly(vinyl chloride)

Joris WiemeGuy MarinMarie-Françoise Reyniers

Modeling elementary reactions in coke formation from first principles

Veronique Van SpeybroeckKaren HemelsoetBert MinnerGuy MarinMichel Waroquier

A1 Journal Article in MOLECULAR SIMULATION

Modelling the formation of structural defects during the suspension polymerization of vinyl chloride

Joris WiemeGuy MarinMarie-Françoise Reyniers

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Molecular reconstruction of naphtha steam cracking feedstocks based on commercial indices

Kevin Van GeemDamien HudebineMarie-Françoise ReyniersFrancois WahlJan J. VerstraeteGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Multi-scale Modeling for Chemical Reactors

Multiscale modeling of catalytic reactions

New supported vanadia catalysts for oxidation reactions prepared by sputter deposition

Hilde PoelmanBF SELSM OLEAKarin EufingerJS PAULB MOENSI SACKVeerle BalcaenF BERTINCHAMPSEM GAIGNEAUX et al.

A1 Journal Article in JOURNAL OF CATALYSIS

Noise in temporal analysis of products (TAP) pulse responses

Raf RoelantDenis ConstalesGS YABLONSKYRoger Van KeerMA RUDEGuy Marin

A1 Journal Article in CATALYSIS TODAY

Photocatalytic activity of dc magnetron sputter deposited amorphous TiO2 thin films

Karin EufingerDirk PoelmanHilde PoelmanRoger De GryseGuy Marin

A1 Journal Article in APPLIED SURFACE SCIENCE

Editorial material

Quantifying the relative importance of the elementary steps involved in the cracking of (cyclo)alkanes via a microkinetic analysis

R Quintana SolórzanoJoris ThybautGuy Marin

Reconstruction of the molecular composition of complex feedstocks for petrochemical production processes

Kevin Van GeemMarie-Françoise ReyniersGuy Marin

Refinement of the supramolecular concept in methanol-to-olefin catalysis

David LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

Regression of Transient Kinetic Data

Raf RoelantDenis ConstalesRoger Van KeerGuy Marin

SEMK Model for n-alkane Hydroconversion on ZSM-22: role of catalyst descriptors in shape selective catalyst design

Indranil Roy ChoudhuryJoris ThybautGuy Marin

Simulation of an industrial slurry-bubble column reactor for Fischer-Tropsch synthesis applying Single-Event MicroKinetics

Gisela Lozano BlancoJoris ThybautK SurlaP GaltierGuy Marin

Simulation of pilot- and industrial-scale vinyl chloride batch suspension polymerization reactors

Joris WiemeTony De RooGuy MarinGeraldine Heynderickx

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Single event microkinetics of alkane cracking on FAU and MFI zeolites

Rhona Van BormMarie-Françoise ReyniersGuy Marin

Single-Event MicroKinetics for coke formation during the catalytic cracking of (cyclo)alkane/1-octene mixtures

R Quintana-SolórzanoJoris ThybautP GaltierGuy Marin

A1 Journal Article in CATALYSIS TODAY

Single-event microkinetics for metal catalysis: Fischer-Tropsch synthesis

Gisela Lozano BlancoGuy Marin

Speeding up gas-solid flow calculations with variable gas density

J De WildeEdward BaudrezGeraldine HeynderickxGuy Marin

Standard enthalpy of formation, entropy and heat capacity of hydrocarbons and hydrocarbon radicals: first principles group additive values

Maarten SabbeF De VleeschouwerVeronique Van SpeybroeckMichel WaroquierMarie-Françoise ReyniersGuy Marin

Tackling the methanol-to-olefin problem through theoretical calculations : direct mechanisms vs. hydrocarbon pool model

David LesthaegheBart De SterckVeronique Van SpeybroeckGuy MarinMichel Waroquier

The rise and fall of direct mechanisms in methanol-to-olefin catalysis: An overview of theoretical contributions

David LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Theoretical study of the thermodynamics and kinetics of hydrogen abstractions from hydrocarbons

Aäron VandeputteMaarten SabbeMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Total oxidation of volatile organic compounds over CuO-CeO2/γ-Al2O3 catalyst by means of steady-state experiments

Philippe HeynderickxJoris ThybautHilde PoelmanGuy Marin

Two-stage kinetic model for naphthalene hydrogenation on NiMo γAl2O3

Joris ThybautC Cortes RomeroGuy Marin

Unraveling the Reaction Mechanism of Industrial Processes in Zeolite Catalysis: a Quantum Chemical Approach

David LesthaegheVeronique Van SpeybroeckGuy Marin

Using elementary reactions to model growth processes of polyaromatic hydrocarbons under pyrolysis conditions of light feedstocks

Karen HemelsoetVeronique Van SpeybroeckKevin Van GeemGuy MarinMichel Waroquier

Zeolite shape-selectivity in the gem-methylation of aromatic hydrocarbons

David LesthaegheBart De SterckVeronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

2006

3d Steady state riser simulations using filtered gas-solid momentum transfer models

Juray De WildeGeraldine HeynderickxGuy Marin

A comparative XPS and UPS study of VOx layers on mineral TiO2(001)-anatase supports

Geert SilversmitHilde PoelmanDiederik DeplaN BARRETTGuy MarinRoger De Gryse

A1 Journal Article in SURFACE AND INTERFACE ANALYSIS

A fit procedure to determine the mean vanadium oxidation state from V2p phtotelectron spectra

Geert SilversmitDiederik DeplaHilde PoelmanGuy MarinRoger De Gryse

A4 Journal Article in BELVAC NEWS

A kinetic study of the reduction and the reoxidation of vanadia-based catalysts by temporal analysis of products

Isabelle SackGuy Marin

A rotating fluidized bed in a static geometry: experimental proof of concept

J De WildeGuy MarinGeraldine HeynderickxA De Broqueville

A Single-Event MicroKinetic model for the catalytic cracking of (cyclo)alkanes on a commercial equilibrium catalyst

R Quintana-SolórzanoJoris ThybautGuy Marin

A unified single-event microkinetic model for alkane hydroconversion in different aggregation states on Pt/H-USY-zeolites

CSL NARASIMHANJoris ThybautJA MARTENSPA JACOBSJF DENAYERGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

Ab initio group contribution method for activation energies of hydrogen abstraction reactions

Mark SaeysMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

A1 Journal Article in CHEMPHYSCHEM

Ab initio rate coefficients for hydrogen abstraction reactions

Maarten SabbeAäron VandeputteMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

Adsorption of cyclohexadiene, cyclohexene and cyclohexane on Pt(111)

Mark SaeysMarie-Françoise ReyniersM. NeurockGuy Marin

A1 Journal Article in SURFACE SCIENCE

An in-situ reduction/oxidation XAS study on the EL10V8 VOx/TiO2(Anatase) powder catalyst

Geert SilversmitHilde PoelmanIsabelle SackG BUYLEGuy MarinRoger De Gryse

A1 Journal Article in CATALYSIS LETTERS

An in-situ reduction/oxidation XAS study on the EL10V8 VOx/TiO2(anatase) powder catalyst

Geert SilversmitHilde PoelmanIsabelle SackGuy BuyleGuy MarinRoger De Gryse

An in-situ XAS study of the structural changes in a CuO-CeO2/Al2O3 catalyst during the total oxidation of propane

Geert SilversmitMaria OleaHilde PoelmanVeerle BalcaenPhilippe HeynderickxDirk PoelmanRoger De GryseGuy Marin

An in-situ XAS study of the structural changes in a CuO-CeO2/Al2O3 catalyst during the total oxidation of propane

Geert SilversmitMaria OleaHilde PoelmanVeerle BalcaenPhilippe HeynderickxDirk PoelmanRoger De GryseGuy Marin

An XPS study on the surface reduction of V2O5(001) induced by Ar+ ion bombardment

Geert SilversmitDiederik DeplaHilde PoelmanGuy MarinRoger De Gryse

A1 Journal Article in SURFACE SCIENCE

Automatic reaction network generation using RMG for steam cracking of n-hexane

Kevin Van GeemMarie-Françoise ReyniersGuy MarinJ SONGWH GREENDM MATHEU

A1 Journal Article in AICHE JOURNAL

Bifunctional catalytic isomerization of decane over MTT-type aluminosilicate zeolite crystals with siliceous rim

W HUYBRECHTSJoris ThybautBR DE WAELEG VANBUTSELEKJ HOUTHOOFDF BERTINCHAMPSJFM DENAYEREM GAIGNEAUXGuy MarinGV BARON et al.

A1 Journal Article in JOURNAL OF CATALYSIS

Bridging the gap between liquid and vapor phase hydrocracking

Joris ThybautCSL NARASIMHANGuy Marin

A1 Journal Article in CATALYSIS TODAY

Catalytic cracking and coking of (cyclo)alkane/1-octene mixtures on an equilibrium catalyst

R QUINTANA-SOLORZANOJoris ThybautGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

CFD simulations of steam cracking furnaces using detailed combustion mechanisms

Georgios StefanidisBart MerciGeraldine HeynderickxGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Chemisorption of alkenes in H-FAU: description of the alkoxide bond using a combined QM/MM approach

Bart De MoorMarie-Françoise ReyniersMarek SierkaJoachim SauerGuy Marin

Comparison of a fully coupled and a decoupled solver for the simulation of Fluid Catalytic Cracking

J DE WILDEEdward BaudrezGeraldine HeynderickxGuy Marin

Computational fluid dynamics

Development of reduced combustion mechanisms for premixed flame modeling in steam cracking furnaces with emphasis on NO emission

Georgios StefanidisGeraldine HeynderickxGuy Marin

A1 Journal Article in ENERGY & FUELS

Dimensional Analysis as s tool for scaling-up steam cracking coils

Kevin Van GeemGuy MarinMarie-Françoise ReyniersR ZAJDLIK

Elementary reactions in the MTO process: are we finally on the right track?

David LesthaegheBart De SterckVeronique Van SpeybroeckGuy MarinMichel Waroquier

Filtered gas-solid momentum transfer models and their application to 3D steady state riser simulations

J De WildeGeraldine HeynderickxGuy Marin

Fire-side modelling in steam cracking furnaces using computational fluid dynamics

Georgios StefanidisGeraldine HeynderickxGuy Marin

Fischer-Tropsch synthesis: Development of a microkinetic model for metal catalysis

G LOZANO-BLANCOJoris ThybautK SURLAP GALTIERGuy Marin

A1 Journal Article in OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE

Formation of structural defects in Poly(Vinyl Chloride): a microscopic investigation

K Van CauterB Van Den BosscheVeronique Van SpeybroeckGuy MarinMichel Waroquier

Hydrocarbon bond dissociation enthalpies: From substituted aromatics to polyaromatics

Veronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in CHEMPHYSCHEM

Influence of the d.c. magnetron sputter deposition process on the photocatalytic activity of amorphous TiO2 thin films

Karin EufingerHilde PoelmanDirk PoelmanRoger De GryseGuy Marin

Kinetic modeling of the isomerization and Alkylation reaction paths involved in the synthesis of linear Alkylbenzenes over Y Zeolites

Iftemie Ionel CraciunMarie-Françoise ReyniersGuy Marin

Kinetic modeling of the reoxidation of vanadia-based catalysts

Isabelle SackV BALEAENM OLEAHilde PoelmanGuy Marin

A1 Journal Article in CATALYSIS TODAY

Kinetics and reactor modelling of MgO-catalysed transesterification for sustainable development

Tim DossinGuy MarinMarie-Françoise Reyniers

Kinetics of heterogeneously MgO-catalyzed transesterification

Tanguy DossinMarie-Françoise ReyniersGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Kinetics of naphthalene hydrogenation over a sulfided NiMo/alumina catalyst

Carlos Martin Cortés RomeroGuy Marin

Magnetron sputter deposition for catalyst synthesis

Hilde PoelmanKarin EufingerDiederik DeplaDirk PoelmanRoger De GryseB SELSGuy Marin

Modeling elementary reactions in coke formation from principles

Veronique Van SpeybroeckKaren HemelsoetD MoranL RadomGuy Marin

Modeling of automotive exhaust gas converters

J HOEBINKJ HARMSENC SCHOLZGuy MarinJ SCHOUTENA CYBULSKIJ MOULIJN

Bookchapter in Structured Catalysts and Reactors

Modeling the formation of structural defects during the suspension polymerization of vinyl chloride

Joris WiemeMarie-Françoise ReyniersGuy Marin

Multi-zone TAP-reactors theory and application, IV: ideal and non-ideal boundary conditions

Denis ConstalesSO ShekhtmanGS YablonskyGuy MarinJT Gleaves

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

n- and isoalkane adsorption mechanisms on zeolite MCM-22

JFM DENAYERRA OCAKOGLUJoris ThybautGuy MarinP JACOBSJ MARTENSGV BARON

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

Optimization of the decoking procedure of an ethane cracker with a steam/air mixture

Geraldine HeynderickxEM SCHOOLSGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Photocatalytic activity of d.c. magnetron sputter deposited XRD amorphous TiO2 thin films

Karin EufingerRoger De GryseDirk PoelmanHilde PoelmanGuy Marin

Physisorption of C2-C8 alkenes in H-FAU and H-ZSM-5

Bart De MoorE KintMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

Preconditioning applied to Eulerian-Eulerian Gas-Solid Flow Calculations with Variable Gas Density

J DE WILDEEdward BaudrezGeraldine HeynderickxGuy Marin

Preconditioning for Eulerian-Eulerian Gas-Solid Flow Calculations

J DE WILDEEdward BaudrezGeraldine HeynderickxGuy Marin

Editorial material

Role of the zeolite framework on elementary reactions in the hydrocarbon pool model for the MTO process

Bart De SterckDavid LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

Simulation of heterogeneously MgO-catalyzed transesterification for fine-chemical and biodiesel industrial production

Tanguy DossinMarie-Françoise ReyniersRJ BERGERGuy Marin

A1 Journal Article in APPLIED CATALYSIS B-ENVIRONMENTAL

Simulation of the decoking of an ethane cracker with a steam/air mixture

Geraldine HeynderickxEM SCHOOLSGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Single event microkinetic model for steam cracking of hydrocarbons

Kevin Van GeemGuy Marin

Single Event MicroKinetics (SEMK) as a tool for catalyst and process design

Joris ThybautCS Laxmi NarasimhanGuy Marin

Single-event microkinetics for coking in catalytic cracking: development and application

Roberto Quintana SolórzanoGuy Marin

Single-Event Microkinetics of Aromatics Hydrogenation on a Pt Catalyst

Joris ThybautGuy Marin

Single-event microkinetics of aromatics hydrogenation on a Pt catalyst

Joris ThybautMark SaeysGuy Marin

Synthesis of MTT zeolite catalysts with surface Al depletion

Bart De WaeleWard HuybrechtsGina VanbutseleKristof J HouthoofdFabrice BertinchampsJoeri FM DenayerJoris ThybautEric M GaigneauxGuy MarinGino V Baron et al.

The effect of argon pressure on the structural and photocatalytic characteristics of TiO2 thin films deposited by d.c. magnetron sputtering

Karin EufingerEls JanssenHilde PoelmanDirk PoelmanRoger De GryseGuy Marin

A1 Journal Article in THIN SOLID FILMS

The influence of additives on the coke formation during steam cracking

Jidong WangGuy MarinMarie-Françoise Reyniers

The influence of phosphorus containing compounds on steam cracking of n-hexane

JD WANGMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Theoretical study on elementary reaction steps in the methanol-to-olefin process

David LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

Theoretical study on elementary reactions in the methanol-to-olefin process

David LesthaegheBart De SterckVeronique Van SpeybroeckGuy MarinMichel Waroquier

Theoretical study on the alteration of fundamental zeolite properties by methylene functionalization

David LesthaegheGaëlla DelcourVeronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in MICROPOROUS AND MESOPOROUS MATERIALS

Theoretical study on the effect of methylene functionalization in zeolites

Gaella DelcourDavid LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

Thermochemistry and kinetics of hydrogen abstraction by methyl radical from polycyclic aromatic hydrocarbons

Karen HemelsoetVeronique Van SpeybroeckD MORANGuy MarinL RADOMMichel Waroquier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Understanding the failure of direct C-C coupling in the zeolite-catalyzed methanol-to-olefin process

David LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

What role do oxonium ions and oxonium ylides play in the ZSM-5 catalysed methanol-to-olefin process?

David LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in CHEMICAL PHYSICS LETTERS

2005

A fully oxidized V2O5/TiO2(001)-anatase system studied with in situ synchrotron photoelectron spectroscopy

Geert SilversmitHilde PoelmanDiederik DeplaNick BarrettGuy MarinRoger De Gryse

A1 Journal Article in SURFACE SCIENCE

A quantitative description of pore mouth and key lock shape selectivity in zeolite catalysis

Ab initio reaction path analysis of benzene hydrogenation to cyclohexane on Pt(111)

M SAEYSMarie-Françoise ReyniersM NEUROCKGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

Ab initio reaction path analysis of catalytic reactions: benzene hydrogenation and cyclohexane dehydrogenation

M SaeysMarie-Françoise ReyniersM NeurockGuy Marin

Acid-metal balance of a hydrocracking catalyst: Ideal versus nonideal behavior

Joris ThybautCSL NARASIMHANJF DENAYERGV BARONPA JACOBSJA MARTENSGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Characteristic speeds from non-filtered and filtered continuum gas-solid flow models

J De WildeGeraldine HeynderickxGuy Marin

Coke combustion and gasification kinetics in ethane steam crackers

Geraldine HeynderickxEM SCHOOLSGuy Marin

A1 Journal Article in AICHE JOURNAL

Density functional theory investigation of the stereochemistry effects on H-1 and C-13 NMR chemical shifts of poly(vinyl chloride) oligomers

P D'ANTUONOE BOTEKB CHAMPAGNEJoris WiemeMarie-Françoise ReyniersGuy MarinPJ ADRIAENSENSJM GELAN

A1 Journal Article in CHEMICAL PHYSICS LETTERS

DFT investigation of alkoxide vs alkylammonium formation in amine-substituted zeolites

David LesthaegheVeronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

Estimation of intrinsic rate coefficients in vinyl chloride suspension polymerization

Tony De RooJoris WiemeGeraldine HeynderickxGuy Marin

A1 Journal Article in POLYMER

Evidence for the participation of lattice nitrogen from vanadium aluminum oxynitrides in propane ammoxidation

M OLEAM FLOREAIsabelle SackRP SILVYEM GAIGNEAUXGuy MarinP GRANGE

A1 Journal Article in JOURNAL OF CATALYSIS

Experimental and computational study of T- and L-outlet effects in a dilute circulating fluidized bed pilot riser

Gorik Van engelandtJuray De WildeGeraldine HeynderickxGuy Marin

Experimental study of gas-solid flow in risers

Gorik Van engelandtGuy MarinGeraldine Heynderickx

Extensive DFT study on the failure of direct mechanisms in the zeolite-catalyzed MTO process

D LesthaegheVeronique Van SpeybroeckGuy MarinM Waroquier

First principles based kinetic modeling of industrial catalytic reactions: hydrogenation of mono aromatic compounds

M SaeysJoris ThybautMarie-Françoise ReyniersM NeurockGuy Marin

First-principles based kinetic model for the hydrogenation of toluene

Mark SaeysMarie-Françoise ReyniersJoris ThybautMatthew NeurockGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

Fischer-Tropsch synthesis: development of a microkinetic model for metal catalysis

G LozanoJoris ThybautGuy MarinK SurlaP Galtier

Full versus partial coupling of flow and reaction in the simulation of catalytic cracking riser flow

Edward BaudrezJuray De WildeJan VierendeelsGeraldine HeynderickxGuy Marin

Gas-solids mixing in the inlet zone of a dilute circulating fluidized bed

Juray De WildeGorik Van engelandtGeraldine HeynderickxGuy Marin

A1 Journal Article in POWDER TECHNOLOGY

Group additive values for the gas phase standard enthalpy of formation of hydrocarbons and hydrocarbon radicals

Maarten SabbeMark SaeysMarie-Françoise ReyniersGuy MarinVeronique Van SpeybroeckMichel Waroquier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Heterogeneously MgO-catalysed transesterification for fine chemical and biodiesel industrial production

T DossinR BerderMarie-Françoise ReyniersGuy Marin

Heterogeneously MgO-catalyzed transesterification for fine-chemical and biodiesel industrial production

T DossinMarie-Françoise ReyniersGuy Marin

Kinetic modeling of the vinyl chloride suspension polymerization

J WiemeMarie-Françoise ReyniersGuy Marin

Kinetic modeling of vinyl chloride suspension polymerization taking into account polymer microstructure

Marie-Françoise ReyniersJ WiemeGuy Marin

Microkinetic model for the alkylation of benzene with octenes over Y zeolites

Iftemie Ionel CraciunMarie-Françoise ReyniersGuy Marin

Microkinetic model for the alkylation of benzene with octenes over Y zeolites

Iftemie Ionel CraciunMarie-Françoise ReyniersGuy Marin

Multiscale Analysis

Bookchapter in Preface in Multiscale Analysis

Multiscale analysis

Preconditioning for non-filtered and filtered Eulerian-Eulerian gas-solid flow models

Juray De WildeEdward BaudrezDenis ConstalesGeraldine HeynderickxGuy Marin

Preconditioning for the simultaneous solution of gas-solid flows

Juray De WildeEdward BaudrezGeraldine HeynderickxGuy Marin

Production of low-aromate fuels: kinetics and industrial application of hydroconversion processes

Joris ThybautCSL NarasimhanCMC RomeroGuy Marin

Simultaneous solution algorithms for Eulerian-Eulerian gas-solid flow models: Stability analysis and convergence behaviour of a point and a plane solver

Juray De WildeJan VierendeelsGeraldine HeynderickxGuy Marin

A1 Journal Article in JOURNAL OF COMPUTATIONAL PHYSICS

Single-Event MicroKinetics for coke formation in catalytic cracking

R Quintana-SolórzanoJoris ThybautGuy MarinRune LødengAnders Holmen

A1 Journal Article in CATALYSIS TODAY

Single-event microKinetics for fischer-tropsch synthesis on iron-based catalysts

G LozanoJoris ThybautGuy MarinK SurlaP Galtier

Single-Event MicroKinetics for Fischer-Tropsch synthesis on iron-based catalysts

Gisela Lozano BlancoJoris ThybautGuy MarinK SURLAP GALTIER

Skeletal isomerization of octadecane on bifunctional ZSM-23 zeolite catalyst

W HUYBRECHTSG VANBUTSELEKJ HOUTHOOFDF BERTINCHAMPSCLS NARASIMHANEM GAIGNEAUXJoris ThybautGuy MarinJFM DENAYERGV BARON et al.

A1 Journal Article in CATALYSIS LETTERS

TAP study of propane oxidative dehydrogenation on vanadia-based catalysts

I SackVeerle BalcaenM OleaGuy Marin

The effect of argon pressure on the structural and photocatalytic characteristics of TiO2 thin films deposited by d.c. magnetron sputtering

K EufingerEN JanssenHilde PoelmanDirk PoelmanRoger De GryseGuy Marin

The structure of a VOx/TiO2(anatase) powder catalyst under reduction and oxidation at 623 K

Geert SilversmitJeroen VAN BOKHOVENHilde PoelmanAd VAN DER EERDENGuy MarinRoger De Gryse

A1 Journal Article in Physica scripta. T

The structure of supported and unsupported vanadium oxide under calcination, reduction and oxidation determined with XAS

Geert SilversmitJA VAN BOKHOVENHilde PoelmanAMJ VAN DER EERDENGuy MarinMarie-Françoise ReyniersRoger De Gryse

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Two severity indices for scale-up of steam cracking coils

Kevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

UPS study of the thermal reduction of fully oxidized V2O5/TiO2(001)-anatase model catalysts

Geert SilversmitHilde PoelmanDiederik DeplaDirk PoelmanN BarrettGuy MarinRoger De Gryse

A1 Journal Article in JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

2004

A fundamental kinetic model for Fischer Tropsch synthesis

Gisela Lozano BlancoJoris ThybautGuy MarinK SURLAP GALTIER

A Gradient instead of a Source Term Approach for Gas-Solid Interactions in Eulerian Eulerian Gas-Solid Flow Models

Juray De WildeGeraldine HeynderickxGuy Marin

Ab initio group contribution method for activation energies for radical additions

Mark SaeysMarie-Françoise ReyniersGuy MarinVeronique Van SpeybroeckMichel Waroquier

A1 Journal Article in AICHE JOURNAL

Alkylcarbenium ion concentrations in zeolite pores during octane hydrocracking on Pt/H-USY zeolite

Joris ThybautCSL NARASIMHANGuy MarinJFM DENAYERGV BARONPA JACOBSJA MARTENS

A1 Journal Article in CATALYSIS LETTERS

Base-Catalysed Transesterification of Ethyl Acetate with Methanol - a Kinetic Study

Tanguy DossinMarie-Françoise ReyniersGuy Marin

Calculations of hydrocarbon bond dissociation energies in a computationally efficient way

Veronique Van SpeybroeckGuy MarinMichel Waroquier

CFD Modeling of Thermal Cracking Furnaces using Detailed Combustion Mechanisms

Georgios StefanidisBart MerciGeraldine HeynderickxGuy Marin

CFD simulation of dilute phase gas-solid riser reactors: Part I - a new solution method and flow model validation

Asit DasJuray De WildeGeraldine HeynderickxGuy MarinJan VierendeelsErik Dick

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

CFD simulation of dilute phase gas-solid riser reactors: part II - simultaneous adsorption of SO2-NOx from flue gases

AK DASJuray De WildeGeraldine HeynderickxGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

DC magnetron sputtered TiO2 thin films for photocatalytic applications

Karin EufingerHilde PoelmanDirk PoelmanRoger De GryseGuy Marin

DC magnetron sputtered vanadia catalysts for oxidation processes

M OLEAIsabelle SackVeerle BalcaenGuy MarinHilde PoelmanKarin EufingerRoger De GryseJS PAULBF SELSPA JACOBS

Decane hydroconversion on bifunctional Zeogrid and nano-zeolite assembled from aluminosilicate nanoslabs of MFI framework type

A AERTSA VAN ISACKERW HUYBRECHTSSPB KREMERCEA KIRSCHHOCKF COLLIGNONK HOUTHOOFDJFM DENAYERGV BARONGuy Marin et al.

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Decane hydroconversion on bifunctional zeogrid and nano-zeolite assembled from aluminosilicate nanoslabs of MFI framework type (vol 257, pg 7, 2004)

A AERTSA VAN ISACKERW HUYBRECHTSSPB KREMERCEA KIRSCHHOCKF COLLIGNONK HOUTHOOFDJFM DENAYERGV BARONGuy Marin et al.

Determination of the V2p XPS binding energies for different vanadium oxidation states (V5+ to V0+)

Geert SilversmitDiederik DeplaHilde PoelmanGuy MarinRoger De Gryse

A1 Journal Article in JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Diffusion-controlled reactions in vinyl chloride suspension polymerization

Tony De RooGeraldine HeynderickxGuy Marin

A1 Journal Article in MACROMOLECULAR SYMPOSIA

Effect of clustering on gas-solid drag in dilute two-phase flow

Geraldine HeynderickxAK DASJuray De WildeGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Effect of radial temperature profiles on yields in steam cracking

Kevin Van GeemGeraldine HeynderickxGuy Marin

A1 Journal Article in AICHE JOURNAL

Estimation of intrinsic rate coefficients in vinyl chloride suspension polymerization

Tony De RooGeraldine HeynderickxGuy Marin

Experimental and numerical study of gas-solid flow in a pilot-scale cold-flow riser using Fluent 6.1.22

Gorik Van engelandtGeraldine HeynderickxGuy Marin

Experimental study of gas-solid flow in risers

Gorik Van engelandtGeraldine HeynderickxGuy Marin

First principles based kinetic model for the hydorgenation of aromatic compounds

Mark SaeysMarie-Françoise ReyniersJoris ThybautM NEUROCKGuy Marin

First Principles based Reaction Network for Steam Cracking

Kevin Van GeemMarie-Françoise ReyniersGuy Marin

Kinetic models for catalytic reactions from first principles: benzene hydrogenation

Mark SaeysJoris ThybautM NEUROCKGuy Marin

A1 Journal Article in MOLECULAR PHYSICS

Modeling elementary reactions in coke formation from first principles

Veronique Van SpeybroeckMarie-Françoise ReyniersGuy MarinMichel Waroquier

Modeling elementary reactions in coke formation from first principles

Veronique Van SpeybroeckMarie-Françoise ReyniersGuy MarinMichel Waroquier

Multi-zone TAP-reactors theory and application, III: multi-response theory and criteria of instantaneousness

Denis ConstalesGS YablonskyGuy MarinJT Gleaves

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Reaction path analysis as a tool for scaling up steam cracking coils

Kevin Van GeemMarie-Françoise ReyniersGuy Marin

Reactivity and aromaticity of polyaromatics in radical cyclization reactions

Veronique Van SpeybroeckKaren HemelsoetMichel WaroquierGuy Marin

A1 Journal Article in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Reactivity indices for radical reactions involving polyaromatics

Karen HemelsoetVeronique Van SpeybroeckGuy MarinF DE PROFTP GEERLINGSMichel Waroquier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Relumped single event microkinetic model for alkane hydrocracking on shape selective catalysts: Catalysis on ZSM-22 pore mouths, bridge acid sites and micropores

Chilkoor Laxmi NarasimhanJoris ThybautGuy MarinJ DENAYERG BARONJ MARTENSP JACOBS

Relumped single-event microkinetic model for alkane hydrocracking on shape-selective catalysts: catalysis on ZSM-22 pore mouths, bridge acid sites and micropores

CSL NARASIMHANJoris ThybautGuy MarinJF DENAYERGV BARONJA MARTENSPA JACOBS

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Simultaneous solution algoritms for gas-solid flows: an efficient parallel line solver

Juray De WildeEdward BaudrezGeraldine HeynderickxJan VierendeelsDenis ConstalesGuy Marin

Single-Event Microkinetic description of coke formation in the catalytic cracking of model hydrocarbons

Roberto Quintana SolorzanoJoris ThybautGuy MarinR LODENGA HOLMEN

Single-Event MicroKinetics for coke formation and deactivation in catalytic cracking

Roberto Quintana SolorzanoJoris ThybautGuy Marin

Single-Event MicroKinetics for Fischer Tropsch synthesis

Gisela Lozano BlancoJoris ThybautGuy MarinK SURLAP GALTIER

Single-event microkinetics of alkane hydroconversion on Pt-H-ZSM-22

Chilkoor Laxmi NarasimhanJoris ThybautGuy MarinJ DENAYERG BARONJ MARTENSP JACOBS

Skeletal isomerizaton of octadecane on 10-membered ring zeolites

W HUYBRECHTSChilkoor Laxmi NarasimhanJoris ThybautGuy MarinJ DENAYERG BARONP JACOBSJ MARTENS

Solid acid catalysts for alkylation of aromatics

Iftemie Ionel CraciunGuy MarinMarie-Françoise Reyniers

TAP studies on the reoxidation of some partially reduced vanadia-based catalysts

Isabelle SackM OleaHilde PoelmanKarin EufingerRoger De GryseGuy Marin

A1 Journal Article in CATALYSIS TODAY

The acid catalyzed alkylation of benzene with 1-octene on Y zeolites - a kinetic study

Iftemie Ionel CraciunMarie-Françoise ReyniersGuy Marin

The alkylation of benzene with 1-octene on Y-zeolites - a kinetic study

Iftemie Ionel CraciunMarie-Françoise ReyniersGuy Marin

The impact of the inlet configuration, the riser diameter and turbulence on Gas-Solid mixing in the Inlet zone of a riser

Juray De WildeGorik Van engelandtGeraldine HeynderickxGuy Marin

The preparation of fully oxidized V2O5/TiO2(001)(anatase) model catalysts studied with photoelectron spectroscopy

Geert SilversmitHilde PoelmanDiederik DeplaDirk PoelmanN BARETTGuy MarinRoger De Gryse

Towards a microkinetic model for naphthalene hydrogenation on a sulfided NiMo catalyst

C CORTÉS ROMEROD VAN NEVELJoris ThybautGuy Marin

Transalkylation of methylamines: Kinetics and industrial simulation.

Nele StaelensMarie-Françoise ReyniersGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

UPS study of the thermal reduction of fully oxidized V2O5/TiO2 (001-anatase) model catalysts

Geert SilversmitHilde PoelmanDiederik DeplaNick BARETTGuy MarinRoger De Gryse

Validation Study of gas-solid flow in a pilot-scale circulating fluidized bed riser

Gorik Van engelandtJuray De WildeGeraldine HeynderickxGuy Marin

Vinyl chloride suspension polymerization : intrinsic kinetics and diffusion effects

Tony De RooGeraldine HeynderickxGuy Marin

2003

10. New Models and Pathways for Methane and Ethane Pyrolysis from Automated, Pressure-Dependent Mechanism Generation

D MATHEUMark SaeysGuy MarinJ GRENDAW GREEN

11. Stability Analysis of Simultaneous Solution Algorithms for Gas-Solid Flow Calculations: Point and Line Method

Juray De WildeGeraldine HeynderickxGuy Marin

Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes using internal rotations

Peter VansteenkisteVeronique Van SpeybroeckGuy MarinMichel Waroquier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Ab initio calculations for hydrocarbons : enthalpy of formation, transition state geometry, and activation energy for radical reactions

Mark SaeysMarie-Françoise ReyniersGuy MarinVeronique Van SpeybroeckMichel Waroquier

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Ab initio study on elementary radical reactions in coke formation

Veronique Van SpeybroeckDimitri Van NeckMichel WaroquierSANDRA WAUTERSMark SaeysGuy Marin

A1 Journal Article in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Adsorption competition effects in hydroconversion of alkane mixtures on zeolites

Joeri F DenayerAhmet Refik OcakogluBruno A De JonckheereJohan A MartensJoris ThybautGuy MarinGino V Baron

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING

Density functional theory analysis of benzene (De)hydrogenation on Pt(111): Addition and removal of the first two H-atoms

Mark SaeysMarie-Françoise ReyniersM NEUROCKGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

Experimental and numerical study of gas-solid flow in circulating fluidized beds

Gorik Van engelandtJuray De WildeJan VierendeelsGuy MarinGeraldine Heynderickx

Experimental study of steam cracking in a pilot plant

R ZAJDLIKMarie-Françoise ReyniersGuy Marin

Gas-Solids Mixing in the Inlet Zone of a Circulating Fluidized Bed

Juray De WildeGorik Van engelandtGeraldine HeynderickxGuy Marin

Influence of the zeolite composition on the hydro-isomerisation and hydrocracking of alkanes on Pt/USY zeolites: modelling of the reaction kinetics using an adsorption-reaction approach

JFM DENAYERJA MARTENSPA JACOBSJoris ThybautGuy MarinGV BARON

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Kinetic modeling of pore mouth catalysis in the hydroconversion of n-octane on Pt-H-ZSM-22

CSL NARASIMHANJoris ThybautGuy MarinPA JACOBSJA MARTENSJF DENAYERGV BARON

A1 Journal Article in JOURNAL OF CATALYSIS

Kinetic modeling of the conversion of complex hydrocarbon feedstocks by acid catalysts

Joris ThybautGuy Marin

Kinetic Models for Catalytic Reactions from First Principles: Benzene Hydrogenation

Mark SaeysJoris ThybautM NEUROCKGuy Marin

Mathematics in chemical kinetics and engineering: an introduction to the special issue dedicated to papers presented at the MaCKiE-2002 conference

Denis ConstalesGuy MarinRoger Van KeerGrégoire NicolisGregory S Yablonsky

Editorial material

Methods for scale-up of steam cracking coils

R ZAJDLIKMarie-Françoise ReyniersKevin Van GeemGuy Marin

n-Alkane hydroconversion on Zeogrid and colloidal ZSM-5 assembled from aluminosilicate nanoslabs of MFI framework type

A AERTSW HUYBRECHTSSPB KREMERCEA KIRSCHHOCKE THEUNISSENA VAN ISACKERJFM DENAYERGV BARONJoris ThybautGuy Marin et al.

A1 Journal Article in CHEMICAL COMMUNICATIONS

Physical and chemical characterization of VOx/TiOx model catalysts prepared by sputter deposition on inert carriers

Hilde PoelmanKarin EufingerRoger De GryseIsabelle SackMaria LucaciuGuy Marin

Pore mouth physisorption of alkanes on ZSM-22: estimation of physisorption enthalpies and entropies by additivity method

CSL NARASIMHANJoris ThybautGuy MarinJA MARTENSJF DENAYERGV BARON

A1 Journal Article in JOURNAL OF CATALYSIS

Pore mouth versus intracrystalline adsorption of isoalkanes on ZSM-22 and ZSM-23 zeolites under vapour and liquid phase conditions

JF DENAYERAR OCAKOGLUW HUYBRECHTSJA MARTENSJoris ThybautGuy MarinGV BARON

A1 Journal Article in CHEMICAL COMMUNICATIONS

Probing the cut-off for intracrystalline adsorption on zeolites: pore mouth adsorption

R OCAKOGLUJ DENAYERJ MARTENSGuy MarinG BARON

Reactive Intermediates in Hydrocracking

Joris ThybautC NARASIMHANGuy MarinJ DENAYERG BARONP JACOBSJ MARTENS

Steam cracking of hydrocarbons in a pilot plant

R ZAJDLÍKMarie-Françoise ReyniersGuy Marin

Steam cracking: from molecule to furnace

Kevin Van GeemMark SaeysMarie-Françoise ReyniersGeraldine HeynderickxGuy Marin

Steam cracking: from molecule to furnace

Kevin Van GeemMark SaeysMarie-Françoise ReyniersGeraldine HeynderickxGuy Marin

TAP Studies of the Mechanism of Propane Ammoxidation over Vanadium Aluminium Oxynitride Catalysts

M FLOREAIsabelle SackMaria LucaciuR PRADA SILVYGuy MarinP GRANGE

TAP studies on partial oxidation of propane over a vanadia-based catalyst

Isabelle SackMaria LucaciuGuy Marin

TAP studies on the reoxidation of some partially reduced vanadia-based catalysts

Isabelle SackMaria LucaciuHilde PoelmanKarin EufingerRoger De GryseGuy Marin

Temporal analysis of products: basic principles, applications, and theory

GS YABLONSKYM OLEAGuy Marin

A1 Journal Article in JOURNAL OF CATALYSIS

The effects of abrupt T-outlets in a riser: 3D simulation using the kinetic theory of granular flow

Juray De WildeGuy MarinGeraldine Heynderickx

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

THE STRUCTURE OF A VOx/TIO2(ANATASE) POWDER CATALYST UNDER REDUCTION AND OXIDATION AT 623 K

Geert SilversmitJeroen Van BokhovenHilde PoelmanAd Van der EerdenMarie-Françoise ReyniersGuy MarinRoger De Gryse

The structure of a VOx/TiO2(anatase) powder catalyst under redution and oxidation at 623K

Geert SilversmitJeroen Van BokhovenHilde PoelmanAd Van der EerdenGuy MarinRoger De Gryse

Three-dimensional simulation of a fluid catalytic cracking riser reactor

AK DASEdward BaudrezGuy MarinGeraldine Heynderickx

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Tracer chromatographic study of pore and pore mouth adsorption of linear and monobranched alkanes on ZSM-22 zeolite

RA OCAKOGLUJFM DENAYERGuy MarinJA MARTENSGV BARON

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

2002

An ab initio study of the interaction of SCN- with a silver electrode: The prediction of vibrational frequencies.

F TIELENSMark SaeysE TOURWEGuy MarinA HUBINP GEERLINGS

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

An extension of the preconditioned advection upstream splitting method for 3D two-phase flow calculations in circulating fluidized beds.

Juray De WildeGeraldine HeynderickxJan VierendeelsErik DickGuy Marin

A1 Journal Article in COMPUTERS & CHEMICAL ENGINEERING

Catalytic partial oxidation. Part I. Catalytic processes to convert methane: partial or total oxidation.

MF REYNIERSCRH DE SMETPG MENONGuy Marin

A2 Journal Article in CATTECH

Chemische reactiekinetiek in de industrie (1)

R BergerEH StittGuy MarinF KateijnJacob Moulijn

Chemische reactiekinetiek in de industrie (2)

R BergerEH StittGuy MarinF KapteijnJacob Moulijn

Density functional study of benzene adsorption on Pt(111).

Mark SaeysMarie-Françoise ReyniersGuy MarinM NEUROCK

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

Density functional study of the adsorption of 1,4-cyclohexadiene on Pt(111): origin of the C-H stretch red shift.

Mark SaeysMarie-Françoise ReyniersGuy MarinM NEUROCK

A1 Journal Article in SURFACE SCIENCE

Effect of surface nonuniformity on the kinetics of simultaneous adsorption of SO2-NOx over Na-gamma-Al2O3 sorbent: a coverage-dependent stoichiometry.

Asit DasGuy MarinDenis ConstalesGS YABLONSKY

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Hydrogenation kinetics of toluene on Pt/ZSM-22.

Joris ThybautMark SaeysGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Influence of nitrogen on diamond growth in oxyacetylene combustion chemical vapor deposition.

M OKKERSEMHJM DE CROONCR KLEIJNGuy MarinHEA VAN DEN AKKER

A1 Journal Article in JOURNAL OF APPLIED PHYSICS

Kinetic modeling of coke formation during steam cracking

SANDRA WAUTERSGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Langmuir-Hinshelwood-Hougen-Watson rate equations for the transalkylation of methylamines.

Nele StaelensMarie-Françoise ReyniersGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Reactivity and kinetics of polyaromatic hydrocarbons in elementary radical reactions.

V VAN SPEYBROECKK HEMELSOETMichel WaroquierGuy Marin

A2 Journal Article in Journal of Computational Methods in Sciences and Engeneering

Reply to comments on "kinetic modeling of coke formation during steam cracking".

Marie-Françoise ReyniersSandra WautersGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Special issue - Catalytic Reaction and Reactor Engineering EuropaCat V Limerick, Sept. 2-7, 2001 - Preface.

Guy MarinY SCHUURMAN

Editorial material

The kinetics of cyclization reactions on polyaromatics from first principles.

Veronique Van SpeybroeckMarie-Françoise ReyniersGuy MarinMichel Waroquier

A1 Journal Article in CHEMPHYSCHEM

TiO2 films prepared by DC magnetron sputtering from ceramic targets

H TomaszewskiHilde PoelmanDiederik DeplaDirk PoelmanRoger De GryseLucien FiermansMarie-Françoise ReyniersGeraldine HeynderickxGuy Marin

A1 Journal Article in VACUUM

Transient 3D Simulation of the turbulent gas solid flow in large scale risers using a density based solution algorithm

A DASGorik Van engelandtGeraldine HeynderickxGuy Marin

V2O5 thin films deposited by means of d.c. magnetron sputtering from ceramic V2O3 targets

Hilde PoelmanH TomaszewskiDirk PoelmanLucien FiermansRoger De GryseMarie-Françoise ReyniersGuy Marin

A1 Journal Article in SURFACE AND INTERFACE ANALYSIS

2001

A fundamental kinetic model for the catalytic cracking of alkanes on a USY zeolite in the presence of coke formation.

Hans BeirnaertJohn AllemanGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ab initio study of radical reactions: cyclization pathways for the butylbenzene radical (II).

Veronique Van SpeybroeckYvan BorremansDimitri Van NeckMichel WaroquierSandra WautersMark SaeysGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Alkane protonation enthalpy determination from fundamental kinetic modeling of alkane hydroconversion on Pt/H-(US)Y-zeolite.

Joris ThybautGuy MarinGV BARONPA JACOBSJA MARTENS

A1 Journal Article in JOURNAL OF CATALYSIS

An extension of the preconditioned advection upstream splitting method to two-phase flows for the 3D calculation of circulating fluidized bed flow patterns.

Juray De WildeJan VierendeelsGeraldine HeynderickxGuy MarinBart MerciA DASErik Dick

Calculation of transient flow in circulating fluidized beds with straight and double abrupt outlet configuration: relation with the inelasticity of the particle-particle collisions.

Juray De WildeJan VierendeelsGeraldine HeynderickxErik DickGuy Marin

Chemical reaction kinetics in practice.

R BERGEREH STITTGuy MarinF KAPTEIJNJacob Moulijn

A2 Journal Article in CATTECH

Computer generation of a network of elementary steps for coke formation during the thermal cracking of hydrocarbons.

Sandra WautersGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Design of adiabatic fixed-bed reactors for the partial oxidation of methane to synthesis gas. Application to production of methanol and hydrogen-for-fuel-cells.

CRH DE SMETMHJM DE CROONRJ BERGERGuy MarinJC SCHOUTEN

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Development of a transient kinetic model for the simultaneous adsorption of SO2-NOx over Na/gamma-Al2O3 sorbent.

Juray De WildeAsit DasGeraldine HeynderickxGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Eurokin - Chemical reaction kinetics in practice.

RJ BERGEREH STITTGuy MarinF KAPTEIJNJacob Moulijn

A1 Journal Article in CATTECH

Evidences for pore mouth and key-lock catalysis in hydroisomerization of long n-alkanes over 10-ring tubular pore bifunctional zeolites.

JA MARTENSG VANBUTSELEPA JACOBSJ DENAYERR OCAKOGLUG BARONJAM ARROYOJoris ThybautGuy Marin

A1 Journal Article in CATALYSIS TODAY

Kinetics for hydrocracking based on structural classes: Model development and application.

Gert MartensGuy Marin

A1 Journal Article in AICHE JOURNAL

Multi-zone TAP-reactors theory and application, I: the global transfer matrix equation

Denis ConstalesGS YablonskyGuy MarinJT Gleaves

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Multi-zone TAP-reactors theory and application, II: the three-dimensional theory

Denis ConstalesGS YablonskyGuy MarinJT Gleaves

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Reaction pathways of 1-cyclohexyloctane in admixture with dodecane on Pt/H-ZSM-22 zeolite in three-phase hydroconversion.

J ARROYOJoris ThybautGuy MarinPA JACOBSJA MARTENSGV BARON

A1 Journal Article in JOURNAL OF CATALYSIS

Simultaneous adsorption of SO2-NOx from flue gases in a riser configuration.

Asit DasJuray De WildeGeraldine HeynderickxGuy MarinSB IVERSENK FELSVANG

A1 Journal Article in AICHE JOURNAL

Single-event rate parameters for the hydrocracking of cycloalkanes on Pt/US-Y zeolites.

Gert MartensJoris ThybautGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The influence of dimethyl disulfide on naphtha steam cracking

Inge DhuyvetterMarie-Françoise ReyniersGilbert FromentGuy MarinD Viennet

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Three-dimensional asymmetric flow and temperature fields in cracking furnaces.

Arno OprinsGeraldine HeynderickxGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Three-dimensional flow patterns in cracking furnaces with long-flame burners.

Geraldine HeynderickxArno OprinsGuy MarinErik Dick

A1 Journal Article in AICHE JOURNAL

2000

A fundamental kinetic model for hydrocracking of C-8 to C-12 alkanes on Pt/US-Y zeolites.

Gert MartensGuy MarinJA MARTENSPA JACOBSGV BARONI

A1 Journal Article in JOURNAL OF CATALYSIS

Ab initio study of radical addition reactions : addition of a primary ethylbenzene radical to ethene (I)

Veronique Van SpeybroeckDimitri Van NeckMichel WaroquierSandra WautersMark SaeysGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Competing reactions in three-way catalytic converters: modelling of the NOx conversion maximum in the light-off curves under net oxidising conditions.

J HOEBINKRA VAN GEMERTJAA VAN DEN TILLAARTGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Engineering aspects of the aqueous noble metal catalysed alcohol oxidation.

J KLUYTMANSAP MARKUSSEB KUSTERGuy MarinJC SCHOUTEN

A1 Journal Article in CATALYSIS TODAY

Hydrocracking and isomerization of n-paraffin mixtures and a hydrotreated gasoil on Pt/ZSM-22: confirmation of pore mouth and key-lock catalysis in liquid phase.

J ARROYOGert MartensGilbert FromentGuy MarinPA JACOBSJA MARTENS

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Influence of coke formation on the conversion of hydrocarbons I. Alkanes on a USY-zeolite.

Marie-Françoise ReyniersHans BeirnaertGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Influence of coke formation on the conversion of hydrocarbons II. i-butene on HY-zeolites.

Marie-Françoise ReyniersY TANGGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Investigation of simultaneous adsorption of SO2 and NOx on Na-gamma-alumina with transient techniques.

Juray De WildeGuy Marin

A1 Journal Article in CATALYSIS TODAY

Kinetics for the partial oxidation of methane on a Pt gauze at low conversions.

CRH DE SMETMHJM DE CROONRJ BERGERGuy MarinJC SCHOUTEN

A1 Journal Article in AICHE JOURNAL

Promoter effects in the Pt-catalysed oxidation of propylene glycol.

H PINXTB KUSTERGuy Marin

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Two-dimensional simulation of an oxy-acetylene torch diamond reactor with a detailed gas-phase and surface mechanism.

M OKKERSECR KLEIJNHEA VAN DEN AKKERMHJM DE CROONGuy Marin

A1 Journal Article in JOURNAL OF APPLIED PHYSICS

1999

An experimental reactor to study the intrinsic kinetics of catalytic partial oxidation of methane in the presence of heat-transport limitations.

CRH DE SMETMHJM DE CROONRJ BERGERGuy MarinJC SCHOUTEN

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Behaviour of cyanide-derived CuuFe/Al203 catalysts during Fischer-Tropsch synthesis.

E BOELLAARDAM VAN DER KRAANA SOMMENJ HOEBINKGuy MarinJW GEUS

A2 Journal Article in APPLIED CATALYSIS A-GENERAL

Catalytic reaction engineering.

K KAPTEIJNGuy MarinJacob Moulijn

A1 Journal Article in CATALYSIS: AN INTEGRATED APPROACH, SECOND ED.

CO oxidation in a fixed bed reactor with high frequency cycling of the feed.

J HOEBINKA NIEVERGELDGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Heterogeneously catalyzed reactions in the presence of irreducible transport phenomena - Foreword.

Guy MarinJ HOEBINKL GUCZI

Editorial material

Investigation of gas-phase reactions and ignition delay occurring at conditions typical for partial oxidation of methane to synthesis gas.

RJ BERGERGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The conversion of methanol to olefins: a transient kinetic study.

Olivier DewaeleVeerle GeersGilbert FromentGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

The kinetics of the low-pressure chemical vapour deposition of molybdenum on silicon from molybdenum hexafluoride and hydrogen.

M DE CROONE ORIJGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

The state of Rh during the partial oxidation of methane into synthesis gas.

ZJ TIANOlivier DewaeleGuy Marin

A1 Journal Article in CATALYSIS LETTERS

1998

A surface and a gas-phase mechanism for the description of growth on the diamond(100) surface in an oxy-acetylene torch reactor.

M OKKERSEMHJM DE CROONCR KLEIJNHEA VAN DEN AKKERGuy Marin

A1 Journal Article in JOURNAL OF APPLIED PHYSICS

De productie van synthesegas door katalytische partiële oxidatie van aardgas

Ann De GrooteGilbert FromentGuy Marin

Development of a transient kinetic model for the CO oxidation by O2 over a Pt/Rh/CeO2/Y-Al2O3 three-way catalyst

RH NIBBELKEAJL NIEVERGELDJHBJ HOEBINKGuy Marin

Kinetic modelling of the partial oxidation of methane to syn-gas at high temperature

CRH DE SMETRJ BERGERJC SLAAGuy Marin

Bookchapter in Natural Gas Conversion

Kinetically induced multiplicity of steady states in integral catalytic reactors

RH NIBBELKEJHBJ HOEBINKGuy Marin

A2 Journal Article in CHEMICAL ENGINEERING SCIENCE

Modeling of monolithic reactors for automotive exhaust gas traetment

JHBJ HOEBINKGuy Marin

On-line characterization by EXAFS of tin promoted platinum graphite catalysts in the aqueous phase

HHCM PINXTBFM KUSTERDC KONINGSBERGERGuy Marin

Partial oxidation of methane to synthesis gas over rhodium catalysts

K HEITNES HOFSTADJHBJ HOEBINKA HOLMENGuy Marin

Platinum deactivation: in situ EXAFS during aqueous alcohol oxidation reaction

AP MARKUSSEBFM KUSTERDC KONINGSBERGERGuy Marin

Structural stability of kinetic models: anomalies due to irreversible adsorption

RH NIBBELKEJHBJ HOEBINKMHJM DE CROONGuy Marin

A2 Journal Article in American Institute of Chemical Engineers Journal, 44

The kinetics of the low-pressure chemical vapor deposition of polycrystalline silicon from silane

WLM WEERTSM DE CROONGuy Marin

A2 Journal Article in Journal of Electrochemical Society

1997

A quantitative analysis of transient kinetic experiments: the oxidation of CO by O2 over Pt

J HOEBINKJ HUININKGuy Marin

Graphite-supported platinum catalysts: effects of gas and aqueous phase treatments

J VLEEMINGB KUSTERGuy MarinF OUDETP COURTINE

A2 Journal Article in Journal of Catalysis, 166, pp. 148-159, 9 figg., 1 tab

Kinetic modeling for wet air oxidation of formic acid on a carbon supported platinum catalyst

J HARMSENL JELEMENSKYP VAN ANDEL-SCHEFFERB KUSTERGuy Marin

Kinetic modeling of automotive exhaust catalysis

Guy MarinJ HOEBINK

Kinetic research on heterogeneously catalysed processes: A questionnaire on the state-of-the-art in industry.

ANR BOSL LEFFERTSGuy MarinMHGM STEIJNS

A1 Journal Article in APPLIED CATALYSIS A-GENERAL

Kinetic Study of the CO oxidation over Pt/y-Al2O3 and Pt/Rh/CeO2/y-Al2O3 in the presence of H2O and CO2

R NIBBELKEM CAMPMANJ HOEBINKGuy Marin

A2 Journal Article in Journal of Catalysis, 171, pp. 358-373, 8 figg., 7 tabb

Kinetische studie van de katalytische reforming van nafta over een Pt-Sn/Al₂O₃ katalysator

Jan VerstraeteG. F. FromentGuy Marin

Low-pressure chemical vapour deposition of polycristalline silicon: analysis of nonuniform growth in an industrial-scale reactor

WLM WeertsMHJM deCroonGuy Marin

A1 Journal Article in JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Netwerkmodellen voor percolatie, diffusie en reactie in amorfe katalysatoren

Toon Van MelckebekeGilbert FromentGuy Marin

Oxidation of methyl and n-octyl a-D-glucopyranoside over graphite-supported platinum catalysts: effect of the alkyl substituent on activity and selectivity

J VLEEMINGB KUSTERGuy Marin

Oxidative pyrolysis of ethane

Q CHENE SCHWEITZERP VAN DEN OOSTERKAMPR BERGERC DE SMETGuy Marin

A2 Journal Article in Industrial & Engineering Chemistry Research

Partial oxidation of methane to synthesis gas over Rh/a-AhG^ at high temperatures

J SLAAR BERGERGuy Marin

Platinum catalyzed reduction of nitric oxide by n-butane in the presence of oxygen: role of the hydrocarbon

S LACOMBEJ HOEBINKGuy Marin

Relaxation processes during the selective oxidation of aqueous ethanol with oxygen on a platinum catalyst

L JelemenskyBFM KusterGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Selective oxidation of methyl α-D-glucopyranoside with oxygen over supported platinum : kinetic modeling in the presence of deactivation by overoxidation of the catalyst

L JelemenskyBFM KusterGuy Marin

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Simulation of a catalytic converter of automotive exhaust gas under dynamic conditions

A NIEVERGELDE SELOWJ HOEBINKGuy Marin

Simulation of a diamond oxy-acetylene combustion torch reactor with a reduced gas-phase and surface mechanism

M OkkerseR Klein-DouwelM de CroonC KleunJ ter MeulenGuy MarinH Van Den Akker

The reaction mechanism of the partial oxidation of methane to synthesis gas: a transient kinetic study over Rhodium and a comparison with Platinum

E MALLENSJ HOEBINKGuy Marin

A2 Journal Article in Journal of Catalysis, 167, pp. 43-56, .10 figg., 2 tabb

1996

A laboratory reactor for kinetic studies of gas-solid reactions at low pressures: design and modelling in the presence of irreducible transport phenomena

WLM WEERTSM DE CROONGuy Marin

An investigation of the oxygen pathways in the oxidative coupling of methane over MgO-based catalysts

EPJ MALLENSJ HOEBINKGuy Marin

A2 Journal Article in Journal of Catalysis, 160, pp. 222-234, 8 figg., 3 tabb

Irreducible mass-transport limitations during a hetero-geneously catalyzed gas- phase chain reaction: the oxidative coupling of methane

PM COUWENBERGQ CHENGuy Marin

A2 Journal Article in Ind. & Eng. Chem. Res., 1996 35, pp. 415-421, 6 figg. 4 tab

Kinetic modelling of multiple steady-states for the oxidation of aqueous ethanol with oxygen on a carbon supported platinum catalyst

L JelemenskyBFM KusterGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

Kinetics of a Gas-Phase Chain Reaction Catalyzed by a Solid: The Oxidative Coupling of Methane over Li-MgO-Based Catalysts

PM COUWENBERGQ CHENGuy Marin

A2 Journal Article in Ind. & Eng. Chem. Res., 35, pp. 3999-4011, 8 figg., 4 tab

Low pressure chemical vapour deposition of polycrystalline silicon: validation and assessment of reactor models

WLM WEERTSM DE CROONGuy Marin

On-line characterization of platinum/graphite catalysts during liquid phase oxidation using cyclic voltammetry

FA DE BRUIJNBFM KUSTERGuy Marin

Platinum particle size effect during the catalytic oxidative dehydrogenation of aqueous ethanol

JAA VAN DEN TILLAARTBFM KUSTERGuy Marin

Pulse experiments over catalyst beds: a window of measurable reaction rate coefficients

JP HUININKJ HOEBINKGuy Marin

A2 Journal Article in Can. J. Chem. Eng., 74, pp. 580-585, 2 figg., 1 tab

The adsorption of silane, disilane and trisilane on polycrystalline silicon: a transient kinetic study

WLM WEERTSM DE CROONGuy Marin

The montmorillonite catalysed production of phenol and acetone from cumene hydroperoxide.

WA DE GROOTE COENENBFM KUSTERGuy Marin