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Researcher
Marie-Françoise Reyniers
Profile
Projects
Publications
Activities
Awards & Distinctions
562
Results
2024
Effect of Reactor Alloy Composition on Coke Formation during Butane and Ethane Steam Cracking
Hamed Mohamadzadeh Shirazi
Lucas Dos Santos Vargette
Marie-Françoise Reyniers
Kevin Van Geem
U
Journal Article
in
Industrial & Engineering Chemistry Research
2024
2023
Carburization of high-temperature alloys during steam cracking : the impact of alloy composition and temperature
Hamed Mohamadzadeh Shirazi
Arezoo Ghanbari
Florence Vermeire
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2023
Coke formation modeling under steam cracking conditions
Jia Zhang
Kevin Van Geem
Marie-Françoise Reyniers
Dissertation
2023
Comprehensive Fouling Assessment in Steam Crackers: Fossil versus Renewable NEXBTL Naphtha
Lucas Dos Santos Vargette
Hamed Mohamadzadeh Shirazi
Oleksii Mynko
Marvin Kusenberg
John Jamieson
Andrés E. Muñoz Gandarillas
Syam Ukkandath Aravindakshan
Marie-Françoise Reyniers
Kevin Van Geem
U
Journal Article
in
Industrial & Engineering Chemistry Research
2023
Mechanisms of fouling in steam crackers
Lucas Dos Santos Vargette
Hamed Mohamadzadeh Shirazi
Marie-Françoise Reyniers
Kevin Van Geem
U
Conference
2023
Which reaction pathways govern the decomposition of sulfur-containing compounds during pyrolysis of fossil and waste resources
Jeroen Aerssens
Cato Pappijn
Ruben Van de Vijver
Marie-Françoise Reyniers
Kevin Van Geem
C3
Conference
2023
2022
Behaviour of Platinum-Tin during CO2-assisted propane dehydrogenation : insights from quick X-ray absorption spectroscopy
Nadadur Veeraraghavan Srinath
Hilde Poelman
Lukas Buelens
Jolien Dendooven
Marie-Françoise Reyniers
Guy Marin
Vladimir Galvita
A1
Journal Article
in
JOURNAL OF CATALYSIS
2022
Combined catalytic and pyrolytic coking model for steam cracking of hydrocarbons
Jia Zhang
Ruben Van de Vijver
Ismaël Amghizar
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2022
Determining the fouling tendency of different feedstocks in the Fouling Assessment Setup (FAST)
Lucas Dos Santos Vargette
Marko Djokic
Geraldine Heynderickx
Marie-Françoise Reyniers
Kevin Van Geem
C3
Conference
2022
How CO2 interacts with Pt-based nanoalloys during CO2-assisted propane dehydrogenation
. Nadadur Veeraraghavan Srinath
Hilde Poelman
Lukas Buelens
Valentijn De Coster
Jolien Dendooven
Marie-Françoise Reyniers
Vladimir Galvita
C3
Conference
2022
New mechanism for autoxidation of polyolefins : kinetic Monte Carlo modelling of the role of short-chain branches, molecular oxygen and unsaturated moieties
Lies De Keer
Paul Van Steenberge
Marie-Françoise Reyniers
Ganna Gryn'ova
Heather M. Aitken
Michelle L. Coote
A1
Journal Article
in
POLYMER CHEMISTRY
2022
Pyrolysis and oxidation of ethylamine, dimethylamine and diethylamine: Theoretical and kinetic modeling study
Cato Pappijn
Florence Vermeire
Ruben Van de Vijver
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
U
Conference
2022
Unraveling the pyrolysis and oxidation chemistry of nitrogen, oxygen and sulfur containing hydrocarbon mixtures
Cato Pappijn
Kevin Van Geem
Marie-Françoise Reyniers
Dissertation
2022
2021
A comprehensive model for the role of water and silanols in the amine catalyzed aldol reaction
Anton De Vylder
Jeroen Lauwaert
Maarten Sabbe
Marie-Françoise Reyniers
Jeriffa De Clercq
Pascal Van Der Voort
Joris Thybaut
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2021
Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species
Cato Pappijn
Florence Vermeire
Ruben Van de Vijver
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2021
Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study
Cato Pappijn
Florence Vermeire
Ruben Van de Vijver
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2021
Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study
Cato Pappijn
Florence Vermeire
Ruben Van de Vijver
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
C3
Conference
2021
Computational prediction of the molecular configuration of three-dimensional network polymers
Lies De Keer
Karsu I. Kilic
Paul Van Steenberge
Lode Daelemans
Daniel Kodura
Hendrik Frisch
Karen De Clerck
Marie-Françoise Reyniers
Christopher Barner-Kowollik
Reinhold H. Dauskardt
et al.
Other
2021
Computational prediction of the molecular configuration of three-dimensional network polymers
Lies De Keer
Karsu I. Kilic
Paul Van Steenberge
Lode Daelemans
Daniel Kodura
Hendrik Frisch
Karen De Clerck
Marie-Françoise Reyniers
Christopher Barner-Kowollik
Reinhold H. Dauskardt
et al.
A1
Journal Article
in
NATURE MATERIALS
2021
Dehydration of butanol towards butenes over MFI, FAU and MOR : influence of zeolite topology
Arno de Reviere
Dieter Gunst
Maarten Sabbe
Marie-Françoise Reyniers
An Verberckmoes
A1
Journal Article
in
CATALYSIS SCIENCE & TECHNOLOGY
2021
Designing individual linear and network polymer molecules building block by building block
Lies De Keer
Dagmar D'hooge
Marie-Françoise Reyniers
Dissertation
2021
Effect of phosphine on coke formation during steam cracking of propane
Manjunath Patil
Marko Djokic
Kim Verbeken
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
MATERIALS
2021
Going beyond the carothers, flory and stockmayer equation by including cyclization reactions and mobility constraints
Lies De Keer
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
A1
Journal Article
in
POLYMERS
2021
In situ XAS/SAXS study of Al2O3-coated PtGa catalysts for propane dehydrogenation
Nadadur Veeraraghavan Srinath
Alessandro Longo
Hilde Poelman
Ranjith Karuparambil Ramachandran
Ji-Yu Feng
Jolien Dendooven
Marie-Françoise Reyniers
Vladimir Galvita
A1
Journal Article
in
ACS CATALYSIS
2021
Synergy of advanced experimental and modeling tools to underpin the synthesis of static step-growth-based networks involving polymeric precursor building blocks
Lies De Keer
Federica Cavalli
Diego Estupiñán
Andreas J. D. Krüger
Susana Rocha
Paul Van Steenberge
Marie-Françoise Reyniers
Laura De Laporte
Johan Hofkens
Leonie Barner
et al.
A1
Journal Article
in
MACROMOLECULES
2021
2020
Alumina-based coating for coke reduction in steam crackers
Stamatis Sarris
Steffen Symoens
Natália Olahová
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
MATERIALS
2020
Catalytic effect of dimethyl disulfide on coke formation on high-temperature alloys : myth or reality?
Manjunath Patil
Stamatis Sarris
Kim Verbeken
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2020
Challenges and opportunities of Carbon Capture and Utilization : electrochemical conversion of CO2 to ethylene
Cato Pappijn
Matthijs Ruitenbeek
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
FRONTIERS IN ENERGY RESEARCH
2020
Coke formation on high temperature alloys
Steffen Symoens
Kevin Van Geem
Marie-Françoise Reyniers
Dissertation
2020
Combined XPEEM and STXM study of coke formation on high temperature Al-containing alloys during steam cracking of ethane
Manjunath Patil
Jia Zhang
Lucas Dos Santos Vargette
Brecht Laforce
rachid belkhou
Sufal Swaraj
Hilde Poelman
Vladimir Galvita
Alessandro Longo
Laslo Vincze
et al.
C3
Conference
2020
Detailed experimental and kinetic modeling study of 3-carene pyrolysis
Jia Zhang
Florence Vermeire
Ruben Van de Vijver
Olivier Herbinet
Frédérique Battin-Leclerc
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2020
Ethanol dehydration pathways in H-ZSM-5 : insights from temporal analysis of products
Rakesh Batchu
Vladimir Galvita
Konstantinos Alexopoulos
Tatyana. S. Glazneva
Hilde Poelman
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CATALYSIS TODAY
2020
Experimental and kinetic modeling study of the pyrolysis and oxidation of diethylamine
Cato Pappijn
Nicolas Vin
Florence Vermeire
Ruben Van de Vijver
Olivier Herbinet
Frédérique Battin-Leclerc
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
FUEL
2020
Steam cracking coke properties and their influence on furnace run length predictions : experimental and modeling study
Moreno Geerts
Steffen Symoens
Pieter Reyniers
Guy Marin
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2020
The amazing world of network polymers and their applications
Dagmar D'hooge
Lies De Keer
Eva Loccufier
Killic Karsu
Paul Van Steenberge
Anastasia Kislyak
Hendrik Frisch
Lode Daelemans
Klaartje De Buysser
Marie-Françoise Reyniers
et al.
C3
Conference
2020
2019
A detailed understanding of RAFT bulk and miniemulsion polymerization
Dries Devlaminck
Yoshi Marien
Francisco Jose Arraez Hernandez
Marie-Françoise Reyniers
Paul Van Steenberge
Dagmar D'hooge
C3
Conference
2019
A multi-scale tool for functionalization of polyolefins through radical grafting
Julio César Hernández Ortiz
Paul Van Steenberge
Jan Duchateau
Carolina Toloza Porras
Fons Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C1
Conference
2019
A two-phase stochastic model to describe mass transport and kinetics during reactive processing of polyolefins
Julio César Hernández Ortiz
Paul Van Steenberge
Jan Duchateau
Carolina Toloza Porras
Fons Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2019
Alumina coated PtGa based catalysts for propane dehydrogenation
Nadadur Veeraraghavan Srinath
Hilde Poelman
Alessandro Longo
Ji-Yu Feng
Jolien Dendooven
Marie-Françoise Reyniers
Vladimir Galvita
C3
Conference
2019
Arrhenius parameters for acrylate radical polymerization using low and high temperature pulsed laser polymerization data
Yoshi Marien
Anil Vir
Paul Van Steenberge
Francisco Jose Arraez Hernandez
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2019
Atomic layer deposition of Al2O3 using aluminum triisopropoxide (ATIP) : a combined experimental and theoretical study
Ba Tai Truong
Li'ao Cao
Felix Mattelaer
Geert Rampelberg
Fatemeh SM Hashemi
Jolien Dendooven
J Ruud van Ommen
Christophe Detavernier
Marie-Françoise Reyniers
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2019
Bio-butanol conversion over zeolites : experimental approach supported by microkinetic modelling
Dieter Gunst
Marie-Françoise Reyniers
An Verberckmoes
Dissertation
2019
CBS-QB3 calculated bond additivity corrections for standard enthalpies of formation of C, H, N, O and S containing species
Cato Pappijn
Ruben Van de Vijver
Florence Vermeire
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
C3
Conference
2019
Coke formation during steam cracking
Steffen Symoens
Moreno Geerts
Guy Marin
Marie-Françoise Reyniers
Kevin Van Geem
C3
Conference
2019
Detailed experimental and kinetic modeling study of 3-carene pyrolysis
Jia Zhang
Florence Vermeire
Ruben Van de Vijver
Olivier Herbinet
Frédérique Battin-Leclerc
Marie-Françoise Reyniers
Kevin Van Geem
C1
Conference
2019
Deterministic modeling of the interplay between molecular diffusion and chemical kinetics of bulk RAFT polymerization
Nils De Rybel
Marie-Françoise Reyniers
Paul Van Steenberge
Dissertation
2019
Deterministic modelling of RAFT bulk and mini-emulsion polymerization up to high monomer conversion
Dries Devlaminck
Yoshi Marien
Lies De Keer
Marie-Françoise Reyniers
Paul Van Steenberge
Dagmar D'hooge
C3
Conference
2019
Effect of contaminants on coke formation during steam cracking of propane
Manjunath Patil
Marko Djokic
Guy Marin
Marie-Françoise Reyniers
Kevin Van Geem
C3
Conference
2019
Experimental and kinetic modeling study of the oxidation of a biofuel nitrogen-containing model compound
Cato Pappijn
Florence Vermeire
Olivier Herbinet
Frédeérique Battin-Leclerc
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
C3
Conference
2019
From molecule to material performance : multiscale design of (in)organic network polymers
Lies De Keer
K.I. Karsu
Paul Van Steenberge
H. Frisch
Lode Daelemans
Karen De Clerck
Marie-Françoise Reyniers
C. Barner- Kowollik
R.W. Dauskardt
Dagmar D'hooge
C3
Conference
2019
From n-butyl acrylate Arrhenius parameters for backbiting and tertiary propagation to β-scission via stepwise pulsed laser polymerization
Anil Vir
Yoshi Marien
Paul Van Steenberge
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
POLYMER CHEMISTRY
2019
From n-butyl acrylate Arrhenius parameters for backbiting and tertiary propagation to β-scission via stepwise pulsed laser polymerization
Anil Vir
Yoshi Marien
Paul Van Steenberge
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
Other
2019
In silico visualization of segments in network copolymers : the case of para-fluoro-thiol network ligation
Lies De Keer
Frederica Cavalli
Paul Van Steenberge
Marie-Françoise Reyniers
Leonie Barner
Dagmar D'hooge
C3
Conference
2019
In situ XAS/SAXS study of Al2O3 coated PtGa/MgAl2O4 catalysts for alkane dehydrogenation
Nadadur Veeraraghavan Srinath
Hilde Poelman
Alessandro Longo
Ji-Yu Feng
Jolien Dendooven
Marie-Françoise Reyniers
Vladimir Galvita
C3
Conference
2019
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 Rybel
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
MACROMOLECULES
2019
Modeling of miniemulsion polymerization of styrene with macro-raft agents to theoretically compare slow fragmentation, ideal exchange and cross-termination cases
Dries Devlaminck
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
A1
Journal Article
in
POLYMERS
2019
Multiphase modeling for reactive processing of polyolefins
Paul Van Steenberge
Julio César Hernández Ortiz
J.N. Duchateau
C. Toloza
F. Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2019
Pulsed laser polymerization of acrylates : access to tertiary propagation, backbiting and beta-scission Arrhenius parameters
Yoshi Marien
Anil Vir
Paul Van Steenberge
Francisco Jose Arraez Hernandez
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2019
QUANTIS : data quality assessment tool by clustering analysis
Steffen Symoens
Syam Ukkandath Aravindakshan
Florence Vermeire
Kevin De Ras
Marko Djokic
Guy Marin
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2019
Rational design of nucleophilic amine sites via computational probing of steric and electronic effects
Anton De Vylder
Jeroen Lauwaert
Maarten Sabbe
Marie-Françoise Reyniers
Jeriffa De Clercq
Pascal Van Der Voort
Joris Thybaut
A1
Journal Article
in
CATALYSIS TODAY
2019
Redox evolution of Pt-Sn alloys studied by time-resolved XAS
Nadadur Veeraraghavan Srinath
Hilde Poelman
Marie-Françoise Reyniers
Jolien Dendooven
Vladimir Galvita
C3
Conference
2019
Study of n-butanol conversion to butenes : effect of Si/Al ratio on activity, selectivity and kinetics
Dieter Gunst
Maarten Sabbe
Marie-Françoise Reyniers
An Verberckmoes
A1
Journal Article
in
APPLIED CATALYSIS A - GENERAL
2019
The relevance of multi‐injection and temperature profiles to design multi‐phase reactive processing of polyolefins
Julio César Hernández Ortiz
Paul Van Steenberge
Jan Duchateau
Carolina Toloza Porras
Fons Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2019
Visualization and design of the functional group distribution during statistical copolymerization
Paul Van Steenberge
Ondrej Sedlacek
Julio César Hernández Ortiz
Bart Verbraeken
Marie-Françoise Reyniers
Richard Hoogenboom
Dagmar D'hooge
A1
Journal Article
in
NATURE COMMUNICATIONS
2019
2018
A Novel Interpretation of Measured and Simulated PLP Data
Yoshi Marien
Paul Van Steenberge
Gilles Desmet
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
A detailed characterization and design of copolymerization (Keynote Speaker)
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
C3
Conference
2018
A joint experimental and modeling study to design polymer networks
Lies De Keer
Frederica Cavilli
Paul Van Steenberge
Marie-Françoise Reyniers
Leonie Barner
Dagmar D'hooge
C3
Conference
2018
A model platform to support design of functional polymeric materials
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
A multiphase model for reactive processing of polyolefins through grafting
Julio César Hernández Ortiz
Paul Van Steenberge
J.N. Duchateau
C. Toloza
F. Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
A novel tool to support the characterization of polymer gels
Lies De Keer
Frederica Cavalli
Paul Van Steenberge
Marie-Françoise Reyniers
Leonie Barner
Dagmar D'hooge
C3
Conference
2018
Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions
Ruben Van de Vijver
Maarten Sabbe
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2018
Ab initio group additivity model for the free radical reactions of nitrogen-containing compounds
Cato Pappijn
Ruben Van de Vijver
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
C3
Conference
2018
Ab-Initio Derived Group Additivity Model for Intra-Molecular Hydrogen Abstraction Reactions
Pieter Plehiers
Ruben Van de Vijver
Maarten Sabbe
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
C3
Conference
2018
Ab-initio-based kinetic modeling to understand RAFT exchange : the case of 2-Cyano-2-Propyl Dodecyl Trithiocarbonate and Styrene
Gilles Desmet
Nils De Rybel
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULAR RAPID COMMUNICATIONS
2018
Access to the β-scission rate coefficient in acrylate radical polymerization by careful scanning of pulse laser frequencies at elevated temperature
Anil Vir
Yoshi Marien
Paul Van Steenberge
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
REACTION CHEMISTRY & ENGINEERING
2018
An Unbiased Quantification of Copoly(2-oxazolines) for Drug Delivery Applications
Paul Van Steenberge
Julio César Hernández Ortiz
Bart Verbraeken
Marie-Françoise Reyniers
Richard Hoogenboom
Dagmar D'hooge
C3
Conference
2018
An evaluation of the impact of SG1 disproportionation and the addition of styrene in NMP of methyl methacrylate
Stijn Fierens
Paul Van Steenberge
Florence Vermeire
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
AICHE JOURNAL
2018
Analytical and advanced kinetic models for characterization of chain-growth copolymerization : the state-of-the-art
Stijn Fierens
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
REACTION CHEMISTRY & ENGINEERING
2018
CoatAlloy barrier coating for reduced coke formation in steam cracking reactors : experimental validation and simulations
Natália Olahová
Steffen Symoens
Marko Djokic
Nenad Ristic
Stamatis Sarris
Mathieu Couvrat
Fanny Riallant
Hugues Chasselin
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2018
Coking tendency of 25Cr-35Ni alloys : influence of temperature, sulfur addition, and cyclic aging
Natália Olahová
Stamatis Sarris
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2018
Data quality assessment by clustering analysis and principle component analysis
Steffen Symoens
Syam Ukkandath Aravindakshan
Florence Vermeire
Sri Bala Gorugantu
Guy Marin
Marie-Françoise Reyniers
Kevin Van Geem
C3
Conference
2018
Designing nitroxide mediated polymerization : a selection of a terminal or a penultimate model for the intrinsic reactivities
Paul Van Steenberge
Stijn Fierens
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
Deterministic modeling of degenerative RAFT miniemulsion polymerization rate and average polymer characteristics : invalidity of zero–one nature at higher monomer conversions
Dries Devlaminck
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
A1
Journal Article
in
MACROMOLECULES
2018
Effect of long-term high temperature oxidation on the coking behavior of Ni-Cr superalloys
Stamatis Sarris
Manjunath Patil
Kim Verbeken
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
MATERIALS
2018
Exploring pulsed laser polymerization in view of reactor design and control
Yoshi Marien
Paul Van Steenberge
Anil Vir
C. Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
First principle study of chain termination reactions during Fischer-Tropsch Synthesis on χ-Fe5C2(010)
José Guillermo Rivera de la Cruz
Maarten Sabbe
Marie-Françoise Reyniers
A1
Journal Article
in
MOLECULAR CATALYSIS
2018
First principle study on the formation of long hydrocarbon chains in Fischer-Tropsch synthesis over iron carbides
José Guillermo Rivera de la Cruz
Marie-Françoise Reyniers
Maarten Sabbe
Dissertation
2018
How chain length dependency interferes with the bulk RAFT polymerization rate and microstructural control
Nils De Rybel
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING SCIENCE
2018
How the kinetic Monte Carlo toolbox enhances the field of macromolecular engineering (Keynote Speaker)
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
Improved understanding of MADIX/RAFT polymerization of styrene and its chain extension
Dries Devlaminck
Paul Van Steenberge
Lies De Keer
Marie-Françoise Reyniers
Dagmar D'hooge
C3
Conference
2018
Influence of sulfur compounds on product yields and coke formation during steam cracking of hydrocarbons
Natália Olahová
Kevin Van Geem
Marie-Françoise Reyniers
Dissertation
2018
Light driven avenues to step growth and segmented block copolymers
Anja Goldmann
Thomas Gegenhuber
Lies De Keer
Silvana Hurrle
Paul Van Steenberge
Hatice Mutlu
Marie-Françoise Reyniers
Dagmar D'hooge
Christopher Barner-Kowollik
C3
Conference
2018
Mathematical modeling of network polymers
Lies De Keer
Federica Cavalli
Paul Van Steenberge
Marie-Françoise Reyniers
Leonie Barner
Dagmar D'hooge
C3
Conference
2018
Model-based design of MADIX under bulk and solution conditions
Dries Devlaminck
Paul Van Steenberge
Lies De Keer
Marie-Françoise Reyniers
Dagmar D'hooge
C3
Conference
2018
Modeling of thermodynamics of substituted toluene derivatives and benzylic radicals via group additivity
Alper Ince
Hans-Heinrich Carstensen
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2018
Multiphase reactor modeling for reactive processing of polyolefines
Julio César Hernández Ortiz
Paul Van Steenberge
Jan Duchateau
Carolina Toloza
Fons Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
New kinetic and mechanistic insights for MADIX of styrene and its chain extension
Dries Devlaminck
Paul Van Steenberge
Lies De Keer
Marie-Françoise Reyniers
Dagmar D'hooge
C3
Conference
2018
Novel insights in reactive processing by combining kinetic and reactor modeling
Julio César Hernández Ortiz
Paul Van Steenberge
J.N.E. Duchateau
C. Toloza
F. Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C1
Conference
2018
Pulsed laser (co)polymerization to determine intrinsic rate coefficients
Yoshi Marien
Paul Van Steenberge
Anil Vir
C. Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2018
Rational design of supported amine organocatalysts via computational probing of steric and electronic effects
Anton De Vylder
Jeroen Lauwaert
Maarten Sabbe
Marie-Françoise Reyniers
Jeriffa De Clercq
Pascal Van Der Voort
Joris Thybaut
C3
Conference
2018
Sensitivity analysis of single-phase isothermal free radical-induced grafting of polyethylene
Julio César Hernández Ortiz
Paul Van Steenberge
Jan N. E. Duchateau
C. Toloza
F. Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2018
State-of-the-art of coke formation during steam cracking: anti-coking surface technologies
Steffen Symoens
Natália Olahová
Andrés Muñoz Gandarillas
Hadiseh Karimi
Marko Djokic
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2018
Step growth and segmented block copolymers by photochemically induced reactions
Anja S. Goldmann
Thomas Gegenhuber
Lies De Keer
Silvana Hurrle
Paul Van Steenberge
Hatice Mutlu
Marie-Françoise Reyniers
Dagmar D'hooge
Christopher Barner-Kowollik
C3
Conference
2018
Stochastic simulation of MADIX/RAFT polymerization at the molecular level
Dries Devlaminck
Paul Van Steenberge
Lies De Keer
Marie-Françoise Reyniers
Dagmar D'hooge
C3
Conference
2018
Thermal decomposition of sulfur compounds: kinetic modeling and experimental validation
Cato Pappijn
Natália Olahová
Ruben Van de Vijver
Marko Djokic
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
C3
Conference
2018
Unravelling carbon formation on high temperature alloys and coatings
Stamatis Sarris
Kevin Van Geem
Marie-Françoise Reyniers
Dissertation
2018
2017
A complete understanding of the reaction kinetics for the industrial production process of expandable polystyrene
Lies De Keer
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Klaus-Dieter Hungenberg
Libor Seda
Dagmar D'hooge
A1
Journal Article
in
AICHE JOURNAL
2017
A detailed mechanistic study of bulk MADIX of styrene and its chain extension
Dries Devlaminck
Paul Van Steenberge
Lies De Keer
Marie-Françoise Reyniers
Dagmar D'hooge
A1
Journal Article
in
POLYMER CHEMISTRY
2017
A detailed mechanistic study of bulk MADIX of styrene and its chain extension
Dries Devlaminck
Paul Van Steenberge
Lies De Keer
Marie-Françoise Reyniers
Dagmar D'hooge
Other
2017
A generic platform for the visualization of all monomer sequences in individual copolymer chains
Paul Van Steenberge
Bart Verbraeken
Marie-Françoise Reyniers
Richard Hoogenboom
Dagmar D'hooge
C3
Conference
2017
A kinetic understanding of the combination of light-driven step-growth and RAFT polymerization
Lies De Keer
Thomas Gegenhuber
Paul Van Steenberge
Anja Goldmann
Marie-Françoise Reyniers
Christopher Barner-Kowollik
Dagmar D'hooge
C3
Conference
2017
A novel solution strategy for the simulation of bulk RAFT polymerization
Nils De Rybel
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
C3
Conference
2017
A tracking of the complete microstructural evolution of individual polymer chains during polymer modification reactions
Julio César Hernández Ortiz
Paul Van Steenberge
Jan Duchateau
Klaas Remerie
Carolina Toloza
Ana Luisa Vaz
Fons Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2017
Ab Initio study on the dimerization of lignol model species
Hans-Heinrich Carstensen
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2017
Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization
Gilles Desmet
Yoshi Marien
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
POLYMER CHEMISTRY
2017
Ab initio based modeling for the synthesis of RAFT polymers and their modifications
Gilles Desmet
Marie-Françoise Reyniers
Guy Marin
Dissertation
2017
Ab initio coverage-dependent microkinetic modeling of benzene hydrogenation on Pd(111)
Maarten Sabbe
Gonzalo Canduela-Rodriguez
Jean-François Joly
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CATALYSIS SCIENCE & TECHNOLOGY
2017
An advanced kinetic modeling for reactive polymer processing
Julio César Hernández Ortiz
Paul Van Steenberge
Jan Duchateau
Carolina Toloza Porras
Fons Schreurs
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2017
An update on the pivotal role of kinetic modeling for the mechanistic understanding and design of bulk and solution RAFT polymerization
Nils De Rybel
Paul Van Steenberge
Marie-Françoise Reyniers
Christopher Barner-Kowollik
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2017
Bio-butanol dehydration via zeolites as a missing link between classic and bio refineries
An Verberckmoes
Dieter Gunst
Konstantinos Alexopoulos
Marie-Françoise Reyniers
C3
Conference
2017
Effect of zeolite confinement on the conversion of 1-butanol to butene isomers : mechanistic insights from DFT based microkinetic
Mathew John
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CATALYSIS SCIENCE & TECHNOLOGY
2017
Estimating the photodissociation quantum yield from PLP-SEC peak heights
Yoshi Marien
Paul Van Steenberge
Katrin Kockler
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
POLYMER CHEMISTRY
2017
First Principle study on the adsorption of hydrocarbon chains involved in fischer-tropsch synthesis over iron carbides
José Guillermo Rivera de la Cruz
Maarten Sabbe
Marie-Françoise Reyniers
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2017
First principles based microkinetic modeling of methyl butanoate pyrolysis
Paschalis Paraskevas
Florence Vermeire
Marko Djokic
Maarten Sabbe
Marie-Françoise Reyniers
N. Papayannakos
Kevin Van Geem
Guy Marin
C3
Conference
2017
Fusing light-induced step-growth processes with RAFT chemistry for segmented copolymer synthesis : a synergetic experimental and kinetic modeling study
Thomas Gegenhuber
Lies De Keer
Anja Goldmann
Paul Van Steenberge
Jan Mueller
Marie-Françoise Reyniers
Jan Menzel
Dagmar D'hooge
Christopher Barner-Kowollik
A1
Journal Article
in
MACROMOLECULES
2017
Group additive modeling of substituent effects in monocyclic aromatic hydrocarbon radicals
Alper Ince
Hans-Heinrich Carstensen
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2017
How penultimate monomer unit effects and initiator choice influence ICAR ATRP of n-butyl acrylate and methyl methacrylate
Stijn Fierens
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
AICHE JOURNAL
2017
Impact of initial surface roughness and aging on coke formation during Ethane steam cracking
Stamatis Sarris
Steffen Symoens
Natália Olahová
Kim Verbeken
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2017
Kinetic Monte Carlo generation of complete electron spray ionization mass spectra for acrylate macromonomer synthesis
Paul Van Steenberge
Joke Vandenbergh
Marie-Françoise Reyniers
Thomas Junkers
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
MACROMOLECULES
2017
Kinetic Monte Carlo modeling extracts information on chain initiation and termination from complete PLP-SEC traces
Yoshi Marien
Paul Van Steenberge
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
A1
Journal Article
in
MACROMOLECULES
2017
Kinetics of the thermal decomposition of sulfur compounds
Marko Djokic
Cato Pappijn
Ruben Van de Vijver
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
C3
Conference
2017
Mechanistic insights into the formation of butene isomers from 1-butanol in H-ZSM-5 : DFT based microkinetic modelling
Mathew John
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CATALYSIS SCIENCE & TECHNOLOGY
2017
Microstructural design of functional polymeric materials : a model-guided approach
Stijn Fierens
Marie-Françoise Reyniers
Paul Van Steenberge
Dissertation
2017
Model-based design of reaction conditions for segmented copolymer synthesis by combining step : and chain-growth polymerization
T. Gegenhuber
Lies De Keer
Paul Van Steenberge
A. Goldmann
Marie-Françoise Reyniers
C. Barner-Kowollik
Dagmar D'hooge
C3
Conference
2017
Modeling the reaction event history and microstructure of individual macrospecies in post-polymerization modification
Julio César Hernández Ortiz
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
Jan Duchateau
Klaas Remerie
Carolina Toloza
Ana Luisa Vaz
Fons Schreurs
A1
Journal Article
in
AICHE JOURNAL
2017
New perspectives for step-growth polymerization : light driven step-growth fused with chain extension via RAFT polymerization
Lies De Keer
Thomas Gegenhuber
Paul Van Steenberge
Anja Goldmann
Marie-Françoise Reyniers
Dagmar D'hooge
Christopher Barner-Kowollik
C3
Conference
2017
Optimization of the in situ pretreatment of high temperature Ni-Cr alloys for ethane steam cracking
Stamatis Sarris
Natália Olahová
Kim Verbeken
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2017
Positive effect of Ga-promoting on the catalytic dehydrogenation of propane over a Pt catalyst
Stephanie Saerens
Maarten Sabbe
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2017
Pulsed Laser Polymerization Revisited : From the Photodissociation Quantum Yield to the Chain Initiation, Propagation, Backbiting and Termination Reactivity
Yoshi Marien
Paul Van Steenberge
Katrin Kockler
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Guy Marin
Dagmar D'hooge
C3
Conference
2017
Role of intermediates in reaction pathways from ethene to hydrocarbons over H-ZSM-5
Rakesh Batchu
Vladimir Galvita
Konstantinos Alexopoulos
Kristof Van der Borght
Hilde Poelman
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
APPLIED CATALYSIS A-GENERAL
2017
Role of products and intermediates in bioethanol conversion to hydrocarbons on H-ZSM-5 : a time-resolved study
Rakesh Batchu
Vladimir Galvita
Konstantinos Alexopoulos
Kristof Van der Borght
Hilde Poelman
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2017
Step-growth polymers as macro chain transfer agents - an experimental and theoretical study
Thomas Gegenhuber
Lies De Keer
Anja Goldmann
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
Christopher Barner-Kowollik
C3
Conference
2017
Study of butanol conversion to butenes over H-ZSM-5 : effect of chemical structure on activity, selectivity and reaction pathways
Dieter Gunst
Konstantinos Alexopoulos
Kristof Van der Borght
Mathew John
Vladimir Galvita
Marie-Françoise Reyniers
An Verberckmoes
A1
Journal Article
in
APPLIED CATALYSIS A-GENERAL
2017
Substituent effects in oxygenated monocyclic aromatic hydrocarbons : ab initio based group additivity
Alper Ince
Marie-Françoise Reyniers
Guy Marin
Dissertation
2017
The positive role of hydrogen on the dehydrogenation of Propane on Pt(111)
Stephanie Saerens
Maarten Sabbe
Vladimir Galvita
Evgeniy Redekop
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
ACS CATALYSIS
2017
The relevance of the termination rate coefficient model to accurately describe the chain length distribution in the industrial production of expandable polystyrene
Lies De Keer
Paul Van Steenberge
Marie-Françoise Reyniers
Klaus-Dieter Hungenberg
Dagmar D'hooge
Guy Marin
C3
Conference
2017
The synergy of experiments and modeling to identify all monomer sequences and functional groups in copolymerization processes
Paul Van Steenberge
Lies De Keer
Dries Devlaminck
Marie-Françoise Reyniers
Dagmar D'hooge
C3
Conference
2017
Thiol-Michael addition in polar aprotic solvents : nucleophilic initiation or base catalysis?
Gilles Desmet
Maarten Sabbe
Dagmar D'hooge
Pieter Espeel
Sensu Celasun
Guy Marin
Filip Du Prez
Marie-Françoise Reyniers
A1
Journal Article
in
POLYMER CHEMISTRY
2017
Zeolite catalysed conversion of alcohols to hydrocarbons: from molecular to industrial scale
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2017
2016
A Multi-Scale Modelling Platform applied towards Fischer Tropsch Synthesis on Fe catalysts
José Guillermo Rivera de la Cruz
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
A full exploitation of the pulsed laser polymerization technique to assess all important rate coefficients in acrylate radical polymerization
Yoshi Marien
Paul Van Steenberge
KB Kockler
C Barner-Kowollik
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
C1
Conference
2016
A new method for the measurement of the backbiting rate coefficient in acrylate radical polymerization
Yoshi Marien
Paul Van Steenberge
Katrin Kockler
Cristopher Barner-Kowollik
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
C3
Conference
2016
A novel method for the measurement of accurate degenerative chain transfer coefficients: proof of concept and experimental validation
Pieter Derboven
Paul Van Steenberge
Marie-Françoise Reyniers
C Barner-Kowollik
Dagmar D'hooge
A1
Journal Article
in
POLYMER CHEMISTRY
2016
Ab initio based microkinetic modelling as a tool to understand and improve controlled polymerization processes
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
Ab initio molecular dynamics for ethanol asorption in H-ZSM-5
Konstantinos Alexopoulos
M-S Lee
Y Liu
Y Zhi
YS Liu
Marie-Françoise Reyniers
Guy Marin
V-A Glezakou
R Rousseau
JA Lercher
C3
Conference
2016
Advanced microkinetics of reversible addition-fragmentation chain transfer polymerization
Pieter Derboven
Marie-Françoise Reyniers
Guy Marin
Dissertation
2016
Al-based coating for coke reduction during ethane steam cracking
Stamatis Sarris
Natália Olahová
Marko Djokic
M Couvrat
F Riallant
H Chasselin
Marie-Françoise Reyniers
Guy Marin
Kevin Van Geem
C3
Conference
2016
An alternative method to estimate the bulk backbiting rate coefficient in acrylate radical polymerization
Yoshi Marien
Paul Van Steenberge
Katrin B Kockler
Christopher Barner-Kowollik
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
POLYMER CHEMISTRY
2016
An experimental and kinetic modeling study of γ-valerolactone pyrolysis
Ruben De Bruycker
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
J. Simmie
Kevin Van Geem
A1
Journal Article
in
COMBUSTION AND FLAME
2016
Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
Konstantinos Alexopoulos
M-S Lee
Y Liu
Y Zhi
YS Liu
Marie-Françoise Reyniers
Guy Marin
V-A Glezakou
R Rousseau
J Lercher
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2016
Bio-butanol dehydration and butene isomerization in zeolites : ab initio and microkinetic modelling
Mathew John
Marie-Françoise Reyniers
Guy Marin
Dissertation
2016
Bio-butanol dehydration by zeolites: the missing link between classic and bio refinery
Dieter Gunst
Konstantinos Alexopoulos
An Verberckmoes
Marie-Françoise Reyniers
C3
Conference
2016
Catalytic dehydrogenation of propane on Pt catalysts: the positive effect of hydrogen co-feeding
Stephanie Saerens
Maarten Sabbe
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
Chain transfer in degenerative RAFT polymerization revisited: a comparative study of literature models
Pieter Derboven
Paul Van Steenberge
Marie-Françoise Reyniers
C Barner-Kowollik
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2016
Computational Investigation of the Aminolysis of RAFT Macromolecules
Gilles Desmet
Dagmar D'hooge
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF ORGANIC CHEMISTRY
2016
Computational and kinetic study of the thiol and aza Michael addition
Gilles Desmet
Dagmar D'hooge
Maarten Sabbe
Guy Marin
Filip Du Prez
Marie-Françoise Reyniers
C3
Conference
2016
DFT-based and microkinetic analysis of zeolite-catalyzed conversion of bio-alcohols
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
Konstantinos Alexopoulos
Mathew John
Kristof Van der Borght
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2016
Detailed kinetic analysis of reversible deactivation radical polymerization
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
Early stages in the formation and burning of graphene on a Pt/Mg(Al)Ox dehydrogenation catalyst: a temperature- and time-resolved study
Evgeniy Redekop
Stephanie Saerens
Vladimir Galvita
IP González
Maarten Sabbe
V Bliznuk
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2016
First Principles Based Microkinetic Modelling of Methyl Butanoate Pyrolysis
Florence Vermeire
Paschalis Paraskevas
Ruben Van de Vijver
Ruben De Bruycker
Maarten Sabbe
Marie-Françoise Reyniers
Nikos Papayannakos
Guy Marin
Kevin Van Geem
C3
Conference
2016
First principles kinetic study on the effect of zeolite framework on 1-butanol dehydration
Mathew John
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
ACS CATALYSIS
2016
Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates
Paschalis Paraskevas
Maarten Sabbe
Marie-Françoise Reyniers
NG Papayannakos
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2016
Implementation of stereochemistry in automatic kinetic model generation
Nick Vandewiele
Ruben Van de Vijver
Hans-Heinrich Carstensen
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2016
In silico based design of nitroxide mediated polymerization: from homopolymers to sequence controlled polymers
Stijn Fierens
Paul Van Steenberge
Sofia Telitel
Marie-Françoise Reyniers
Jean - François Lutz
Dagmar D'hooge
Guy Marin
C3
Conference
2016
Insights into the reaction mechanism of ethanol conversion into hydrocarbons on H-ZSM-5
Kristof Van der Borght
Rakesh Batchu
Vladimir Galvita
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Joris Thybaut
Guy Marin
A1
Journal Article
in
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
2016
Model-based design of homogeneous MADIX/RAFT polymerization of styrene
Dries Devlaminck
Lies De Keer
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
C3
Conference
2016
Model-based design of the microstructure of individual copoly(2-oxaziline) chains
Paul Van Steenberge
B Verbraecken
Marie-Françoise Reyniers
Richard Hoogenboom
Dagmar D'hooge
C3
Conference
2016
Model-based design to push the boundaries of sequence control
Stijn Fierens
Sofia Telitel
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Jean-François Lutz
Dagmar D'hooge
A1
Journal Article
in
MACROMOLECULES
2016
Modeling of monomer sequences along copolymer chains
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Bookchapter
in
Online reference database chemistry, molecular sciences and chemical engineering
2016
Multi-objective optimization of feeding rates and temperature program for nitroxide mediated (co)polymerization of styrene and n-butyl acrylate
Paul Van Steenberge
Stijn Fierens
Marie-Françoise Reyniers
Dagmar D'hooge
Guy Marin
C3
Conference
2016
Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt
Stephanie Saerens
Maarten Sabbe
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt
Stephanie Saerens
Maarten Sabbe
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
Quantitative first principles based kinetic modeling for the synthesis of well-defined macromolecular architectures
Gilles Desmet
Dagmar D'hooge
Maarten Sabbe
Guy Marin
Marie-Françoise Reyniers
C3
Conference
2016
Quantitative first-principles kinetic modeling of the aza-Michael addition to acrylates in polar aprotic solvents
Gilles Desmet
Dagmar D'hooge
Pinar Sinem Omurtag
Pieter Espeel
Guy Marin
Filip Du Prez
Marie-Françoise Reyniers
A1
Journal Article
in
JOURNAL OF ORGANIC CHEMISTRY
2016
Role of anharmonicity in the confinement effect in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
M-S Lee
Konstantinos Alexopoulos
Y Liu
Y Zhi
YS Liu
Marie-Françoise Reyniers
Guy Marin
V-A Glezakou
R Rousseau
JA Lercher
C3
Conference
2016
The role of CO2 in the dehydrogenation of propane over WOx-VOx/SiO2
Isabelle Ascoop
Vladimir Galvita
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Pascal Van Der Voort
Vitaliy Bliznuk
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2016
The strength of multi-scale modeling to unveil the complexity of radical polymerization
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
PROGRESS IN POLYMER SCIENCE
2016
Thermal decomposition of sulfur compounds and their role in coke formation during steam cracking of heptane
Natália Olahová
Ruben Van de Vijver
Nenad Ristic
Guy Marin
Marie-Françoise Reyniers
Kevin Van Geem
A1
Journal Article
in
CHEMICAL ENGINEERING & TECHNOLOGY
2016
Ti-base alloy coking behavior during steam cracking of ethane
Stamatis Sarris
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
C1
Conference
2016
Volume-of-fluid simulations of bubble dynamics in a vertical Hele-Shaw cell
X Wang
B Klaasen
J Degrève
Amit Mahulkar
Geraldine Heynderickx
Marie-Françoise Reyniers
B Blanpain
F Verhaeghe
A1
Journal Article
in
PHYSICS OF FLUIDS
2016
Zeolite catalysed conversion of alcohols to hydrocarbons: from molecular to industrial scale
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2016
2015
A combined experimental and modeling study of the nitroxide mediated polymerization of styrene initiated by BlocBuilderTM
Stijn Fierens
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
A comparative study of RAFT polymerization of n-butyl acrylate under microflow and batch conditions
Pieter Derboven
Paul Van Steenberge
J Vandenbergh
Marie-Françoise Reyniers
T Junkers
Dagmar D'hooge
Guy Marin
C3
Conference
2015
A comparison of acrylate kinetics in batch and microreactors under RAFT solution polymerization conditions
Pieter Derboven
Paul Van Steenberge
J Vandenbergh
Marie-Françoise Reyniers
T Junkers
Dagmar D'hooge
Guy Marin
C3
Conference
2015
A density functional theory study of alumina atomic layer deposition on alumina and silica
Aditya Shankar Sandupatla
Guy Marin
Marie-Françoise Reyniers
Dissertation
2015
A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
Nils De Rybel
Pieter Derboven
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
Nils De Rybel
Pieter Derboven
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
A multi-scale modelling platform applied towards fischer tropsch synthesis on Fe catalysts
José Guillermo Rivera de la Cruz
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
A novel 4-dimensional modeling strategy for optimization of NMP mini- and microemulsion
Dagmar D'hooge
Paul Van Steenberge
S George
Marie-Françoise Reyniers
MF Cunningham
Guy Marin
C3
Conference
2015
A systematic study of radical addition reactions to substituted benzenes reverse beta-scission reactions
Hans-Heinrich Carstensen
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2015
A theoretical study of standard heat of formation of systems involving in the zinc reduction of silicon tetrachloride
Ahmed Dkhissi
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
THEORETICAL CHEMISTRY ACCOUNTS
2015
Ab initio investigation of surface chemistry of alumina ALD on hydroxylated γ-alumina surface
Aditya Shankar Sandupatla
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2015
Abstraction from weak C-H Bond of ortho/paramethylcyclohexadienone isomers critical in improving product distribution in anisole pyrolysis
Yogesh Koirala
Stephanie Villano
Anthony Dean
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Acidity of H-ZSM-5 and H-FAU as a function of Si/Al ratio
Martin Purino
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Adsorption thermodynamics of C1–C4 alcohols in H–FAU, H–MOR, H–ZSM–5 and H–ZSM–22
Cuong Manh Nguyen
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2015
Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges
Ruben Van de Vijver
Nick Vandewiele
PL Bhoorasingh
BL Slakman
FS Khanshan
Marie-Françoise Reyniers
Guy Marin
R West
Kevin Van Geem
A1
Journal Article
in
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2015
Bio-butanol dehydration in zeolites: mechanistic insights from DFT-based microkinetic modeling
Mathew John
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
CO2 FTS
José Guillermo Rivera de la Cruz
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
CO2 FTS
José Guillermo Rivera de la Cruz
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Catalyis for renewable resources: bioalcohol conversion
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Catalyis for renewable resources: bioalcohol conversion
Guy Marin
Marie-Françoise Reyniers
C3
Conference
2015
Catalytic conversion of bioalcohols: from first principles to industrial scale
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Computational study and kinetic analysis of the aminolysis of thiolactones
Gilles Desmet
Dagmar D'hooge
Maarten Sabbe
Guy Marin
Filip Du Prez
Pieter Espeel
Marie-Françoise Reyniers
A1
Journal Article
in
JOURNAL OF ORGANIC CHEMISTRY
2015
Computational study of the aminolysis of thiolactones
Gilles Desmet
Dagmar D'hooge
Pieter Espeel
Guy Marin
Filip Du Prez
Marie-Françoise Reyniers
C3
Conference
2015
Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts
Stephanie Saerens
Maarten Sabbe
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts
Stephanie Saerens
Maarten Sabbe
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface
Aditya Shankar Sandupatla
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2015
DFT-based modeling of benzene hydrogenation on Pt at industrially relevant coverage
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2015
DFT-based modeling of benzene hydrogenation on Pt at industrially representative coverage
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Design of Pt-based catalysts for the catalytic dehydrogenation of propane
Stephanie Saerens
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Exploring the full potential of reversible deactivation radical polymerization using pareto-optimal fronts
Stijn Fierens
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
POLYMERS
2015
First principles based design of bimetallic catalysts for benzene hydrogenation
Gonzalo Canduela Rodriguez
Marie-Françoise Reyniers
Maarten Sabbe
Dissertation
2015
First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
Alper Ince
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2015
First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
Alper Ince
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2015
Group additive kinetics for hydrogen transfer between oxygenates
Paschalis Paraskevas
Maarten Sabbe
Marie-Françoise Reyniers
N papayannakos
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2015
Impact of H2 addition on formation of PAH during anisole pyrolysis
Yogesh Koirala
Stephanie Villano
Anthony Dean
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Implementation of stereochemistry in automatic kinetic model generation
Nick Vandewiele
Ruben Van de Vijver
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2015
Improved livingness and control over branching in RAFT polymerization of acrylates : could microflow synthesis make the difference?
Pieter Derboven
Paul Van Steenberge
Joke Vandenbergh
Marie-Françoise Reyniers
Thomas Junkers
Dagmar D'hooge
Guy Marin
Other
2015
Improved livingness and control over branching in RAFT polymerization of acrylates: could microflow synthesis make the difference?
Pieter Derboven
Paul Van Steenberge
Joke Vandenbergh
Marie-Françoise Reyniers
Thomas Junkers
Dagmar D'hooge
Guy Marin
A1
Journal Article
in
MACROMOLECULAR RAPID COMMUNICATIONS
2015
Improved mechanistic insights into radical sulfinyl precursor MDMO-PPV synthesis by combining microflow technology and computer simulations
Neomy Zaquen
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
Joke Vandenbergh
Laurence Lutsen
Dirk JM Vanderzande
Thomas Junkers
A1
Journal Article
in
MACROMOLECULES
2015
Improved simulation of miniemulsion NMP of acrylates: relevance of partitioning and short chain branch formation
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
MF Cunningham
Guy Marin
C3
Conference
2015
Kinetic Monte Carlo optimization of reactant feed control toward tailored gradient copolymers
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Kinetic modeling of jet propellant-10 pyrolysis
Nick Vandewiele
GR Magoon
Kevin Van Geem
Marie-Françoise Reyniers
WH Green
Guy Marin
A1
Journal Article
in
ENERGY & FUELS
2015
Kinetic study of the Aminolysis of Thiolactones
Gilles Desmet
Dagmar D'hooge
Maarten Sabbe
Guy Marin
Filip Du Prez
Pieter Espeel
Marie-Françoise Reyniers
C3
Conference
2015
MAMA-SG1 initiated nitroxide mediated polymerization of styrene: from Arrhenius parameters to model-based design
Stijn Fierens
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2015
Microkinetic model for the pyrolysis of methyl esters: from model compound to industrial biodiesel
Ruben De Bruycker
Steven Pyl
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2015
Model-based design of the polymer microstructure : bridging the gap between polymer chemistry and engineering
Dagmar D'hooge
Paul Van Steenberge
Pieter Derboven
Marie-Françoise Reyniers
Guy Marin
Other
2015
Model-based design of the polymer microstructure: bridging the gap between polymer chemistry and engineering
Dagmar D'hooge
Paul Van Steenberge
Pieter Derboven
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
POLYMER CHEMISTRY
2015
Model-based visualization and understanding of monomer sequence formation in the synthesis of gradient copoly(2-oxazoline)s on the basis of 2-methyl-2-oxazoline and 2-phenyl-2-oxazoline
Paul Van Steenberge
Bart Verbraeken
Marie-Françoise Reyniers
Richard Hoogenboom
Dagmar D'hooge
A1
Journal Article
in
MACROMOLECULES
2015
Molecular dynamics study of ethanol adsorption and protonation in H-ZSM-5
Konstantinos Alexopoulos
M-S Lee
Marie-Françoise Reyniers
Guy Marin
V-A Glezakou
R Rousseau
JA Lercher
C3
Conference
2015
Monomer sequences of individual copoly(2-oxazoline) chains based on 2-Methyl-2-oxazoline and 2-Phenyl-2-Oxazoline: visualization and model-based design
Paul Van Steenberge
B Verbraecken
Marie-Françoise Reyniers
Richard Hoogenboom
Dagmar D'hooge
C3
Conference
2015
Nature of poly(2-oxazoline) gradient copolymers
B Verbraecken
Paul Van Steenberge
Marie-Françoise Reyniers
Dagmar D'hooge
SK Filippov
R Hoogenboom
C3
Conference
2015
Nitroxide mediated polymerization of styrene: from Arrhenius parameters to NMP kinetics and explicit visualization of microstructure
Stijn Fierens
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Novel heuristics for mediating radical chain reactions: a stochastic simulation of the synthesis of copolymers with tailored monomer sequences
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2015
Reaction path analysis for 1-butanol dehydration in H-ZSM-5 zeolite: ab initio and microkinetic modeling
Mathew John
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2015
Rule-based ab initio kinetic model for alkyl sulfide pyrolysis
Ruben Van de Vijver
N.M. Vandewiele
Aäron Vandeputte
Kevin Van Geem
Marie-Françoise Reyniers
W.H. Green
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2015
Selective etherification of beta-citronellene catalyzed by zeolite beta
S Radhakrishnan
Martin Purino
Konstantinos Alexopoulos
F Taulelle
Marie-Françoise Reyniers
Guy Marin
JA Martens
A1
Journal Article
in
GREEN CHEMISTRY
2015
Strength of model-based design for the synthesis of well-defined macromolecular architectures via a radical mechanism
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Structure, adsorption free energy, and spectroscopy of ethanol in HZSM-5
M-S Lee
Konstantinos Alexopoulos
Y Liu
Y Zhi
YS Liu
Marie-Françoise Reyniers
Guy Marin
VA Glezakou
R Rousseau
JA Lercher
C3
Conference
2015
Sustainable conversion of biomass oxygenates : ab initio based model simulation
Paschalis Paraskevas
Marie-Françoise Reyniers
Guy Marin
Nikolaos G Papayannakos
Dissertation
2015
Symmetry calculation for molecules and transition states
Nick Vandewiele
Ruben Van de Vijver
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2015
Systematic investigation of alkyl sulfonate initiators for the cationic ring-opening polymerization of 2-oxazolines revealing optimal combinations of monomers and initiators
Mathias Glassner
Dagmar D'hooge
Jin Young Park
Paul Van Steenberge
Bryn Monnery
Marie-Françoise Reyniers
Richard Hoogenboom
A1
Journal Article
in
EUROPEAN POLYMER JOURNAL
2015
The effect of dealumination with HCl on MFI and FER type zeolites on the dehydration of n-butanol
Dieter Gunst
An Verberckmoes
Marie-Françoise Reyniers
C3
Conference
2015
The long and the short of radical polymerization
Pieter Derboven
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C Barner-Kowollik
A1
Journal Article
in
MACROMOLECULES
2015
The strength of model-based design for nitroxide mediated polymerization
Dagmar D'hooge
Stijn Fierens
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2015
Towards automated mechanism generation of lignin pyrolysis models: development of Group Additivity parameters for aromatic species
Hans-Heinrich Carstensen
Alper Ince
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2015
Understanding the decomposition of sulfur compounds during steam cracking
Natália Olahová
Marko Djokic
Stamatis Sarris
Ruben Van de Vijver
Nenad Ristic
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
C3
Conference
2015
2014
4-dimensional modeling strategy for an improved understanding of miniemulsion NMP of acrylates initiated by SG1-macroinitiator
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
M.F. Cunningham
A1
Journal Article
in
MACROMOLECULES
2014
Assesment of different zeolites in butanol dehydration
Dieter Gunst
Kristof Van der Borght
Vladimir Galvita
An Verberckmoes
Marie-Françoise Reyniers
C3
Conference
2014
Assessment of different zeolites in butanol dehydration
Dieter Gunst
Kristof Van der Borght
Vladimir Galvita
An Verberckmoes
Marie-Françoise Reyniers
C3
Conference
2014
Coking resistance of specialized coil materials during steam cracking of sulfur-free naphtha
Andres Muñoz Gandarillas
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2014
Controlled synthesis of poly(BMA-co-BA) via ARGET ATRP: insights and improvement
Kevin Payne
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
RA Hutchinson
MF Cunningham
A1
Journal Article
in
POLYMER INTERNATIONAL
2014
Coverage dependent kinetics of benzene hydrogenation on Pt and Pd catalysts
Maarten Sabbe
Gonzalo Canduela Rodriguez
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Development of an improved kinetic mechanism for the pyrolysis of anisole in H2 environment
Y Koirala
SM Villano
AM Dean
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Ethanol dehydration: from ab initio to industrial reactor simulation
Kristof Van der Borght
Konstantinos Alexopoulos
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Experimental and modeling study on the thermal decomposition of Jet Propellant-10
Nick Vandewiele
G Magoon
Kevin Van Geem
Marie-Françoise Reyniers
W.H. Green
Guy Marin
A1
Journal Article
in
ENERGY & FUELS
2014
Experimental and theoretical methods in kinetic studies of heterogeneously catalyzed reactions
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING
2014
Fed-batch control and visualization of monomer sequences of individual ICAR ATRP gradient copolymer chains
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
POLYMERS
2014
First time measurement of the short-long termination reactivity via the RAFT-CLD-T technique
Pieter Derboven
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C Barner-Kowollik
C3
Conference
2014
ICAR ATRP for estimation of intrinsic macro-activation/deactivation Arrhenius parameters under polymerization condition
Carolina Toloza Porras
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2014
Improved insights on the kinetics of the radical sulfinyl PPV polymerization
N Zaquen
J Vandenbergh
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
L Lutsen
DJM Vanderzande
T Junkers
C3
Conference
2014
Improved kinetic Monte Carlo simulation of chemical composition-chain length distributions in polymerization processes
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING SCIENCE
2014
Influence of the reactor coil material on coke formation during steam cracking of hydrocarbons
Andres Muñoz Gandarillas
Guy Marin
Marie-Françoise Reyniers
Dissertation
2014
Influence of the reactor material composition on coke formation during ethane steam cracking
Andres Muñoz Gandarillas
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2014
Kinetic Monte Carlo based design of 2-oxazoline sequences targeting improved copolymer properties
Paul Van Steenberge
Bart Verbraeken
Dagmar D'hooge
Marie-Françoise Reyniers
Richard Hoogenboom
Guy Marin
C3
Conference
2014
Kinetic Monte Carlo calculation of electrospray ionization mass spectra toward the determination of rate coefficients for radical migration, inter- and intramolecular transfer
Paul Van Steenberge
Dagmar D'hooge
J Bandenbergh
Marie-Françoise Reyniers
T Junkers
Guy Marin
C3
Conference
2014
Kinetic model construction using chemoinformatics
Nick Vandewiele
Guy Marin
Marie-Françoise Reyniers
Dissertation
2014
Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms
Paschalis Paraskevas
Maarten Sabbe
Marie-Françoise Reyniers
N Papayannakos
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2014
Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by carbon-centered radicals
Paschalis Paraskevas
Maarten Sabbe
Marie-Françoise Reyniers
Nikos Papayannakos
Guy Marin
A1
Journal Article
in
CHEMPHYSCHEM
2014
Midchain Radical Migration: From Experimental Observation to Improved Modelling of Acrylate Polymerizations
J Vandenbergh
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
T Junkers
C3
Conference
2014
Model-based design of nitroxide mediated polymerization
Stijn Fierens
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Model-based design of nitroxide mediated polymerization of styrene
Stijn Fierens
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Model-based optimization of reversible addition-fragmentation chain transfer polymerization of styrene
Nils De Rybel
Pieter Derboven
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Multi-scale Modeling of the Polymerization of Thiolactone Containing Monomers based on Amine-Thiol-Ene Conjugation Chemistry
Gilles Desmet
Lawrence Vanhoye
F. Goehtals
Dagmar D'hooge
Pieter Espeel
Filip Du Prez
Guy Marin
Marie-Françoise Reyniers
C3
Conference
2014
Multi-scale modeling of amine-thiol-ene conjugation chemistry for macromolecular design
Gilles Desmet
Lawrence Vanhoye
Fabienne Goethals
D D'Hooge
Pieter Espeel
Guy Marin
Filip Du Prez
Marie-Françoise Reyniers
C3
Conference
2014
Periodic DFT study of benzene adsorption on Pd(100) and Pd(110) at medium and saturation coverage
Gonzalo Canduela Rodriguez
Maarten Sabbe
Marie-Françoise Reyniers
Jean-François Joly
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2014
Predictive kinetic modeling of formation of aromatics during pyrolysis of alcohol fuels
SS Merchant
Aäron Vandeputte
Ruben De Bruycker
Marie-Françoise Reyniers
Kevin Van Geem
WH Green
C3
Conference
2014
Pt-based bimetallic catalysts for alkane dehydrogenation: structural, spectroscopic, and kinetic characterization
Evgeniy Redekop
Vladimir Galvita
Hilde Poelman
Vitaliy Bliznuk
Christophe Detavernier
Stephanie Saerens
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Recent advances in kinetic Monte Carlo techniques for an improved understanding of polymerization processes
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Regioselective etherification of b-citronellene catalyzed by zeolite beta
Martin Purino
S Radhakrishnan
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
JA Martens
C3
Conference
2014
Structural, spectroscopic, and kinetic characterization of Pt-based bimetallic catalysts for alkane dehydrogenation
Vladimir Galvita
Evgeniy Redekop
Hilde Poelman
V. Bliznuk
Christophe Detavernier
Stephanie Saerens
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
Systematic Investigation of Alkyl Sulfonate Initiators for the Cationic Ring-Opening Polymerization of 2-Ethyl -2-Oxazoline
Mathias Glassner
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
R Hoogenboom
C3
Conference
2014
The pyrolysis of γ-valerolactone: experiments and initial modeling
Hans-Heinrich Carstensen
Ruben De Bruycker
J Simmie
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
C3
Conference
2014
Theoretical study of butanol dehydration on Zeolites
Mathew John
Konstantinos Alexopoulos
Marie-Françoise Reyniers
C3
Conference
2014
Thermodynamic study of benzene and hydrogen coadsorption on Pd(111)
Gonzalo Canduela Rodriguez
Maarten Sabbe
Marie-Françoise Reyniers
Jean-François Joly
Guy Marin
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2014
Understanding atomic layer deposition of aluminaover (100) hydroxylated gamma Al2O3 surface using DFT calculations
Aditya Shankar Sandupatla
E Levrau
Christophe Detavernier
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2014
2013
A kinetic Monte Carlo methodology for tracking monomer sequences in copolymers
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
A theoretical exploration of the potential of ICAR ATRP for one- and two-pot synthesis of well-defined diblock copolymers
Carolina Toloza Porras
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULAR REACTION ENGINEERING
2013
ARGET ATRP of butyl methacrylate: utilizing kinetic modeling to understand experimental trends
Kevin Payne
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
MF Cunningham
RA Hutchinson
Guy Marin
A1
Journal Article
in
MACROMOLECULES
2013
Ab initio based micro-kinetic modeling of benzene hydrogenation on Pd(111) as a function of hydrogen coverage
Gonzalo Canduela Rodriguez
Maarten Sabbe
Marie-Françoise Reyniers
J-F Joly
Guy Marin
C3
Conference
2013
Ab initio based microkinetic modelling of ethanol dehydration in zeolites
Cuong Manh Nguyen
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Ab initio characterization of the Cresol potential energy surface
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Ab initio study of alumina-atomic layer deposition process
Aditya Shankar Sandupatla
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Advanced kinetic Monte Carlo optimization of the synthesis of well-defined (co)polymers via atom transfer radical and nitroxide mediated polymerization
Paul Van Steenberge
Dagmar D'hooge
Carolina Toloza Porras
Stijn Fierens
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Assessing the influence of Alloy composition on coke formation in steam cracking reactors
Andres Muñoz Gandarillas
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Assessment of end-group functionality in atom transfer radical polymerization of N-isopropylacrylamide
Dagmar D'hooge
M Vachaudez
FJ Stadler
Marie-Françoise Reyniers
O Coulembier
C Bailly
P Dubois
Guy Marin
A1
Journal Article
in
EUROPEAN POLYMER JOURNAL
2013
Benzene adsorption on binary Pt3M alloys and surface alloys: a DFT study
Maarten Sabbe
Lucia Lain Amador
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2013
Bivariate kinetic Monte Carlo simulations to unravel the role of mid-chain radical migration in the synthesis of low dispersity acrylate macromonomers
Paul Van Steenberge
Dagmar D'hooge
J Vandenbergh
Marie-Françoise Reyniers
T Junkers
Guy Marin
C3
Conference
2013
Comparative kMC study of the sulfinyl and dithiocarbamate precursor routes toward highly regioregular MDMO-PPV
Paul Van Steenberge
Dagmar D'hooge
J Vandenbergh
Marie-Françoise Reyniers
PJ Adriaensens
DJM Vanderzande
Guy Marin
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2013
Computer aided optimization of conditions for fast and controlled ICAR ATRP of n-Butyl acrylate
Carolina Toloza Porras
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2013
Efficient stochastic calculation of the chemical composition chain length distribution accounting for possible diffusional limitations
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Evaluation of gradient quality of copoly(2-oxazoline)s
Dagmar D'hooge
Paul Van Steenberge
Bart Verbraeken
Marie-Françoise Reyniers
Richard Hoogenboom
Guy Marin
C3
Conference
2013
Group additive values for the gas phase standard enthalpy of formation, entropy and heat capacity of oxygenates
Paschalis Paraskevas
Maarten Sabbe
Marie-Françoise Reyniers
N Papayannakos
Guy Marin
A1
Journal Article
in
CHEMISTRY-A EUROPEAN JOURNAL
2013
Group additivity for the thermochemistry and H-abstraction kinetics of oxygenates
Paschalis Paraskevas
Maarten Sabbe
Marie-Françoise Reyniers
N Papayannakos
Guy Marin
C3
Conference
2013
Inverse dependencies on the polymerization rate in atom transfer radical polymerization of N-isopropylacrylamide in aqueous medium
M Vachaudez
Dagmar D'hooge
M Socka
J Libiszowski
O Coulembier
Marie-Françoise Reyniers
A Duda
Guy Marin
P Dubois
A1
Journal Article
in
REACTIVE & FUNCTIONAL POLYMERS
2013
Kinetic modeling explains inherent limitations of radical thiol-ene chemistry for macromolecular design
Pieter Derboven
Dagmar D'hooge
Milan M. Stamenović
Pieter Espeel
Guy Marin
Filip Du Prez
Marie-Françoise Reyniers
C3
Conference
2013
Kinetic modeling of ARGET ATRP of BMA/BA: the importance of slow initiation at low copper levels
Kevin Payne
MF cunningham
RA Hutchinson
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Kinetic modeling of hydrogen abstractions involving sulfur radicals
Aäron Vandeputte
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMPHYSCHEM
2013
Kinetic modeling of radical thiol-ene chemistry for macromolecular design: importance of side reactions and diffusional limitations
Pieter Derboven
Dagmar D'hooge
Milan M. Stamenović
Pieter Espeel
Guy Marin
Filip Du Prez
Marie-Françoise Reyniers
A1
Journal Article
in
MACROMOLECULES
2013
Kinetics of homolytic substitutions by hydrogen atoms at thiols and sulfides
Aäron Vandeputte
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMPHYSCHEM
2013
Macromol. React. Eng. 7/2013
Carolina Toloza Porras
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Other
2013
Macromol. React. Eng. 8/2013
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
Other
2013
Micro-kinetic modeling of benzene hydrogenation on Pd(111) as a function of hydrogen coverage
Gonzalo Canduela Rodriguez
Maarten Sabbe
Marie-Françoise Reyniers
J-F Joly
Guy Marin
C3
Conference
2013
Model based design of functional polymer materials by initiators for continuous activator regeneration atom transfer radical polymerization (ICAR ATRP)
Carolina Toloza Porras
Guy Marin
Marie-Françoise Reyniers
Dissertation
2013
Modeling of expandable polystyrene and polyacrylamide kinetics: model accuracy and intrinsic kinetic parameters
Carolina Toloza Porras
William Timothy Scott Jr
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Multi-scale modeling of benzene hydrogenation on Pd(111)
Gonzalo Canduela Rodriguez
Maarten Sabbe
J-F Joly
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Multivariate kinetic Monte Carlo simulation: the case of radical (co)polymerizations
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
One- and two-pot synthesis of well-defined diblock copolymers by ICAR ATRP: a theoretical exploration
Carolina Toloza Porras
Dagmar D'hooge
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Production of bio-ethene and propene: alternatives for bulk chemicals and polymers
Thomas Dijkmans
Steven Pyl
Marie-Françoise Reyniers
Ramin Abhari
Kevin Van Geem
Guy Marin
A1
Journal Article
in
GREEN CHEMISTRY
2013
Rate coefficient calculation rules for cyclic hydrocarbons: additions to double bonds (Plenary Lecture)
Hans-Heinrich Carstensen
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Reaction path and coverage effects analysis of benzene hydrogenation on Pd(111)
Gonzalo Canduela Rodriguez
Maarten Sabbe
J-F Joly
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Symmetry identification of molecules and reactions using group theory for automatic reaction network generation applications
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2013
Tackling the cross-termination challenge in radical polymerization through the RAFT-CLD-T technique
Pieter Derboven
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C Barner-Kowollik
C3
Conference
2013
The crucial role of diffusional limitations in controlled radical polymerization (feature article)
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULAR REACTION ENGINEERING
2013
The kinetic Monte Carlo simulated linear gradient quality as new copolymer property: the case of ATRP
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
Y Wang
M Zhong
D Konkolewicz
K Matyjaszewski
C3
Conference
2013
Tuning the gradient quality via controlled radical polymerization
Paul Van Steenberge
Dagmar D'hooge
Yu Wang
Mingjiang Zhong
Marie-Françoise Reyniers
Dominik Konkolewicz
Krzysztof Matyjaszewski
Guy Marin
C3
Conference
2013
2012
A comprehensive study of methyl decanoate pyrolysis
Steven Pyl
Kevin Van Geem
Philip Puimège
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
ENERGY
2012
Catalytic cracking of alkanes on FAU: single-event microkinetic modeling including acidity descriptors
Rhona Van Borm
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2012
Development of detailed mechanisms from first principle calculations with application to biomass chemistry
Hans-Heinrich Carstensen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Duurzame productie van lichte alkenen: van fossiele naar hernieuwbare grondstoffen
Steven Pyl
Marie-Françoise Reyniers
Guy Marin
Dissertation
2012
Experimental and modeling study of thermal decomposition of exo- tetrahydrodicyclopentadiene
Nick Vandewiele
Gregory R. Magoon
Kevin Van Geem
Marie-Françoise Reyniers
William H. Green
Guy Marin
C3
Conference
2012
Experimental and modeling study of thermal decomposition of exotetrahydrocyclopentadiene rodicyclopentadiene
Nick Vandewiele
Gregory Magoon
Kevin Van Geem
Marie-Françoise Reyniers
WH Green
Guy Marin
C3
Conference
2012
First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs
Maarten Sabbe
Marie-Françoise Reyniers
Karsten Reuter
A1
Journal Article
in
CATALYSIS SCIENCE & TECHNOLOGY
2012
Genesys: automatic generation of quantitative kinetic models
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Genesys: kinetic model construction using chemo-informatics
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2012
Hydrocarbon oxidation over metal oxide catalysts: an ab initio and operando X-ray absorption study
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
Dissertation
2012
Importance of targeted chain length and nitroxide partitioning in miniemulsion nitroxide mediated polymerization of styrene
Dagmar D'hooge
L Bentein
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Isobutene Protonation in H-FAU, H-MOR, H-ZSM-5, and H-ZSM-22
Cuong Manh Nguyen
Bart De Moor
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2012
Kinetic modeling as a tool to evaluate the importance of diffusional limitations and nitroxide partitioning in styrene nitroxide mediated miniemulsion polymerization
Dagmar D'hooge
L Bentein
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Kinetic modeling of ICAR ATRP
Dagmar D'hooge
Dominik konkolewicz
Marie-Françoise Reyniers
Guy Marin
Krzysztof Matyjaszewski
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2012
Kinetic modeling of miniemulsion nitroxide mediated polymerization of styrene: effect of particle diameter and nitroxide partitioning up to high conversion
Lien Bentein
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
POLYMER
2012
Kinetics of alpha hydrogen abstractions in thiols, sulfides and thiocarbonyl compounds
Aäron Vandeputte
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2012
Linear gradient quality of ATRP copolymers
Paul Van Steenberge
Dagmar D'hooge
Yu Wang
Mingjiang Zhong
Marie-Françoise Reyniers
Dominik Konkolewicz
Krzysztof Matyjaszewski
Guy Marin
A1
Journal Article
in
MACROMOLECULES
2012
Liquid-phase alkylation of benzene with octenes over Y zeolites: kinetic modeling including acidity descriptors
Iftemie Ionel Craciun
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2012
Microkinetics of the liquid-phase alkylation of benzene with octenes over Y zeolites: effect of acidity
Iftemie Ionel Craciun
Guy Marin
Marie-Françoise Reyniers
Dissertation
2012
Model based design of controlled radical polymerization
Dagmar D'hooge
L Bentein
D Konkolewicz
Marie-Françoise Reyniers
K Matyjaszewski
Guy Marin
C3
Conference
2012
Model based determination of linear gradient quality of ATRP copolymers
Paul Van Steenberge
Dagmar D'hooge
Y Wang
M Zhong
Marie-Françoise Reyniers
D Konkolewicz
K Matyjaszewski
Guy Marin
C3
Conference
2012
Optimization of ICAR ATRP of styrene at low catalyst ppm levels
Carolina Toloza Porras
Dagmar D'hooge
D Konkolewicz
K Matyjaszewski
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Production of bio-Olefins: tall-oils and waste greases to green chemicals and polymers
Kevin Van Geem
Steven Pyl
JM Anthonykutty
Marie-Françoise Reyniers
A Harlin
Guy Marin
C1
Conference
2012
Production of green olefins by steam cracking of hydrodeoxygenated tall oils
Steven Pyl
Kevin Van Geem
Thomas Dijkmans
JM Anthonykutty
Marie-Françoise Reyniers
A Harlin
Guy Marin
C3
Conference
2012
Propane and propene activation on V2O5 based catalysts: a combined ab initio: statistical thermodynamics study
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Reaction path analysis of propane selective oxidation over V2O5 and V2O5/TiO2
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2012
Reaction path analysis of propene selective oxidation over V2O5 and V2O5/TiO2
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Reaction path analysis of propene selective oxidation over V2O5 and V2O5/TiO2
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2012
Reactions of bioalcohols in H-FAU, H-MOR, H-ZSM-5 and H-ZSM-22
Cuong Manh Nguyen
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2012
Reduction of CuO-CeO2/Al2O3 and CeO2/Al2O3 catalysts studied by Operando XAS and XRD
Hilde Poelman
Matthias Filez
Konstantinos Alexopoulos
Vladimir Galvita
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2012
Stochastic modeling of radical polymerizations
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Dissertation
2012
The thermochemistry and decomposition mechanism of organosulfur and organophosphorus compounds
Aäron Vandeputte
Guy Marin
Marie-Françoise Reyniers
Dissertation
2012
Tuning polymer properties through competitive processes
D Konkolewicz
Dagmar D'hooge
K Sosnowski
R Szymanski
Marie-Françoise Reyniers
Guy Marin
K Matyjaszewski
Bookchapter
in
Progress in controlled radical polymerization : mechanisms and techniques (ACS Books)
2012
Wood-derived olefins by steam cracking of hydrodeoxygenated tall oils
Steven Pyl
Thomas Dijkmans
Jinto M Anthonykutty
Marie-Françoise Reyniers
Ali Harlin
Kevin Van Geem
Guy Marin
A1
Journal Article
in
BIORESOURCE TECHNOLOGY
2012
2011
Ab initio study of the adsorption of C1-C4 alcohols in H-ZSM-5 zeolite
Cuong Manh Nguyen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Ab initio study of the adsorption of hydrocarbons in zeolites : influence of molecular structure and framework topology
Bart De Moor
Guy Marin
Marie-Françoise Reyniers
Dissertation
2011
Adsorption of C2-C8 n-alkanes in zeolites
Bart De Moor
Marie-Françoise Reyniers
Oliver C Gobin
Johannes A Lercher
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2011
Aqueous controlled radical polymerization of acrylamides: macromolecular engineering using kinetic modeling
Magali Vachaudez
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
Olivier Coulembier
Philippe Dubois
C3
Conference
2011
Automatic reaction network generation using chemo-informatics
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Automatic reaction network using chemo-informatics
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Benzene hydrogenation on Pt3M bimetallic catalysts : a first principles study
Maarten Sabbe
Gonzalo Canduela Rodriguez
Lucia Lain Amador
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Benzene hydrogenation on Pt3M bimetallic catalysts: first principles based reactivity descriptors
Maarten Sabbe
Lucia Lain Amador
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Biomass to olefins: cracking of renewable naphtha
Steven Pyl
Carl Schietekat
Marie-Françoise Reyniers
Ramin Abhari
Guy Marin
Kevin Van Geem
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2011
Catalytic and molecular separation properties of Zeogrids and Zeotiles
Johan A Marten
Joris Thybaut
Joeri FM Denayer
Sreeprasanth Pulinthanathu Sree
Alexander Aerts
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Anita Buekenhoudt
Ivo Vankelecom
et al.
A1
Journal Article
in
CATALYSIS TODAY
2011
Effect of nanopore dimension and network topology on alkene sorption thermodynamics
Cuong Manh Nguyen
Bart De Moor
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2011
Evaluation of coupling efficiency for radical thiol-ene chemistry
Pieter Derboven
Dagmar D'hooge
Milan M. Stamenović
Pieter Espeel
Marie-Françoise Reyniers
Filip Du Prez
Guy Marin
C3
Conference
2011
First principle-based simulation of ethane steam cracking
Maarten Sabbe
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2011
Group additive modeling of biodiesel pyrolysis: methyldecanoate case study
Kevin Van Geem
Steven Pyl
Maarten Sabbe
Zhiming Zhou
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2011
Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase
Andrew Adamczyck
Marie-Françoise Reyniers
Guy Marin
Linda J Broadbelt
A1
Journal Article
in
THEORETICAL CHEMISTRY ACCOUNTS
2011
Kinetic Monte Carlo modeling of precursor route synthesis for conjugated polymers
Paul Van Steenberge
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Kinetic Monte Carlo modeling of the sulfinyl precursor route for poly(p-phenylene vinylene) synthesis
Paul Van Steenberge
Joke Vandenbergh
Dagmar D'hooge
Marie-Françoise Reyniers
Peter J Adriaensens
Laurence Lutsen
Dirk JM Vanderzande
Guy Marin
A1
Journal Article
in
MACROMOLECULES
2011
Kinetic modeling as a tool to understand and improve the nitroxide mediated polymerization of styrene
Lien Bentein
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULAR THEORY AND SIMULATIONS
2011
Kinetic study of the thermal rearrangement of cis- and trans-2-pinanol
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
2011
Modeling the composition of crude oil fractions using constrained homologous series
Steven Pyl
Zhen Hou
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
Michael T Klein
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2011
Modeling the gas-phase thermochemistry of organosulfur compounds
Aäron Vandeputte
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMISTRY-A EUROPEAN JOURNAL
2011
Modeling the pyrolysis of methyldecenoate and methyldecanoate
Kevin Van Geem
Steven Pyl
Nick Vandewiele
Maarten Sabbe
Zhiming Zhou
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Modeling the thermal rearrangements of bicyclic monoterpenes
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2011
Multi-scale modeling of benzene hydrogenation on Pd-based bimetallic catalysts
Gonzalo Canduela Rodriguez
Maarten Sabbe
Marie-Françoise Reyniers
Jean-François Joly
Guy Marin
C3
Conference
2011
Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropies
Bart De Moor
An Ghysels
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Guy Marin
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2011
Origin of the difference in branching in acrylates polymerization under controlled and free radical conditions: a computational study of competitive processes
Dominik Konkolewicz
Stanislaw Sosnowski
Dagmar D'hooge
Ryszard Szymanski
Marie-Françoise Reyniers
Guy Marin
Krzysztof Matyjaszewski
A1
Journal Article
in
MACROMOLECULES
2011
Periodic DFT-D study of the adsorption of C1-C4 alcohols in H-ZSM-5
Cuong Manh Nguyen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Physisorption and chemisorption of linear alkenes in zeolites: a combined QM-Pot(MP2//B3LYP:GULP)–statistical thermodynamics study
Cuong Manh Nguyen
Bart De Moor
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2011
Rapeseed oil methyl ester pyrolysis : on-line product analysis using comprehensive two-dimensionalgas chromatography
Steven Pyl
Carl Schietekat
Kevin Van Geem
Marie-Françoise Reyniers
Joeri Vercammen
Jan Beens
Guy Marin
A1
Journal Article
in
JOURNAL OF CHROMATOGRAPHY A
2011
Single-event microkinetics of hydrocarbon cracking on zeotype catalysts: effect of acidity and shape selectivity
Rhona Van Borm
Guy Marin
Marie-Françoise Reyniers
Dissertation
2011
Steam cracking of heavy oil fractions revisited
Carl Schietekat
Kevin Van Geem
Steven Pyl
Thomas Dijkmans
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2011
Steam cracking of renewable feedstock: ab initio based modeling of thermochemistry
Paschalis Paraskevas
Maarten Sabbe
Marie-Françoise Reyniers
N Papayannakos
Guy Marin
C3
Conference
2011
Theoretical study of the adsorption of the Butanol isomers in H-ZSM-5
Cuong Manh Nguyen
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2011
Thermal cracking of renewables for the sustainable production of chemicals and materials
Steven Pyl
Kevin Van Geem
Ramin Abhari
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
Using artificial neural networks to reconstruct the composition of complex feedstocks
Steven Pyl
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2011
2010
Analytics driving kinetics: thermochemical conversion of heavy petroleum fractions
Steven Pyl
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
Carl Schietekat
C3
Conference
2010
Assessment of control in atom transfer radical polymerization and nitroxide mediated polymerization of styrene: a comparative study
Evelyn Burrick
Lien Bentein
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Atom transfer radical polymerization of isobornyl acrylate: a kinetic modeling study
Dagmar D'hooge
Marie-Françoise Reyniers
Florian J Stadler
Bart Dervaux
Christian Bailly
Filip Du Prez
Guy Marin
A1
Journal Article
in
MACROMOLECULES
2010
Bond dissociation energies of organophosphorus compounds : an assessment of contemporary ab initio procedures
Karen Hemelsoet
Frederick Van Durme
Veronique Van Speybroeck
Marie-Françoise Reyniers
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2010
Catalytic cracking of 2,2,4-trimethylpentane on FAU, MFI, and bimodal porous materials: influence of acid properties and pore topology
Rhona Van Borm
Alexander Aerts
Marie-Françoise Reyniers
Johan A Martens
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2010
Catalytic cracking of methylcyclohexane on FAU, MFI, and bimodal porous materials: influence of acid properties and pore topology
Rhona Van Borm
Marie-Françoise Reyniers
Johan A Martens
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2010
Catalytic cracking on FAU, MFI and BIPOMs : effect of acidity and framework topology
Rhona Van Borm
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2010
Comprehensive 2D gas chromatography for thermochemical conversion processes of biomass
Kevin Van Geem
Steven Pyl
Jan Beens
Joeri Vercammen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Comprehensive 2D gas chromatography: the new standard for offline and online analysis of petrochemical samples
Kevin Van Geem
Steven Pyl
Marie-Françoise Reyniers
J Vercammen
J Beens
Guy Marin
C3
Conference
2010
First principles study of propane oxidation on supported and unsupported V2O5 catalysts: C-H bond activation and reaction path analysis
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
From biomass to ethylene: steam cracking of renewable naphtha
Kevin Van Geem
Steven Pyl
Carl Schietekat
Marie-Françoise Reyniers
Guy Marin
R Abhari
C3
Conference
2010
From biomass to ethylene: steam cracking of renewable naphtha
Kevin Van Geem
R Abhari
Steven Pyl
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors
Maarten Sabbe
Marie-Françoise Reyniers
Michel Waroquier
Guy Marin
A1
Journal Article
in
CHEMPHYSCHEM
2010
Initiator efficiency modeling for vinyl chloride suspension polymerization
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2010
Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis
Andrew Adamczyk
Marie-Françoise Reyniers
Guy Marin
Linda J Broadbelt
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2010
Kinetic modeling of atom transfer radical and nitroxide mediated polymerization
Dagmar D'hooge
Lien Bentein
Evelyn Burrick
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Kinetic modeling of atom transfer radical polymerization of (meth)acrylates
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
Dissertation
2010
Kinetic modeling of quinoid polymerizations as precursor routes toward PPV synthesis: influence of reaction conditions on polymer yield
Paul Van Steenberge
J Vandenbergh
DJM Vanderzande
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Kinetic modeling of the sulfinyl route toward the synthesis of conjugated polymers : competition between anionic and radical initiation
Paul Van Steenberge
Joke Vandenbergh
Dirk JM Vanderzande
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Kinetic modelling of the formation and polymerization of para-quinodimethane derivatives for the synthesis of poly(para-phenylene vinylene) precursors
Paul Van Steenberge
Marie-Françoise Reyniers
Guy Marin
Joke Vandenbergh
Dirk JM Vanderzande
C1
Conference
2010
Kinetic study of the thermal rearrangement of cis- and trans-2-pinanol
Nick Vandewiele
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Kinetics of substituted silylene addition and elimination in silicon nanocluster growth captured by group additivity
Andrew Adamczyk
Marie-Françoise Reyniers
Guy Marin
Linda J Broadbelt
A1
Journal Article
in
CHEMPHYSCHEM
2010
Modeling of the adsorption of C1-C4 alcohols in H-ZSM-5
Cuong Manh Nguyen
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions
Maarten Sabbe
Aäron Vandeputte
Marie-Françoise Reyniers
Michel Waroquier
Guy Marin
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2010
Molecular reconstruction of complex hydrocarbon mixtures: an application of principal component analysis
Steven Pyl
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
AICHE JOURNAL
2010
New modeling insights in SG1-mediated styrene polymerization
Lien Bentein
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
New routes to ethylene
Kevin Van Geem
R Abhari
Steven Pyl
Carl Schietekat
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
On-line analysis of complex hydrocarbon mixtures using comprehensive two-dimensional gas chromatography
Kevin Van Geem
Steven Pyl
Marie-Françoise Reyniers
Joeri Vercammen
Jan Beens
Guy Marin
A1
Journal Article
in
JOURNAL OF CHROMATOGRAPHY A
2010
Quick EXAFS measurements at SAMBA-SOLEIL:Cu K and Ce LIII edge
Hilde Poelman
Vladimir Galvita
Konstantinos Alexopoulos
Anil Kumar Mettu
S Crystol
V Briois
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Steam cracking of heavy oil fractions : harnessing on-line GCxGC
Steven Pyl
Carl Schietekat
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2010
Theoretical study of the adsorption of C1-C4 primary alcohols in H-ZSM-5
Cuong Manh Nguyen
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2010
Theoretical study of the effect of (001) TiO2 anatase support on V2O5
Konstantinos Alexopoulos
Pawel Hejduk
Malgorzata Witko
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2010
Theoretical study of the thermal decomposition of dimethyl disulfide
Aäron Vandeputte
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2010
Time-resolved operando X-ray absorption study of CuO-CeO2/Al2O3 catalyst during total oxidation of propane
Konstantinos Alexopoulos
Anil Kumar Mettu
Marie-Françoise Reyniers
Hilde Poelman
Sylvain Cristol
Veerle Balcaen
Philippe Heynderickx
Dirk Poelman
Guy Marin
A1
Journal Article
in
APPLIED CATALYSIS B-ENVIRONMENTAL
2010
2009
A theoretical study of the thermodynamics and kinetics of small organosulfur compounds
Aäron Vandeputte
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
THEORETICAL CHEMISTRY ACCOUNTS
2009
Ab initio based kinetic modeling for the simulation of industrial chemical processes
Maarten Sabbe
Guy Marin
Marie-Françoise Reyniers
Dissertation
2009
Ab initio modeling of the elementary reactions during thermal decomposition of polysulfides
Aäron Vandeputte
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2009
Ab initio study of in-situ nitroxide mediated polymerization : level of theory study and assessment of nitrone structure influences on thermodynamics and kinetics
Lien Bentein
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2009
Coke formation in the Transfer Line Exchanger (TLE) during steam cracking of hydrocarbons
Kevin Van Geem
Inge Dhuyvetter
Serge Prokopiev
Marie-Françoise Reyniers
Dominique Viennet
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2009
Effect of operating conditions and feedstock composition on run length of steam cracking coils
Kevin Van Geem
Marie-Françoise Reyniers
Steven Pyl
Guy Marin
Zhiming Zhou
C3
Conference
2009
Effect of process conditions and feedstock composition on run lengths of steam cracking coils
Kevin Van Geem
Zhiming Zhou
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2009
Exploring 1,2-Hydrogen shift in silicon nanoparticles with G3//B3LYP: application of transition state group additivity
Andrew J Adamczyk
Linda J Broadbelt
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2009
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 Adamczyk
Marie-Françoise Reyniers
Guy Marin
Linda J Broadbelt
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2009
First principles based simulations of steam cracking of ethane/propane and ethane/butane mixtures
Maarten Sabbe
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2009
Hydrogen abstraction from hydrocarbons: modeling of activation energies and pre-exponential factors
Maarten Sabbe
Aäron Vandeputte
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2009
Importance of radical transfer in precipitation polymerization: the case of vinyl chloride suspension polymerization
Joris Wieme
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULAR REACTION ENGINEERING
2009
In situ X-ray absorption study of CuO-CeO2/Al2O3 catalysts in the total oxidation of propane
Anil Kumar Mettu
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Hilde Poelman
S Cristol
Veerle Balcaen
Philippe Heynderickx
Dirk Poelman
Guy Marin
C3
Conference
2009
In situ X-ray absorption study of the total oxidation of propane over CuO-CeO2/Al2O3
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Hilde Poelman
S Cristol
Veerle Balcaen
Philippe Heynderickx
Dirk Poelman
Guy Marin
C3
Conference
2009
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 Silversmit
Hilde Poelman
Veerle Balcaen
Philippe Heynderickx
Maria Olea
Serge Nikitenko
Wim Bras
Philippe Smet
Dirk Poelman
Roger De Gryse
et al.
A1
Journal Article
in
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
2009
Investigation of reactive center substituent effects on the primary reaction classes during silicon hydride pyrolysis: novel methodology for Arrhenius parameter estimation
Andrew J Adamczyk
Marie-Françoise Reyniers
Guy Marin
Linda J Broadbelt
C3
Conference
2009
Linking polymer properties to process conditions for vinyl chloride suspension polymerization processes
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2009
Methodology for kinetic modeling of atom transfer radical polymerization
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULAR REACTION ENGINEERING
2009
Microkinetic modeling of structural properties of poly(vinyl chloride)
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
MACROMOLECULES
2009
Multi-scale modeling and design of heterogeneously catalyzed reactions
Joris Thybaut
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2009
New modeling strategy for atom transfer radical polymerization
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2009
Physisorption and chemisorption of alkanes and alkenes in H-FAU: a combined ab initio – statistical thermodynamics study
Bart De Moor
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2009
Resonance stabilization during the group additive modeling of the kinetics of hydrogen abstraction from hydrocarbons
Maarten Sabbe
Aäron Vandeputte
Marie-Françoise Reyniers
Michel Waroquier
Guy Marin
C1
Conference
2009
Single event microkinetics of (cyclo)alkane cracking on Y and ZSM-5 zeolites
Rhona Van Borm
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2009
Thermodynamics and kinetics of in situ nitroxide mediated polymerization
Lien Bentein
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2009
2008
A joined theoretical-experimental investigation on the 1H and 13C NMR signatures of defects in poly(vinyl chloride)
Philippe d’Antuono
Edith Botek
Benoit Champagne
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
Peter G Adriaensens
Jan M Gelan
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2008
Ab initio modeling of propene oxidation on V2O5 catalysts
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Ab initio modelling of steam cracking
Maarten Sabbe
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Ab initio study of alkene activation on vanadium oxide based catalysts
Konstantinos Alexopoulos
Marie-Françoise Reyniers
Hilde Poelman
Guy Marin
C3
Conference
2008
Alkylation of benzene with alkenes in acidic zeolites: an ab initio study
Bart De Moor
Lien Bentein
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Carbon-centered radical addition and beta-scission reactions: Modeling of activation energies and pre-exponential factors
Maarten Sabbe
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Guy Marin
A1
Journal Article
in
CHEMPHYSCHEM
2008
Catalytic cracking of (cyclo)alkanes on FAU and MFI zeolites
Rhona Van Borm
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Challenges of modeling steam cracking of heavy feedstocks
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE
2008
First Principles Based Group Additive Values for the Gas Phase Standard Entropy and Heat Capacity of Hydrocarbons and Hydrocarbon Radicals
Maarten Sabbe
F DE VLEESCHOUWER
Marie-Françoise Reyniers
Michel Waroquier
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2008
First principles based micro kinetic modeling of zeolite catalyzed hydrocarbon conversion reactions
Marie-Françoise Reyniers
C3
Conference
2008
First principles based simulations of of steam cracking of light hydrocarbons
Kevin Van Geem
Maarten Sabbe
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Influence of silicon and silicon/sulfur-containing additives on coke formation during steam cracking of hydrocarbons
Jidong Wang
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2008
Kinetic modeling of atom transfer radical polymerization: linking control to reaction rates
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Kinetic modeling of the atom transfer radical polymerization of methyl methacrylate: conditions for control
Dagmar D'hooge
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Kinetics as a tool for catalyst design
Marie-Françoise Reyniers
Joris Thybaut
Guy Marin
C3
Conference
2008
Physisorption and chemisorption of alkenes: ab initio study of the influence of alkene structure and zeolite topology
Bart De Moor
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Physisorption and chemisorption of hydrocarbons in H-FAU using QM-Pot(MP2//B3LYP) calculations
Bart De Moor
Marie-Françoise Reyniers
M SIERKA
J SAUER
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2008
Suspension polymerization reactions and reactors
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
Taking optimal advantage of feedstock flexibility with Coilsim1D
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2008
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 Adamczyk
LJ Broadbelt
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2008
2007
A joined theoretical-experimental investigation on the H-1 and C-13 NMR chemical shifts of chloro-alkenes
Philippe d'Antuono
Edith Botek
Benoit Champagne
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
Peter J Adriaensens
Jan M Gelan
A1
Journal Article
in
CHEMICAL PHYSICS LETTERS
2007
Ab initio study of the mechanism of the thermal decomposition of acyclic polysulfides
Aäron Vandeputte
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2007
Ab initio thermochemistry and kinetics for carbon-centered radical addition and beta-scission reactions
Maarten Sabbe
Aäron Vandeputte
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2007
Challanges of Modeling Steam cracking of heavy feedstocks
Kevin Van Geem
Guy Marin
Marie-Françoise Reyniers
C1
Conference
2007
Development of a fundamental kinetic model for the simulation of pilot- and industrial scale batch suspension polymerization reactors
Joris Wieme
Marie-Françoise Reyniers
Geraldine Heynderickx
Guy Marin
C3
Conference
2007
Dimensional analysis for scaling up and down steam cracking coils
Kevin Van Geem
Robert Zajdlik
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2007
Effects of acid properties of Y zeolites on the liquid-phase alkylation of benzene with 1-octene: a reaction path analysis
Iftemie Ionel Craciun
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
2007
Influence of dimethyl disulfide on coke formation during steam cracking of hydrocarbons
Jidong Wang
Marie-Françoise Reyniers
Guy B. Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2007
Microkinetic modeling of structural properties of poly(vinyl chloride)
Joris Wieme
Guy Marin
Marie-Françoise Reyniers
Dissertation
2007
Modelling the formation of structural defects during the suspension polymerization of vinyl chloride
Joris Wieme
Guy Marin
Marie-Françoise Reyniers
A1
Journal Article
in
CHEMICAL ENGINEERING SCIENCE
2007
Molecular reconstruction of naphtha steam cracking feedstocks based on commercial indices
Kevin Van Geem
Damien Hudebine
Marie-Françoise Reyniers
Francois Wahl
Jan J. Verstraete
Guy Marin
A1
Journal Article
in
COMPUTERS & CHEMICAL ENGINEERING
2007
Reconstruction of the molecular composition of complex feedstocks for petrochemical production processes
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2007
Single event microkinetics of alkane cracking on FAU and MFI zeolites
Rhona Van Borm
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2007
Standard enthalpy of formation, entropy and heat capacity of hydrocarbons and hydrocarbon radicals: first principles group additive values
Maarten Sabbe
F De Vleeschouwer
Veronique Van Speybroeck
Michel Waroquier
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2007
Theoretical study of the thermodynamics and kinetics of hydrogen abstractions from hydrocarbons
Aäron Vandeputte
Maarten Sabbe
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2007
2006
Ab initio group contribution method for activation energies of hydrogen abstraction reactions
Mark Saeys
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Guy Marin
A1
Journal Article
in
CHEMPHYSCHEM
2006
Ab initio rate coefficients for hydrogen abstraction reactions
Maarten Sabbe
Aäron Vandeputte
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Guy Marin
C3
Conference
2006
Ab initio study of free-radical polymerization: Polyethylene propagation kinetics
Karen Van Cauter
Veronique Van Speybroeck
Peter Vansteenkiste
Marie-Françoise Reyniers
Michel Waroquier
A1
Journal Article
in
CHEMPHYSCHEM
2006
Adsorption of cyclohexadiene, cyclohexene and cyclohexane on Pt(111)
Mark Saeys
Marie-Françoise Reyniers
M. Neurock
Guy Marin
A1
Journal Article
in
SURFACE SCIENCE
2006
Automatic reaction network generation using RMG for steam cracking of n-hexane
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
J SONG
WH GREEN
DM MATHEU
A1
Journal Article
in
AICHE JOURNAL
2006
Chemisorption of alkenes in H-FAU: description of the alkoxide bond using a combined QM/MM approach
Bart De Moor
Marie-Françoise Reyniers
Marek Sierka
Joachim Sauer
Guy Marin
C3
Conference
2006
Dimensional Analysis as s tool for scaling-up steam cracking coils
Kevin Van Geem
Guy Marin
Marie-Françoise Reyniers
R ZAJDLIK
C1
Conference
2006
Kinetic modeling of the isomerization and Alkylation reaction paths involved in the synthesis of linear Alkylbenzenes over Y Zeolites
Iftemie Ionel Craciun
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2006
Kinetics and reactor modelling of MgO-catalysed transesterification for sustainable development
Tim Dossin
Guy Marin
Marie-Françoise Reyniers
Dissertation
2006
Kinetics of heterogeneously MgO-catalyzed transesterification
Tanguy Dossin
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
APPLIED CATALYSIS B-ENVIRONMENTAL
2006
Modeling the formation of structural defects during the suspension polymerization of vinyl chloride
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2006
Physisorption of C2-C8 alkenes in H-FAU and H-ZSM-5
Bart De Moor
E Kint
Marie-Françoise Reyniers
Veronique Van Speybroeck
Michel Waroquier
Guy Marin
C3
Conference
2006
Simulation of heterogeneously MgO-catalyzed transesterification for fine-chemical and biodiesel industrial production
Tanguy Dossin
Marie-Françoise Reyniers
RJ BERGER
Guy Marin
A1
Journal Article
in
APPLIED CATALYSIS B-ENVIRONMENTAL
2006
The influence of additives on the coke formation during steam cracking
Jidong Wang
Guy Marin
Marie-Françoise Reyniers
Dissertation
2006
The influence of phosphorus containing compounds on steam cracking of n-hexane
JD WANG
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
2006
2005
Ab initio reaction path analysis of benzene hydrogenation to cyclohexane on Pt(111)
M SAEYS
Marie-Françoise Reyniers
M NEUROCK
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2005
Ab initio reaction path analysis of catalytic reactions: benzene hydrogenation and cyclohexane dehydrogenation
M Saeys
Marie-Françoise Reyniers
M Neurock
Guy Marin
C3
Conference
2005
Comparative study of kinetics and reactivity indices of free radical polymerization reactions
Karen Van Cauter
Karen Hemelsoet
Veronique Van Speybroeck
Marie-Françoise Reyniers
Michel Waroquier
A1
Journal Article
in
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2005
Density functional theory investigation of the stereochemistry effects on H-1 and C-13 NMR chemical shifts of poly(vinyl chloride) oligomers
P D'ANTUONO
E BOTEK
B CHAMPAGNE
Joris Wieme
Marie-Françoise Reyniers
Guy Marin
PJ ADRIAENSENS
JM GELAN
A1
Journal Article
in
CHEMICAL PHYSICS LETTERS
2005
First principles based kinetic modeling of industrial catalytic reactions: hydrogenation of mono aromatic compounds
M Saeys
Joris Thybaut
Marie-Françoise Reyniers
M Neurock
Guy Marin
C3
Conference
2005
First-principles based kinetic model for the hydrogenation of toluene
Mark Saeys
Marie-Françoise Reyniers
Joris Thybaut
Matthew Neurock
Guy Marin
A1
Journal Article
in
JOURNAL OF CATALYSIS
2005
Group additive values for the gas phase standard enthalpy of formation of hydrocarbons and hydrocarbon radicals
Maarten Sabbe
Mark Saeys
Marie-Françoise Reyniers
Guy Marin
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2005
Heterogeneously MgO-catalysed transesterification for fine chemical and biodiesel industrial production
T Dossin
R Berder
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2005
Heterogeneously MgO-catalyzed transesterification for fine-chemical and biodiesel industrial production
T Dossin
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2005
Kinetic modeling of the vinyl chloride suspension polymerization
J Wieme
Marie-Françoise Reyniers
Guy Marin
C3
Conference
2005
Kinetic modeling of vinyl chloride suspension polymerization taking into account polymer microstructure
Marie-Françoise Reyniers
J Wieme
Guy Marin
C3
Conference
2005
Microkinetic model for the alkylation of benzene with octenes over Y zeolites
Iftemie Ionel Craciun
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2005
Microkinetic model for the alkylation of benzene with octenes over Y zeolites
Iftemie Ionel Craciun
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2005
The structure of supported and unsupported vanadium oxide under calcination, reduction and oxidation determined with XAS
Geert Silversmit
JA VAN BOKHOVEN
Hilde Poelman
AMJ VAN DER EERDEN
Guy Marin
Marie-Françoise Reyniers
Roger De Gryse
A1
Journal Article
in
APPLIED CATALYSIS A-GENERAL
2005
Two severity indices for scale-up of steam cracking coils
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2005
2004
Ab initio group contribution method for activation energies for radical additions
Mark Saeys
Marie-Françoise Reyniers
Guy Marin
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
AICHE JOURNAL
2004
Base-Catalysed Transesterification of Ethyl Acetate with Methanol - a Kinetic Study
Tanguy Dossin
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2004
First Principles based Reaction Network for Steam Cracking
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2004
First principles based kinetic model for the hydorgenation of aromatic compounds
Mark Saeys
Marie-Françoise Reyniers
Joris Thybaut
M NEUROCK
Guy Marin
C1
Conference
2004
Modeling elementary reactions in coke formation from first principles
Veronique Van Speybroeck
Marie-Françoise Reyniers
Guy Marin
Michel Waroquier
C3
Conference
2004
Modeling elementary reactions in coke formation from first principles
Veronique Van Speybroeck
Marie-Françoise Reyniers
Guy Marin
Michel Waroquier
C1
Conference
2004
Reaction path analysis as a tool for scaling up steam cracking coils
Kevin Van Geem
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2004
Solid acid catalysts for alkylation of aromatics
Iftemie Ionel Craciun
Guy Marin
Marie-Françoise Reyniers
C1
Conference
2004
The acid catalyzed alkylation of benzene with 1-octene on Y zeolites - a kinetic study
Iftemie Ionel Craciun
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2004
The alkylation of benzene with 1-octene on Y-zeolites - a kinetic study
Iftemie Ionel Craciun
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2004
Transalkylation of methylamines: Kinetics and industrial simulation.
Nele Staelens
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2004
2003
Ab initio calculations for hydrocarbons : enthalpy of formation, transition state geometry, and activation energy for radical reactions
Mark Saeys
Marie-Françoise Reyniers
Guy Marin
Veronique Van Speybroeck
Michel Waroquier
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2003
Density functional theory analysis of benzene (De)hydrogenation on Pt(111): Addition and removal of the first two H-atoms
Mark Saeys
Marie-Françoise Reyniers
M NEUROCK
Guy Marin
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2003
Experimental study of steam cracking in a pilot plant
R ZAJDLIK
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2003
Methods for scale-up of steam cracking coils
R ZAJDLIK
Marie-Françoise Reyniers
Kevin Van Geem
Guy Marin
C1
Conference
2003
Steam cracking of hydrocarbons in a pilot plant
R ZAJDLÍK
Marie-Françoise Reyniers
Guy Marin
C1
Conference
2003
Steam cracking: from molecule to furnace
Kevin Van Geem
Mark Saeys
Marie-Françoise Reyniers
Geraldine Heynderickx
Guy Marin
C1
Conference
2003
Steam cracking: from molecule to furnace
Kevin Van Geem
Mark Saeys
Marie-Françoise Reyniers
Geraldine Heynderickx
Guy Marin
C1
Conference
2003
THE STRUCTURE OF A VOx/TIO2(ANATASE) POWDER CATALYST UNDER REDUCTION AND OXIDATION AT 623 K
Geert Silversmit
Jeroen Van Bokhoven
Hilde Poelman
Ad Van der Eerden
Marie-Françoise Reyniers
Guy Marin
Roger De Gryse
C3
Conference
2003
2002
Density functional study of benzene adsorption on Pt(111).
Mark Saeys
Marie-Françoise Reyniers
Guy Marin
M NEUROCK
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY B
2002
Density functional study of the adsorption of 1,4-cyclohexadiene on Pt(111): origin of the C-H stretch red shift.
Mark Saeys
Marie-Françoise Reyniers
Guy Marin
M NEUROCK
A1
Journal Article
in
SURFACE SCIENCE
2002
Langmuir-Hinshelwood-Hougen-Watson rate equations for the transalkylation of methylamines.
Nele Staelens
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
CHEMICAL ENGINEERING JOURNAL
2002
Reply to comments on "kinetic modeling of coke formation during steam cracking".
Marie-Françoise Reyniers
Sandra Wauters
Guy Marin
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2002
The kinetics of cyclization reactions on polyaromatics from first principles.
Veronique Van Speybroeck
Marie-Françoise Reyniers
Guy Marin
Michel Waroquier
A1
Journal Article
in
CHEMPHYSCHEM
2002
TiO2 films prepared by DC magnetron sputtering from ceramic targets.
H TOMASZEWSKI
Hilde Poelman
Diederik Depla
Dirk Poelman
Roger De Gryse
Lucien Fiermans
Marie-Françoise Reyniers
Geraldine Heynderickx
Guy Marin
A1
Journal Article
in
VACUUM
2002
V2O5 thin films deposited by means of d.c. magnetron sputtering from ceramic V2O3 targets.
Hilde Poelman
H TOMASZEWSKI
Dirk Poelman
Lucien Fiermans
Roger De Gryse
Marie-Françoise Reyniers
Guy Marin
A1
Journal Article
in
SURFACE AND INTERFACE ANALYSIS
2002
2001
The influence of dimethyl disulfide on naphtha steam cracking
Inge Dhuyvetter
Marie-Françoise Reyniers
Gilbert Froment
Guy Marin
D Viennet
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
2001
2000
Influence of coke formation on the conversion of hydrocarbons I. Alkanes on a USY-zeolite.
Marie-Françoise Reyniers
Hans Beirnaert
Guy Marin
A1
Journal Article
in
APPLIED CATALYSIS A-GENERAL
2000
Influence of coke formation on the conversion of hydrocarbons II. i-butene on HY-zeolites.
Marie-Françoise Reyniers
Y TANG
Guy Marin
A1
Journal Article
in
APPLIED CATALYSIS A-GENERAL
2000
1999
Anticoking coatings for high temperature petrochemical reactors.
P BROUTIN
F ROPITAL
Marie-Françoise Reyniers
Gilbert Froment
A1
Journal Article
in
OIL & GAS SCIENCE AND TECHNOLOGY-REVUE DE L INSTITUT FRANCAIS DU PETROLE
1999
1995
Influence of metal-surface and sulfur addition on coke deposition in the thermal-cracking of hydrocarbons.
Marie-Françoise Reyniers
Gilbert Froment
A1
Journal Article
in
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
1995
1987
Experiences in Z-deprotection : simple preparations of Z-His and diz-His
Marc Anteunis
Chr. Becu
F. Becu
Marie-Françoise Reyniers
A1
Journal Article
in
BULLETIN DES SOCIETES CHIMIQUES BELGES
1987