Research Explorer

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Researcher

Ruben Van de Vijver

Publications & Research Data

Awards & Distinctions

75 Results

2024

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

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

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling the thermochemistry of nitrogen-containing compounds via group additivity

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

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

O2-dependence of reactions of 1,2-dimethoxyethanyl and 1,2-dimethoxyethanylperoxy isomers

Nicholas S. DeweyKevin De RasRuben Van de VijverSamuel W. HartnessAnnabelle W. HillJoris ThybautKevin Van GeemLeonid ShepsBrandon Rotavera

A1 Journal Article in COMBUSTION AND FLAME

Steam cracking of sulfur containing compounds : a fundamental modelling study

Jeroen AerssensCato PappijnRuben Van de VijverKevin Van Geem

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

2023

Experimental and kinetic study on the gas-phase pyrolysis of syringol

Liang LiRuben Van de VijverKevin Van Geem

A1 Journal Article in ENERGY & FUELS

Fast pyrolysis from lignin model compounds to real biomass

Liang LiKevin Van GeemRuben Van de Vijver

Kinetics modelling and mechanistic analysis of hydrogenolysis of bisphenol A based polycarbonate over NiO supported on Mg(Al)O

Lingfeng LiRuben Van de VijverHari Sekhar MittaYonggang ChengElias FeghaliKarolien VanbroekhovenKevin Van Geem

Maximizing the production of high-value chemicals via fast-pyrolysis of lignin-engineered poplars : impact of cinnamyl alcohol dehydrogenase 1 (hpCAD) downregulation

Liang LiFlorence VermeireRuben Van de VijverMarlies WoutersWout BoerjanKevin Van Geem

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Prospects of complete mineralization of per- and polyfluoroalkyl substances by thermal destruction methods

Lucas Dos Santos VargetteNathalie De CoenselKevin De RasRuben Van de VijverStefan VoorspoelsKevin Van Geem

A1 Journal Article in CURRENT OPINION IN CHEMICAL ENGINEERING

2022

A detailed experimental and kinetic modeling study on pyrolysis and oxidation of oxymethylene ether-2 (OME-2)

Kevin De RasMarvin KusenbergGuillaume VanhoveYann FenardAndreas EschenbacherRobin John VargheseJeroen AerssensRuben Van de VijverLuc-Sy TranJoris Thybaut et al.

A1 Journal Article in COMBUSTION AND FLAME

Combined catalytic and pyrolytic coking model for steam cracking of hydrocarbons

Jia ZhangRuben Van de VijverIsmaël AmghizarMarie-Françoise ReyniersKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Detailed kinetic modeling for the pyrolysis of a jet a surrogate

Florence VermeireSyam Ukkandath AravindakshanAgnes JocherMengjie LiuTe-Chun ChuRyan E. HawtofRuben Van de VijverMatthew B. PrendergastKevin Van GeemWilliam H. Green

A1 Journal Article in ENERGY & FUELS

Experimental and kinetic modeling study on the gas-phase pyrolysis of hydroxycinnamaldehyde model compounds

Liang LiRuben Van de VijverAndreas EschenbacherFlorence VermeireKevin Van Geem

A1 Journal Article in ENERGY & FUELS

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

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

A2 Journal Article in ACS ENGINEERING AU

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

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

Review on the pyrolysis products and thermal decomposition mechanisms of polyurethanes

Jogchum OenemaHaoran LiuNathalie De CoenselAndreas EschenbacherRuben Van de VijverJunjie WengLiang LiChangjian WangKevin Van Geem

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

The merit of pressure dependent kinetic modelling in steam cracking

Jeroen AerssensFlorence VermeireSyam Ukkandath AravindakshanRuben Van de VijverKevin Van Geem

A1 Journal Article in FARADAY DISCUSSIONS

2021

An experimental and modeling study on low- and high-temperature pyrolysis and oxidation of oxymethylene ethers as a sustainable alternative fuel

Kevin De RasJeroen AerssensMarvin KusenbergRuben Van de VijverAndreas EschenbacherRobin John VargheseLuc Sy TranGuillaume VanhoveJoris ThybautKevin Van Geem

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

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

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Building a holistic kinetic Monte Carlo modeling framework for achieving carbon circularity in vinyl copolymers

Onur DoguPieter PlehiersRuben Van de VijverDagmar D'hoogePaul Van SteenbergeKevin Van Geem

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

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

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

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

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

Distribution changes during thermal degradation of poly(styrene peroxide) by pairing tree-based kinetic Monte Carlo and artificial intelligence tools

Onur DoguPieter PlehiersRuben Van de VijverDagmar D'hoogePaul Van SteenbergeKevin Van Geem

Distribution changes during thermal degradation of poly(styrene peroxide) by pairing tree-based kinetic Monte Carlo and artificial intelligence tools

Onur DoguPieter PlehiersRuben Van de VijverDagmar D'hoogePaul Van SteenbergeKevin Van Geem

A1 Journal Article in INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Learning molecular representations for thermochemistry prediction of cyclic hydrocarbons and oxygenates

Maarten DobbelaerePieter PlehiersRuben Van de VijverChristian StevensKevin Van Geem

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY A

Machine learning in chemical engineering : strengths, weaknesses, opportunities, and threats

Maarten DobbelaerePieter PlehiersRuben Van de VijverChristian StevensKevin Van Geem

A1 Journal Article in ENGINEERING

On the primary thermal decomposition pathways of hydroxycinnamic acids

Sri Bala GorugantuRuben Van de VijverLiang LiOnur DoguGuy MarinKevin Van Geem

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

Primary thermal decomposition pathways of hydroxycinnamaldehydes

Liang LiRuben Van de VijverAndreas EschenbacherOnur DoguKevin Van Geem

A1 Journal Article in ENERGY & FUELS

The chemistry of chemical recycling of solid plastic waste via pyrolysis and gasification : state-of-the-art, challenges, and future directions

Onur DoguMatteo PelucchiRuben Van de VijverPaul Van SteenbergeDagmar D'hoogeAlberto CuociMarco MehlAlessio FrassoldatiTiziano FaravelliKevin Van Geem

A1 Journal Article in PROGRESS IN ENERGY AND COMBUSTION SCIENCE

The influence of detailed stereochemistry during kinetic model construction : a case study for the oxidation of cyclohexane

Kevin De RasMichiel Van CauwelaertJeroen AerssensRuben Van de VijverJoris ThybautKevin Van Geem

2020

A combined modeling and experimental study on low- and high-temperature oxidation chemistry of OME3 as novel fuel additive

Kevin De RasRuben Van de VijverHwasup SongLuc-Sy TranMarvin KusenbergThomas PaganetJoris ThybautGuillaume VanhoveKevin Van Geem

Detailed experimental and kinetic modeling study of 3-carene pyrolysis

Jia ZhangFlorence VermeireRuben Van de VijverOlivier HerbinetFrédérique Battin-LeclercMarie-Françoise ReyniersKevin Van Geem

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

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

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

A1 Journal Article in FUEL

Fast pyrolysis of renewable feedstocks for the production of green chemicals

Sri Bala GorugantuKevin Van GeemRuben Van de Vijver

Kinetic Monte Carlo simulations of poly(styrene peroxide) chemical recycling

Onur DoguPieter PlehiersRuben Van de VijverPaul Van SteenbergeDagmar D'hoogeKevin Van Geem

Pyrolysis study of cinnamaldehyde model compound with analytical Py-GC×GC-FID/TOF-MS

Liang LiRuben Van de VijverSri Bala GorugantuJunjie WengKevin Van Geem

A2 Journal Article in CHEMICAL ENGINEERING TRANSACTIONS

Unravelling the combustion and pyrolysis chemistry of oxymethylene ethers as potential e-fuel

Kevin De RasRuben Van de VijverMarvin KusenbergHwasup SongLuc-Sy TranThomas PaganetJoris ThybautGuillaume VanhoveKevin Van Geem

2019

An artificial neural network-based approach to thermodynamic property estimation

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

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

Kevin De RasRuben Van de VijverFlorence VermeireGuy MarinKevin Van Geem

Automatic rate coefficient calculations with Genesys and KinBot

Ruben Van de Vijver

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

Kevin De RasRuben Van de VijverVladimir GalvitaGuy MarinKevin Van Geem

A1 Journal Article in CURRENT OPINION IN CHEMICAL ENGINEERING

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

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

Combinatorial reaction searches on the PES using KinBot

Ruben Van de VijverJudit ZadorGuy MarinKevin Van Geem

Detailed experimental and kinetic modeling study of 3-carene pyrolysis

Jia ZhangFlorence VermeireRuben Van de VijverOlivier HerbinetFrédérique Battin-LeclercMarie-Françoise ReyniersKevin Van Geem

Genesys : building kinetic models from first principles

Ruben Van de VijverFlorence VermeireGuy MarinKevin Van Geem

Group additive kinetic modeling for the pyrolysis of cyclic species

Florence VermeireRuben Van de VijverGuy MarinKevin Van Geem

Ketohydroperoxide reactions uncovered by KinBot

Ruben Van de VijverJudit ZadorGuy MarinKevin Van Geem

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

Ruben Van de VijverKevin Van GeemGuy Marin

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

The need for pressure dependent kinetics in steam cracking models

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

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

Laurien VandewalleRuben Van de VijverKevin Van GeemGuy Marin

A1 Journal Article in CHEMICAL ENGINEERING SCIENCE

2018

Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions

Ruben Van de VijverMaarten SabbeMarie-Françoise ReyniersKevin Van GeemGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Cato PappijnRuben Van de VijverMarie-Françoise ReyniersGuy MarinKevin Van Geem

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

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

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

Ruben Van de VijverKevin Van GeemGuy MarinJudita Zador

A1 Journal Article in COMBUSTION AND FLAME

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

Ruben Van de VijverKevin Van GeemGuy Marin

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

Marko DjokicKevin Van GeemRuben Van de VijverCato PappijnNatália OlahováGuy Marin

Thermal decomposition of sulfur compounds: kinetic modeling and experimental validation

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

2017

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

Ruben Van de VijverKevin Van GeemGuy Marin

Automatic kinetic model generation : a combination of the rule-based and rate-based termination criteria

Ruben Van de VijverFlorence VermeireKevin Van Geem

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

Ruben Van de VijverKevin Van GeemGuy Marin

Group additive modeling of cyclopentane pyrolysis

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

A1 Journal Article in JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Kinetics of the thermal decomposition of sulfur compounds

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

Pentanol : a promising fuel and petrochemical building block

Kevin Van GeemCato PappijnRuben Van de Vijver

2016

Challenges and opportunities for molecule-based management of chemical processes

Ruben Van de VijverBrigitte DevochtKevin Van GeemJoris ThybautGuy Marin

A1 Journal Article in CURRENT OPINION IN CHEMICAL ENGINEERING

First Principles Based Microkinetic Modelling of Methyl Butanoate Pyrolysis

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

Implementation of stereochemistry in automatic kinetic model generation

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

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

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

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

A1 Journal Article in CHEMICAL ENGINEERING & TECHNOLOGY

2015

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

Muralikrishna KhandavilliKevin Van GeemRuben Van de VijverGuy Marin

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

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

A1 Journal Article in INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Implementation of stereochemistry in automatic kinetic model generation

Nick VandewieleRuben Van de VijverKevin Van GeemMarie-Françoise ReyniersGuy Marin

Rule-based ab initio kinetic model for alkyl sulfide pyrolysis

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

A1 Journal Article in CHEMICAL ENGINEERING JOURNAL

Symmetry calculation for molecules and transition states

Nick VandewieleRuben Van de VijverKevin Van GeemMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF COMPUTATIONAL CHEMISTRY

Understanding the decomposition of sulfur compounds during steam cracking

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

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

Natália OlahováMarko DjokicRuben Van de VijverKevin Van GeemGuy Marin

2014

Rule based ab initio kinetic model for alkyl sulfide pyrolysis

Ruben Van de VijverNick VandewieleAäron VandeputteKevin Van GeemWH GreenGuy Marin