Ghent University Academic Bibliography

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Regression and application of kinetic group additivity theory for nitrogenated hydrocarbons

Jeroen Aerssens (UGent) , Ruben Van de Vijver (UGent) and Kevin Van Geem (UGent)

(2024) 2024 AIChE Annual Meeting, Abstracts.
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- A1
- open access
Steam cracking of sulfur containing compounds : a fundamental modelling study

Jeroen Aerssens (UGent) , Cato Pappijn, Ruben Van de Vijver (UGent) and Kevin Van Geem (UGent)

(2024) CHEMICAL ENGINEERING JOURNAL. 485.
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O2-dependence of reactions of 1,2-dimethoxyethanyl and 1,2-dimethoxyethanylperoxy isomers

Nicholas S. Dewey, Kevin De Ras (UGent) , Ruben Van de Vijver (UGent) , Samuel W. Hartness, Annabelle W. Hill, Joris Thybaut (UGent) , Kevin Van Geem (UGent) , Leonid Sheps and Brandon Rotavera

(2024) COMBUSTION AND FLAME. 269.
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Modeling the kinetics of hydrogen abstraction reactions in nitrogen-containing compounds via group additivity

Cato Pappijn, Ruben Van de Vijver (UGent) , Maarten Sabbe (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2024) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 26(27). p.18763-18775
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Modeling the thermochemistry of nitrogen-containing compounds via group additivity

Cato Pappijn, Ruben Van de Vijver (UGent) , Marie-Françoise Reyniers (UGent) , Maarten Sabbe (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2024) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 26(27). p.19021-19034
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Maximizing the production of high-value chemicals via fast-pyrolysis of lignin-engineered poplars : impact of cinnamyl alcohol dehydrogenase 1 (hpCAD) downregulation

Liang Li, Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Marlies Wouters, Wout Boerjan (UGent) and Kevin Van Geem (UGent)

(2023) JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS. 171.
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- Conference Paper
- C3
Which reaction pathways govern the decomposition of sulfur-containing compounds during pyrolysis of fossil and waste resources

Jeroen Aerssens (UGent) , Cato Pappijn, Ruben Van de Vijver (UGent) , Marie-Françoise Reyniers (UGent) and Kevin Van Geem (UGent)

(2023) ISCRE 27 : the 27th International Symposium for Chemical Reaction Engineering, Abstracts.
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Prospects of complete mineralization of per- and polyfluoroalkyl substances by thermal destruction methods

Lucas Dos Santos Vargette (UGent) , Nathalie De Coensel (UGent) , Kevin De Ras (UGent) , Ruben Van de Vijver (UGent) , Stefan Voorspoels (UGent) and Kevin Van Geem (UGent)

(2023) CURRENT OPINION IN CHEMICAL ENGINEERING. 42.
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Experimental and kinetic study on the gas-phase pyrolysis of syringol

Liang Li, Ruben Van de Vijver (UGent) and Kevin Van Geem (UGent)

(2023) ENERGY & FUELS. 37(10). p.7246-7259
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- Conference Paper
- C3
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Kinetic modelling of chloroethane pyrolysis : a computational case study for chlorinated hydrocarbons

Jeroen Aerssens (UGent) , Lander Nelis (UGent) , Ruben Van de Vijver (UGent) and Kevin Van Geem (UGent)

(2023) 12th International Conference on Chemical Kinetics (ICCK), Abstracts.
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- Conference Paper
- C3
Kinetics modelling and mechanistic analysis of hydrogenolysis of bisphenol A based polycarbonate over NiO supported on Mg(Al)O

Lingfeng Li (UGent) , Ruben Van de Vijver (UGent) , Hari Sekhar Mitta (UGent) , Yonggang Cheng (UGent) , Elias Feghali, Karolien Vanbroekhoven (UGent) and Kevin Van Geem (UGent)

(2023) 12th International Conference on Chemical Kinetics (ICCK), Abstracts.
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- A1
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Combined catalytic and pyrolytic coking model for steam cracking of hydrocarbons

Jia Zhang (UGent) , Ruben Van de Vijver (UGent) , Ismaël Amghizar (UGent) , Marie-Françoise Reyniers (UGent) and Kevin Van Geem (UGent)

(2022) INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 61(11). p.3917-3927
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Review on the pyrolysis products and thermal decomposition mechanisms of polyurethanes

Jogchum Oenema (UGent) , Haoran Liu, Nathalie De Coensel (UGent) , Andreas Eschenbacher (UGent) , Ruben Van de Vijver (UGent) , Junjie Weng (UGent) , Liang Li, Changjian Wang and Kevin Van Geem (UGent)

(2022) JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS. 168.
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Detailed kinetic modeling for the pyrolysis of a jet a surrogate

Florence Vermeire (UGent) , Syam Ukkandath Aravindakshan, Agnes Jocher, Mengjie Liu, Te-Chun Chu, Ryan E. Hawtof, Ruben Van de Vijver (UGent) , Matthew B. Prendergast, Kevin Van Geem (UGent) and William H. Green

(2022) ENERGY & FUELS. 36(3). p.1304-1315
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Experimental and kinetic modeling study on the gas-phase pyrolysis of hydroxycinnamaldehyde model compounds

Liang Li, Ruben Van de Vijver (UGent) , Andreas Eschenbacher (UGent) , Florence Vermeire (UGent) and Kevin Van Geem (UGent)

(2022) ENERGY & FUELS. 36(19). p.12031-12045
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A detailed experimental and kinetic modeling study on pyrolysis and oxidation of oxymethylene ether-2 (OME-2)

Kevin De Ras (UGent) , Marvin Kusenberg (UGent) , Guillaume Vanhove, Yann Fenard, Andreas Eschenbacher (UGent) , Robin John Varghese (UGent) , Jeroen Aerssens (UGent) , Ruben Van de Vijver (UGent) , Luc-Sy Tran, Joris Thybaut (UGent) , et al.

(2022) COMBUSTION AND FLAME. 238.
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The merit of pressure dependent kinetic modelling in steam cracking

Jeroen Aerssens (UGent) , Florence Vermeire (UGent) , Syam Ukkandath Aravindakshan, Ruben Van de Vijver (UGent) and Kevin Van Geem (UGent)

(2022) FARADAY DISCUSSIONS. 238. p.491-511
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- C3
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Pyrolysis and oxidation of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study

Cato Pappijn, Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2022) PYRO2020 : International Conference on Analytical and Applied Pyrolysis, Abstracts.
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- Journal Article
- A2
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New perspectives into cellulose fast pyrolysis kinetics using a Py-GC × GC-FID/MS system

Sri Bala Gorugantu, Diana Cristina Vargas Solis (UGent) , Pavlo Kostetskyy, Ruben Van de Vijver (UGent) , Linda J. Broadbelt, Guy Marin (UGent) and Kevin Van Geem (UGent)

(2022) ACS ENGINEERING AU. 2(4). p.320-332
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- C1
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The impact of pressure dependence on pyrolysis

Jeroen Aerssens (UGent) , Marvin Kusenberg (UGent) , Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) and Kevin Van Geem (UGent)

(2022) CTS-2022, Chemical Technology Symposium, Proceedings.
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Machine learning in chemical engineering : strengths, weaknesses, opportunities, and threats

Maarten Dobbelaere (UGent) , Pieter Plehiers, Ruben Van de Vijver (UGent) , Christian Stevens (UGent) and Kevin Van Geem (UGent)

(2021) ENGINEERING. 7(9). p.1201-1211
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- Miscellaneous
Distribution changes during thermal degradation of poly(styrene peroxide) by pairing tree-based kinetic Monte Carlo and artificial intelligence tools

Onur Dogu, Pieter Plehiers, Ruben Van de Vijver (UGent) , Dagmar D'hooge (UGent) , Paul Van Steenberge (UGent) and Kevin Van Geem (UGent)

(2021) INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 60(8).
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Learning molecular representations for thermochemistry prediction of cyclic hydrocarbons and oxygenates

Maarten Dobbelaere (UGent) , Pieter Plehiers, Ruben Van de Vijver (UGent) , Christian Stevens (UGent) and Kevin Van Geem (UGent)

(2021) JOURNAL OF PHYSICAL CHEMISTRY A. 125(23). p.5166-5179
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Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study

Cato Pappijn, Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2021) PROCEEDINGS OF THE COMBUSTION INSTITUTE. 38(1). p.585-592
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Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species

Cato Pappijn, Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2021) INTERNATIONAL JOURNAL OF CHEMICAL KINETICS. 53(3). p.345-355
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The chemistry of chemical recycling of solid plastic waste via pyrolysis and gasification : state-of-the-art, challenges, and future directions

Onur Dogu, Matteo Pelucchi, Ruben Van de Vijver (UGent) , Paul Van Steenberge (UGent) , Dagmar D'hooge (UGent) , Alberto Cuoci, Marco Mehl, Alessio Frassoldati, Tiziano Faravelli and Kevin Van Geem (UGent)

(2021) PROGRESS IN ENERGY AND COMBUSTION SCIENCE. 84.
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Distribution changes during thermal degradation of poly(styrene peroxide) by pairing tree-based kinetic Monte Carlo and artificial intelligence tools

Onur Dogu, Pieter Plehiers, Ruben Van de Vijver (UGent) , Dagmar D'hooge (UGent) , Paul Van Steenberge (UGent) and Kevin Van Geem (UGent)

(2021) INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 60(8). p.3334-3353
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Primary thermal decomposition pathways of hydroxycinnamaldehydes

Liang Li, Ruben Van de Vijver (UGent) , Andreas Eschenbacher (UGent) , Onur Dogu and Kevin Van Geem (UGent)

(2021) ENERGY & FUELS. 35(15). p.12216-12226
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- C3
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An experimental and modeling study on low- and high-temperature pyrolysis and oxidation of oxymethylene ethers as a sustainable alternative fuel

Kevin De Ras (UGent) , Jeroen Aerssens (UGent) , Marvin Kusenberg (UGent) , Ruben Van de Vijver (UGent) , Andreas Eschenbacher (UGent) , Robin John Varghese (UGent) , Luc Sy Tran (UGent) , Guillaume Vanhove, Joris Thybaut (UGent) and Kevin Van Geem (UGent)

(2021) 2021 AIChE Annual Meeting, Abstracts.
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- Conference Paper
- C1
- open access
Building a holistic kinetic Monte Carlo modeling framework for achieving carbon circularity in vinyl copolymers

Onur Dogu, Pieter Plehiers, Ruben Van de Vijver (UGent) , Dagmar D'hooge (UGent) , Paul Van Steenberge (UGent) and Kevin Van Geem (UGent)

(2021) CTS-2021, Chemical Technology Symposium, Proceedings.
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On the primary thermal decomposition pathways of hydroxycinnamic acids

Sri Bala Gorugantu, Ruben Van de Vijver (UGent) , Liang Li, Onur Dogu, Guy Marin (UGent) and Kevin Van Geem (UGent)

(2021) PROCEEDINGS OF THE COMBUSTION INSTITUTE. 38(3). p.4207-4214
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- C3
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The influence of detailed stereochemistry during kinetic model construction : a case study for the oxidation of cyclohexane

Kevin De Ras (UGent) , Michiel Van Cauwelaert (UGent) , Jeroen Aerssens (UGent) , Ruben Van de Vijver (UGent) , Joris Thybaut (UGent) and Kevin Van Geem (UGent)

(2021) 2021 AIChE Annual Meeting, Abstracts.
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- C3
Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study

Cato Pappijn, Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2021) 38th International Symposium on Combustion, Abstracts.
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- A2
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Pyrolysis study of cinnamaldehyde model compound with analytical Py-GC×GC-FID/TOF-MS

Liang Li, Ruben Van de Vijver (UGent) , Sri Bala Gorugantu, Junjie Weng (UGent) and Kevin Van Geem (UGent)

(2020) CHEMICAL ENGINEERING TRANSACTIONS. 80. p.79-84
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Experimental and kinetic modeling study of the pyrolysis and oxidation of diethylamine

Cato Pappijn, Nicolas Vin, Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Olivier Herbinet, Frédérique Battin-Leclerc, Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2020) FUEL. 275.
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Detailed experimental and kinetic modeling study of 3-carene pyrolysis

Jia Zhang (UGent) , Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Olivier Herbinet, Frédérique Battin-Leclerc, Marie-Françoise Reyniers (UGent) and Kevin Van Geem (UGent)

(2020) INTERNATIONAL JOURNAL OF CHEMICAL KINETICS. 52(11). p.785-795
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- C3
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Kinetic Monte Carlo simulations of poly(styrene peroxide) chemical recycling

Onur Dogu, Pieter Plehiers, Ruben Van de Vijver (UGent) , Paul Van Steenberge (UGent) , Dagmar D'hooge (UGent) and Kevin Van Geem (UGent)

(2020) 2020 Virtual AIChE Annual Meeting proceedings.
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- C3
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Unravelling the combustion and pyrolysis chemistry of oxymethylene ethers as potential e-fuel

Kevin De Ras (UGent) , Ruben Van de Vijver (UGent) , Marvin Kusenberg (UGent) , Hwasup Song, Luc-Sy Tran, Thomas Paganet, Joris Thybaut (UGent) , Guillaume Vanhove and Kevin Van Geem (UGent)

(2020) 2020 Virtual AIChE Annual Meeting proceedings.
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- C3
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A combined modeling and experimental study on low- and high-temperature oxidation chemistry of OME3 as novel fuel additive

Kevin De Ras (UGent) , Ruben Van de Vijver (UGent) , Hwasup Song, Luc-Sy Tran, Marvin Kusenberg (UGent) , Thomas Paganet, Joris Thybaut (UGent) , Guillaume Vanhove and Kevin Van Geem (UGent)

(2020) Low-Carbon Combustion, joint meeting of the French and British sections of the Combustion Institute, LCC, Abstracts. p.13-14
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- A1
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Carbon capture and utilization in the steel industry : challenges and opportunities for chemical engineering

Kevin De Ras (UGent) , Ruben Van de Vijver (UGent) , Vladimir Galvita (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2019) CURRENT OPINION IN CHEMICAL ENGINEERING. 26. p.81-87
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- C3
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 (UGent) , Florence Vermeire (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2019) 11th International Conference On Chemical Kinetics (ICCK2019) : abstracts.
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- Conference Paper
- C1
Detailed experimental and kinetic modeling study of 3-carene pyrolysis

Jia Zhang (UGent) , Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Olivier Herbinet, Frédérique Battin-Leclerc, Marie-Françoise Reyniers (UGent) and Kevin Van Geem (UGent)

(2019) 11th International Conference On Chemical Kinetics (ICCK2019) : abstracts.
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The role of mass and heat transfer in the design of novel reactors for oxidative coupling of methane

Laurien Vandewalle (UGent) , Ruben Van de Vijver (UGent) , Kevin Van Geem (UGent) and Guy Marin (UGent)

(2019) CHEMICAL ENGINEERING SCIENCE. 198. p.268-289
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- C3
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Combinatorial reaction searches on the PES using KinBot

Ruben Van de Vijver (UGent) , Judit Zador, Guy Marin (UGent) and Kevin Van Geem (UGent)

(2019) ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 258.
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- Conference Paper
- C3
Assessment for the inclusion of liquid-phase chemistry in automatic kinetic model generation

Kevin De Ras (UGent) , Ruben Van de Vijver (UGent) , Florence Vermeire (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2019) ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 258.
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- Conference Paper
- C3
The need for pressure dependent kinetics in steam cracking models

Ruben Van de Vijver (UGent) , Florence Vermeire (UGent) , Kevin De Ras (UGent) , Syam Ukkandath Aravindakshan, Guy Marin (UGent) and Kevin Van Geem (UGent)

(2019) ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 258.
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- Conference Paper
- C3
Group additive kinetic modeling for the pyrolysis of cyclic species

Florence Vermeire (UGent) , Ruben Van de Vijver (UGent) , Guy Marin (UGent) and Kevin Van Geem (UGent)

(2019) 11th International Conference On Chemical Kinetics (ICCK2019) : abstracts.
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- Conference Paper
- C3
An artificial neural network-based approach to thermodynamic property estimation

Ruben Van de Vijver (UGent) , Pieter Plehiers, Pieter-Jan Verberckmoes, Guy Marin (UGent) , Christian Stevens (UGent) and Kevin Van Geem (UGent)

(2019) ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 258.
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- Conference Paper
- C3
- open access
Ketohydroperoxide reactions uncovered by KinBot

Ruben Van de Vijver (UGent) , Judit Zador, Guy Marin (UGent) and Kevin Van Geem (UGent)

(2019) 11th International Conference On Chemical Kinetics (ICCK2019) : abstracts.
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- Journal Article
- A1
On-the-fly ab initio calculations toward accurate rate coefficients

Ruben Van de Vijver (UGent) , Kevin Van Geem (UGent) and Guy Marin (UGent)

(2019) PROCEEDINGS OF THE COMBUSTION INSTITUTE. 37(1). p.283-290

Regression and application of kinetic group additivity theory for nitrogenated hydrocarbons

Steam cracking of sulfur containing compounds : a fundamental modelling study

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

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

Modeling the thermochemistry of nitrogen-containing compounds via group additivity

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

Which reaction pathways govern the decomposition of sulfur-containing compounds during pyrolysis of fossil and waste resources

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

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

Kinetic modelling of chloroethane pyrolysis : a computational case study for chlorinated hydrocarbons

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

Combined catalytic and pyrolytic coking model for steam cracking of hydrocarbons

Review on the pyrolysis products and thermal decomposition mechanisms of polyurethanes

Detailed kinetic modeling for the pyrolysis of a jet a surrogate

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

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

The merit of pressure dependent kinetic modelling in steam cracking

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

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

The impact of pressure dependence on pyrolysis

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

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

Learning molecular representations for thermochemistry prediction of cyclic hydrocarbons and oxygenates

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

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

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

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

Primary thermal decomposition pathways of hydroxycinnamaldehydes

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

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

On the primary thermal decomposition pathways of hydroxycinnamic acids

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

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

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

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

Detailed experimental and kinetic modeling study of 3-carene pyrolysis

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

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

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

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

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

Detailed experimental and kinetic modeling study of 3-carene pyrolysis

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

Combinatorial reaction searches on the PES using KinBot

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

The need for pressure dependent kinetics in steam cracking models

Group additive kinetic modeling for the pyrolysis of cyclic species

An artificial neural network-based approach to thermodynamic property estimation

Ketohydroperoxide reactions uncovered by KinBot

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