The chemistry of chemical recycling of solid plastic waste via pyrolysis and gasification: State-of-the-art, challenges, and future directions O Dogu, M Pelucchi, R Van de Vijver, PHM Van Steenberge, DR D'hooge, ... Progress in Energy and Combustion Science 84, 100901, 2021 | 545 | 2021 |
Machine learning in chemical engineering: strengths, weaknesses, opportunities, and threats MR Dobbelaere, PP Plehiers, R Van de Vijver, CV Stevens, ... Engineering 7 (9), 1201-1211, 2021 | 233 | 2021 |
Automatic mechanism and kinetic model generation for gas‐and solution‐phase processes: a perspective on best practices, recent advances, and future challenges R Van de Vijver, NM Vandewiele, PL Bhoorasingh, BL Slakman, ... International Journal of Chemical Kinetics 47 (4), 199-231, 2015 | 148 | 2015 |
KinBot: Automated stationary point search on potential energy surfaces R Van de Vijver, J Zádor Computer Physics Communications 248, 106947, 2020 | 142 | 2020 |
Carbon capture and utilization in the steel industry: challenges and opportunities for chemical engineering K De Ras, R Van de Vijver, VV Galvita, GB Marin, KM Van Geem Current Opinion in Chemical Engineering 26, 81-87, 2019 | 119 | 2019 |
In-field detection of Alternaria solani in potato crops using hyperspectral imaging R Van De Vijver, K Mertens, K Heungens, B Somers, D Nuyttens, ... Computers and electronics in agriculture 168, 105106, 2020 | 82 | 2020 |
The role of mass and heat transfer in the design of novel reactors for oxidative coupling of methane LA Vandewalle, R Van de Vijver, KM Van Geem, GB Marin Chemical Engineering Science 198, 268-289, 2019 | 73 | 2019 |
Review on the pyrolysis products and thermal decomposition mechanisms of polyurethanes J Oenema, H Liu, N De Coensel, A Eschenbacher, R Van de Vijver, ... Journal of Analytical and Applied Pyrolysis 168, 105723, 2022 | 56 | 2022 |
Automated reaction kinetics of gas-phase organic species over multiwell potential energy surfaces J Zádor, C Martí, R Van de Vijver, SL Johansen, Y Yang, HA Michelsen, ... The Journal of Physical Chemistry A 127 (3), 565-588, 2023 | 40 | 2023 |
A detailed experimental and kinetic modeling study on pyrolysis and oxidation of oxymethylene ether-2 (OME-2) K De Ras, M Kusenberg, G Vanhove, Y Fenard, A Eschenbacher, ... Combustion and Flame 238, 111914, 2022 | 37 | 2022 |
On-the-fly ab initio calculations toward accurate rate coefficients R Van de Vijver, KM Van Geem, GB Marin Proceedings of the Combustion Institute 37 (1), 283-290, 2019 | 30 | 2019 |
Challenges and opportunities for molecule-based management of chemical processes R Van de Vijver, BR Devocht, KM Van Geem, JW Thybaut, GB Marin Current Opinion in Chemical Engineering 13, 142-149, 2016 | 29 | 2016 |
Combustion of ethylamine, dimethylamine and diethylamine: theoretical and kinetic modeling study CAR Pappijn, FH Vermeire, R Van de Vijver, MF Reyniers, GB Marin, ... Proceedings of the Combustion Institute 38 (1), 585-592, 2021 | 27 | 2021 |
Decomposition and isomerization of 1-pentanol radicals and the pyrolysis of 1-pentanol R Van de Vijver, KM Van Geem, GB Marin, J Zádor Combustion and Flame 196, 500-514, 2018 | 27 | 2018 |
Rule-based ab initio kinetic model for alkyl sulfide pyrolysis R Van de Vijver, NM Vandewiele, AG Vandeputte, KM Van Geem, ... Chemical Engineering Journal 278, 385-393, 2015 | 26 | 2015 |
Distribution changes during thermal degradation of poly (styrene peroxide) by pairing tree-based kinetic Monte Carlo and artificial intelligence tools O Dogu, PP Plehiers, R Van de Vijver, DR D’hooge, ... Industrial & Engineering Chemistry Research 60 (8), 3334-3353, 2021 | 22 | 2021 |
Experimental and kinetic modeling study of the pyrolysis and oxidation of diethylamine CAR Pappijn, N Vin, FH Vermeire, R Van de Vijver, O Herbinet, ... Fuel 275, 117744, 2020 | 19 | 2020 |
Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions R Van de Vijver, MK Sabbe, MF Reyniers, KM Van Geem, GB Marin Physical Chemistry Chemical Physics 20 (16), 10877-10894, 2018 | 19 | 2018 |
Detailed kinetic modeling for the pyrolysis of a jet a surrogate FH Vermeire, SU Aravindakshan, A Jocher, M Liu, TC Chu, RE Hawtof, ... Energy & Fuels 36 (3), 1304-1315, 2022 | 18 | 2022 |
Learning molecular representations for thermochemistry prediction of cyclic hydrocarbons and oxygenates MR Dobbelaere, PP Plehiers, R Van de Vijver, CV Stevens, ... The Journal of Physical Chemistry A 125 (23), 5166-5179, 2021 | 17 | 2021 |