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Publications

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

Author(s): Laura Pirro, Pedro S. F. Mendes, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Published in: Reaction Chemistry & Engineering, Issue 5/3, 2020, Page(s) 584-596, ISSN 2058-9883
DOI: 10.1039/c9re00478e

Model based analysis of the effect of 2-ethylphenol addition to n-decane in fluid catalytic cracking over a series of zeolites

Author(s): Vaios I. Alexiadis, Moritz Heuchel, Yvonne Traa, Elias Klemm, Nikos Papayannakos, Joris W. Thybaut
Published in: Chemical Engineering Journal, Issue 377, 2019, Page(s) 120090, ISSN 1385-8947
DOI: 10.1016/j.cej.2018.10.027

First-Principles-Based Simulation of an Industrial Ethanol Dehydration Reactor

Author(s): Van der Borght, Alexopoulos, Toch, Thybaut, Marin, Galvita
Published in: Catalysts, Issue 9/11, 2019, Page(s) 921, ISSN 2073-4344
DOI: 10.3390/catal9110921

Kinetic evaluation of chitosan-derived catalysts for the aldol reaction in water

Author(s): Anton De Vylder, Jeroen Lauwaert, Jeriffa De Clercq, Pascal Van Der Voort, Christian V. Stevens, Joris W. Thybaut
Published in: Reaction Chemistry & Engineering, Issue 4/11, 2019, Page(s) 1948-1956, ISSN 2058-9883
DOI: 10.1039/c9re00245f

Catalyst Stability Assessment in a Lab-Scale Liquid-Solid (LS)² Plug-Flow Reactor

Author(s): Anton De Vylder, Jeroen Lauwaert, Stijn Van Auwenis, Jeriffa De Clercq, Joris W. Thybaut
Published in: Catalysts, Issue 9/9, 2019, Page(s) 755, ISSN 2073-4344
DOI: 10.3390/catal9090755

Rational design of nucleophilic amine sites via computational probing of steric and electronic effects

Author(s): Anton De Vylder, Jeroen Lauwaert, Maarten K. Sabbe, Marie-Françoise Reyniers, Jeriffa De Clercq, Pascal Van Der Voort, Joris W. Thybaut
Published in: Catalysis Today, Issue 334, 2019, Page(s) 96-103, ISSN 0920-5861
DOI: 10.1016/j.cattod.2019.01.026

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

Author(s): Laura Pirro, Pedro S. F. Mendes, Stijn Paret, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Published in: Catalysis Science & Technology, Issue 9/12, 2019, Page(s) 3109-3125, ISSN 2044-4753
DOI: 10.1039/c9cy00719a

Balance between model detail and experimental information in steam methane reforming over a Ni/MgO-SiO 2 catalyst

Author(s): Brigitte R. Devocht, Joris W. Thybaut, Naoki Kageyama, Kenneth Toch, Shigeo Ted Oyama, Guy B. Marin
Published in: AIChE Journal, Issue 65/4, 2019, Page(s) 1222-1233, ISSN 0001-1541
DOI: 10.1002/aic.16512

Model-Based Catalyst Selection for the Oxidative Coupling of Methane in an Adiabatic Fixed-Bed Reactor

Author(s): Laura Pirro, Ana Obradović, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Published in: Industrial & Engineering Chemistry Research, Issue 57/48, 2018, Page(s) 16295-16307, ISSN 0888-5885
DOI: 10.1021/acs.iecr.8b04242

A Quantitative Understanding of the Water Effect on the Amine Catalyzed Aldol Reaction

Author(s): De Vylder, A.; Lauwaert, J.; Sabbe, M.K.; De Clercq, J.; Van Der Voort, P.; Thybaut, J.W.
Published in: North American Symposium for Chemical Reaction Engineering (NASCRE 4), Issue March 10-13, 2019

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

Author(s): Pirro, L.; Mendes, P.S.F; Obradovic, A.; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Published in: 12th Natural Gas Conversion Symposium (NGCS12), Issue June 2-6, 2019

Extracting kinetic information in the era of Open Data

Author(s): Mendes, P.S.F; Siradze, S.; Pirro, L.; Thybaut, J.W.
Published in: EuropaCat 2019 (Europacat), Issue August 18-23, 2019

Kinetic Analysis of the Oxative Dehydrogenation of Ethane overe a NiSnO catalysts

Author(s): Alvarado Camacho, C.; Thybaut, J.W.; Poissonnier, J.; Castillo-Araiza, C.O.
Published in: EuropaCat (Europacat), Issue August 18-23, 2019

Hydroconversion of alkane / cycloalkane mixture SEMK modeling study

Author(s): Korica, N.; Mendes, P.S.F; De Clercq, J.; Thybaut, J.W.
Published in: Chemical Research in Flanders (CRF-2), Issue October 14-16, 2019

Automated kinetic feature extraction from Open Access data

Author(s): Siradze, S.; Mendes, P.S.F; Pirro, L.; Thybaut, J.W.
Published in: Chemical Research in Flanders (CRF-2), Issue October 14-16, 2019

Reaction Pathway Analysis for metal catalyzed Fischer Tropsch Synthesis

Author(s): Chakkingal, A.; Costa da Cruz, A.R.; Thybaut, J.W.; Khodakov, A.
Published in: Chemical Research in Flanders (CRF-2), Issue October 14-16, 2019

Layered catalytic reactors for direct natural gas conversion to ethylene

Author(s): De Keulenaer, J.; Pirro, L.; Mendes, P.S.F; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Published in: Chemical Research in Flanders (CRF-2), Issue October 14-16, 2019

Transient Two-Dimensional Heterogeneous Reactor Model for Exothermic Reactions: Fundamentals vs Identifiability

Author(s): Ibanez, J.; Poissonnier, J.; Thybaut, J.W.
Published in: 2019 AIChE Annual Meeting (19AIChE), Issue November 10-15, 2019

Top-Down kinetic modeling: a transient solution strategy to assess benzene hydrogenation kinetics

Author(s): Costa da Cruz, A.R.; Poissonnier, J.; Obradovic, A.; Toch, K.; Thybaut, J.W.
Published in: 2019 AIChE Annual Meeting (19AIChE), Issue November 10-15, 2019

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

Author(s): Poissonnier, J.; Van Waes, F.E.A.; Moonen, K.; Marin, G.B.; Thybaut, J.W.
Published in: 2019 AIChE Annual Meeting (19AIChE), Issue November 10-15, 2019

Rational catalyst design: kinetics put into action for small Open Data

Author(s): Mendes, P.S.F; Siradze, S.; Pirro, L.; Thybaut, J.W.
Published in: 2019 AIChE Annual Meeting (19AIChE), Issue November 10-15, 2019

Multi-Scale Simulation Framework for the Oxidative Coupling of Methane: from Process layouts to Catalyst particles

Author(s): Pirro, L.; Mendes, P.S.F; Kemseke, B.; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Published in: 2019 AIChE Annual Meeting (19AIChE), Issue November 10-15, 2019

Bio-oil model mixtures HDO over supported NiMo and CoMo catalysts – effect of carboxylic acids

Author(s): Ranga, C.; Poissonnier, J.; Lødeng, R.; Thybaut, J.W.
Published in: EuropaCat 2019 (Europacat), Issue August 18-23, 2019

Isothermal vs Adiabatic Fixed-Bed Reactor Operation in the Direct Catalytic Conversion of Methane to C2 Products

Author(s): Pirro, L.; Mendes, P.S.F; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Published in: """Resources for a succesful Bio- and Chemical Industry: re-Engineering Chemical Processes & Equipment"" (eFFECT²)", Issue February 12, 2019

Influence of promoters on Fischer Tropsch synthesis using iron catalyst: A microkinetic study for rational catalyst design

Author(s): Chakkingal, A.; Costa da Cruz, A.R.; Thybaut, J.W.
Published in: Netherlands' Catalysis and Chemistry Conference. (N3C), Issue March 2020, 2020