Software Enhanced Research iN Transient kinetics

Publicaciones

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

Autores: Laura Pirro, Pedro S. F. Mendes, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Publicado en: Reaction Chemistry & Engineering, Edición 5/3, 2020, Página(s) 584-596, ISSN 2058-9883
Editor: Royal Society of Chemistry (RSC)
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

Autores: Vaios I. Alexiadis, Moritz Heuchel, Yvonne Traa, Elias Klemm, Nikos Papayannakos, Joris W. Thybaut
Publicado en: Chemical Engineering Journal, Edición 377, 2019, Página(s) 120090, ISSN 1385-8947
Editor: Elsevier BV
DOI: 10.1016/j.cej.2018.10.027

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

Autores: Van der Borght, Alexopoulos, Toch, Thybaut, Marin, Galvita
Publicado en: Catalysts, Edición 9/11, 2019, Página(s) 921, ISSN 2073-4344
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal9110921

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

Autores: Anton De Vylder, Jeroen Lauwaert, Jeriffa De Clercq, Pascal Van Der Voort, Christian V. Stevens, Joris W. Thybaut
Publicado en: Reaction Chemistry & Engineering, Edición 4/11, 2019, Página(s) 1948-1956, ISSN 2058-9883
Editor: Royal Society of Chemistry
DOI: 10.1039/c9re00245f

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

Autores: Anton De Vylder, Jeroen Lauwaert, Stijn Van Auwenis, Jeriffa De Clercq, Joris W. Thybaut
Publicado en: Catalysts, Edición 9/9, 2019, Página(s) 755, ISSN 2073-4344
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal9090755

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

Autores: Anton De Vylder, Jeroen Lauwaert, Maarten K. Sabbe, Marie-Françoise Reyniers, Jeriffa De Clercq, Pascal Van Der Voort, Joris W. Thybaut
Publicado en: Catalysis Today, Edición 334, 2019, Página(s) 96-103, ISSN 0920-5861
Editor: Elsevier BV
DOI: 10.1016/j.cattod.2019.01.026

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

Autores: Laura Pirro, Pedro S. F. Mendes, Stijn Paret, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Publicado en: Catalysis Science & Technology, Edición 9/12, 2019, Página(s) 3109-3125, ISSN 2044-4753
Editor: Royal Society of Chemistry
DOI: 10.1039/c9cy00719a

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

Autores: Brigitte R. Devocht, Joris W. Thybaut, Naoki Kageyama, Kenneth Toch, Shigeo Ted Oyama, Guy B. Marin
Publicado en: AIChE Journal, Edición 65/4, 2019, Página(s) 1222-1233, ISSN 0001-1541
Editor: American Institute of Chemical Engineers
DOI: 10.1002/aic.16512

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

Autores: Laura Pirro, Ana Obradović, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Publicado en: Industrial & Engineering Chemistry Research, Edición 57/48, 2018, Página(s) 16295-16307, ISSN 0888-5885
Editor: American Chemical Society
DOI: 10.1021/acs.iecr.8b04242

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

Autores: De Vylder, A.; Lauwaert, J.; Sabbe, M.K.; De Clercq, J.; Van Der Voort, P.; Thybaut, J.W.
Publicado en: North American Symposium for Chemical Reaction Engineering (NASCRE 4), Edición March 10-13, 2019
Editor: North American Symposium for Chemical Reaction Engineering (NASCRE 4)

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

Autores: Pirro, L.; Mendes, P.S.F; Obradovic, A.; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Publicado en: 12th Natural Gas Conversion Symposium (NGCS12), Edición June 2-6, 2019
Editor: 12th Natural Gas Conversion Symposium (NGCS12)

Extracting kinetic information in the era of Open Data

Autores: Mendes, P.S.F; Siradze, S.; Pirro, L.; Thybaut, J.W.
Publicado en: EuropaCat 2019 (Europacat), Edición August 18-23, 2019
Editor: EuropaCat 2019 (Europacat)

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

Autores: Alvarado Camacho, C.; Thybaut, J.W.; Poissonnier, J.; Castillo-Araiza, C.O.
Publicado en: EuropaCat (Europacat), Edición August 18-23, 2019
Editor: EuropaCat (Europacat)

Hydroconversion of alkane / cycloalkane mixture SEMK modeling study

Autores: Korica, N.; Mendes, P.S.F; De Clercq, J.; Thybaut, J.W.
Publicado en: Chemical Research in Flanders (CRF-2), Edición October 14-16, 2019
Editor: Chemical Research in Flanders (CRF-2)

Automated kinetic feature extraction from Open Access data

Autores: Siradze, S.; Mendes, P.S.F; Pirro, L.; Thybaut, J.W.
Publicado en: Chemical Research in Flanders (CRF-2), Edición October 14-16, 2019
Editor: Chemical Research in Flanders (CRF-2)

Reaction Pathway Analysis for metal catalyzed Fischer Tropsch Synthesis

Autores: Chakkingal, A.; Costa da Cruz, A.R.; Thybaut, J.W.; Khodakov, A.
Publicado en: Chemical Research in Flanders (CRF-2), Edición October 14-16, 2019
Editor: Chemical Research in Flanders (CRF-2)

Layered catalytic reactors for direct natural gas conversion to ethylene

Autores: De Keulenaer, J.; Pirro, L.; Mendes, P.S.F; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Publicado en: Chemical Research in Flanders (CRF-2), Edición October 14-16, 2019
Editor: Chemical Research in Flanders (CRF-2)

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

Autores: Ibanez, J.; Poissonnier, J.; Thybaut, J.W.
Publicado en: 2019 AIChE Annual Meeting (19AIChE), Edición November 10-15, 2019
Editor: 2019 AIChE Annual Meeting (19AIChE)

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

Autores: Costa da Cruz, A.R.; Poissonnier, J.; Obradovic, A.; Toch, K.; Thybaut, J.W.
Publicado en: 2019 AIChE Annual Meeting (19AIChE), Edición November 10-15, 2019
Editor: 2019 AIChE Annual Meeting (19AIChE)

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

Autores: Poissonnier, J.; Van Waes, F.E.A.; Moonen, K.; Marin, G.B.; Thybaut, J.W.
Publicado en: 2019 AIChE Annual Meeting (19AIChE), Edición November 10-15, 2019
Editor: 2019 AIChE Annual Meeting (19AIChE)

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

Autores: Mendes, P.S.F; Siradze, S.; Pirro, L.; Thybaut, J.W.
Publicado en: 2019 AIChE Annual Meeting (19AIChE), Edición November 10-15, 2019
Editor: 2019 AIChE Annual Meeting (19AIChE)

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

Autores: Pirro, L.; Mendes, P.S.F; Kemseke, B.; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Publicado en: 2019 AIChE Annual Meeting (19AIChE), Edición November 10-15, 2019
Editor: 2019 AIChE Annual Meeting (19AIChE)

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

Autores: Ranga, C.; Poissonnier, J.; Lødeng, R.; Thybaut, J.W.
Publicado en: EuropaCat 2019 (Europacat), Edición August 18-23, 2019
Editor: EuropaCat 2019 (Europacat)

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

Autores: Pirro, L.; Mendes, P.S.F; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Publicado en: """Resources for a succesful Bio- and Chemical Industry: re-Engineering Chemical Processes & Equipment"" (eFFECT²)", Edición February 12, 2019
Editor: """Resources for a succesful Bio- and Chemical Industry: re-Engineering Chemical Processes & Equipment"" (eFFECT²)"

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

Autores: Chakkingal, A.; Costa da Cruz, A.R.; Thybaut, J.W.
Publicado en: Netherlands' Catalysis and Chemistry Conference. (N3C), Edición March 2020, 2020
Editor: Netherlands' Catalysis and Chemistry Conference. (N3C)

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