Software Enhanced Research iN Transient kinetics

Informazioni relative al progetto

SERENiTi

ID dell’accordo di sovvenzione: 825783

DOI 10.3030/825783

Progetto chiuso

Data della firma CE 17 Agosto 2018

Data di avvio 1 Ottobre 2018

Data di completamento 31 Marzo 2020

Finanziato da

• EXCELLENT SCIENCE - European Research Council (ERC)

Costo totale € 150 000,00

Contributo UE € 150 000,00

Coordinato da

UNIVERSITEIT GENT
Belgium

Pubblicazioni

Peer reviewed articles (9)

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

Autori: Laura Pirro, Pedro S. F. Mendes, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Pubblicato in: Reaction Chemistry & Engineering, Numero 5/3, 2020, Pagina/e 584-596, ISSN 2058-9883
Editore: 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

Autori: Vaios I. Alexiadis, Moritz Heuchel, Yvonne Traa, Elias Klemm, Nikos Papayannakos, Joris W. Thybaut
Pubblicato in: Chemical Engineering Journal, Numero 377, 2019, Pagina/e 120090, ISSN 1385-8947
Editore: Elsevier BV
DOI: 10.1016/j.cej.2018.10.027

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

Autori: Van der Borght, Alexopoulos, Toch, Thybaut, Marin, Galvita
Pubblicato in: Catalysts, Numero 9/11, 2019, Pagina/e 921, ISSN 2073-4344
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal9110921

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

Autori: Anton De Vylder, Jeroen Lauwaert, Jeriffa De Clercq, Pascal Van Der Voort, Christian V. Stevens, Joris W. Thybaut
Pubblicato in: Reaction Chemistry & Engineering, Numero 4/11, 2019, Pagina/e 1948-1956, ISSN 2058-9883
Editore: Royal Society of Chemistry
DOI: 10.1039/c9re00245f

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

Autori: Anton De Vylder, Jeroen Lauwaert, Stijn Van Auwenis, Jeriffa De Clercq, Joris W. Thybaut
Pubblicato in: Catalysts, Numero 9/9, 2019, Pagina/e 755, ISSN 2073-4344
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal9090755

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

Autori: Anton De Vylder, Jeroen Lauwaert, Maarten K. Sabbe, Marie-Françoise Reyniers, Jeriffa De Clercq, Pascal Van Der Voort, Joris W. Thybaut
Pubblicato in: Catalysis Today, Numero 334, 2019, Pagina/e 96-103, ISSN 0920-5861
Editore: Elsevier BV
DOI: 10.1016/j.cattod.2019.01.026

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

Autori: Laura Pirro, Pedro S. F. Mendes, Stijn Paret, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Pubblicato in: Catalysis Science & Technology, Numero 9/12, 2019, Pagina/e 3109-3125, ISSN 2044-4753
Editore: 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

Autori: Brigitte R. Devocht, Joris W. Thybaut, Naoki Kageyama, Kenneth Toch, Shigeo Ted Oyama, Guy B. Marin
Pubblicato in: AIChE Journal, Numero 65/4, 2019, Pagina/e 1222-1233, ISSN 0001-1541
Editore: 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

Autori: Laura Pirro, Ana Obradović, Bart D. Vandegehuchte, Guy B. Marin, Joris W. Thybaut
Pubblicato in: Industrial & Engineering Chemistry Research, Numero 57/48, 2018, Pagina/e 16295-16307, ISSN 0888-5885
Editore: American Chemical Society
DOI: 10.1021/acs.iecr.8b04242

Conference proceedings (16)

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

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

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

Extracting kinetic information in the era of Open Data

Autori: Mendes, P.S.F; Siradze, S.; Pirro, L.; Thybaut, J.W.
Pubblicato in: EuropaCat 2019 (Europacat), Numero August 18-23, 2019
Editore: EuropaCat 2019 (Europacat)

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

Autori: Alvarado Camacho, C.; Thybaut, J.W.; Poissonnier, J.; Castillo-Araiza, C.O.
Pubblicato in: EuropaCat (Europacat), Numero August 18-23, 2019
Editore: EuropaCat (Europacat)

Hydroconversion of alkane / cycloalkane mixture SEMK modeling study

Autori: Korica, N.; Mendes, P.S.F; De Clercq, J.; Thybaut, J.W.
Pubblicato in: Chemical Research in Flanders (CRF-2), Numero October 14-16, 2019
Editore: Chemical Research in Flanders (CRF-2)

Automated kinetic feature extraction from Open Access data

Autori: Siradze, S.; Mendes, P.S.F; Pirro, L.; Thybaut, J.W.
Pubblicato in: Chemical Research in Flanders (CRF-2), Numero October 14-16, 2019
Editore: Chemical Research in Flanders (CRF-2)

Reaction Pathway Analysis for metal catalyzed Fischer Tropsch Synthesis

Autori: Chakkingal, A.; Costa da Cruz, A.R.; Thybaut, J.W.; Khodakov, A.
Pubblicato in: Chemical Research in Flanders (CRF-2), Numero October 14-16, 2019
Editore: Chemical Research in Flanders (CRF-2)

Layered catalytic reactors for direct natural gas conversion to ethylene

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

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

Autori: Ibanez, J.; Poissonnier, J.; Thybaut, J.W.
Pubblicato in: 2019 AIChE Annual Meeting (19AIChE), Numero November 10-15, 2019
Editore: 2019 AIChE Annual Meeting (19AIChE)

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

Autori: Costa da Cruz, A.R.; Poissonnier, J.; Obradovic, A.; Toch, K.; Thybaut, J.W.
Pubblicato in: 2019 AIChE Annual Meeting (19AIChE), Numero November 10-15, 2019
Editore: 2019 AIChE Annual Meeting (19AIChE)

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

Autori: Poissonnier, J.; Van Waes, F.E.A.; Moonen, K.; Marin, G.B.; Thybaut, J.W.
Pubblicato in: 2019 AIChE Annual Meeting (19AIChE), Numero November 10-15, 2019
Editore: 2019 AIChE Annual Meeting (19AIChE)

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

Autori: Mendes, P.S.F; Siradze, S.; Pirro, L.; Thybaut, J.W.
Pubblicato in: 2019 AIChE Annual Meeting (19AIChE), Numero November 10-15, 2019
Editore: 2019 AIChE Annual Meeting (19AIChE)

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

Autori: Pirro, L.; Mendes, P.S.F; Kemseke, B.; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.
Pubblicato in: 2019 AIChE Annual Meeting (19AIChE), Numero November 10-15, 2019
Editore: 2019 AIChE Annual Meeting (19AIChE)

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

Autori: Ranga, C.; Poissonnier, J.; Lødeng, R.; Thybaut, J.W.
Pubblicato in: EuropaCat 2019 (Europacat), Numero August 18-23, 2019
Editore: EuropaCat 2019 (Europacat)

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

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

Autori: Chakkingal, A.; Costa da Cruz, A.R.; Thybaut, J.W.
Pubblicato in: Netherlands' Catalysis and Chemistry Conference. (N3C), Numero March 2020, 2020
Editore: Netherlands' Catalysis and Chemistry Conference. (N3C)