Software Enhanced Research iN Transient kinetics

Project Information

SERENiTi

Grant agreement ID: 825783

DOI

10.3030/825783

Project closed

EC signature date 17 August 2018

Start date 1 October 2018

End date 31 March 2020

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 150 000,00

EU contribution

€ 150 000,00

Coordinated by

UNIVERSITEIT GENT
Belgium

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (9)

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
Publisher: 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

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
Publisher: Elsevier BV
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
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
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
Publisher: Royal Society of Chemistry
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
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
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
Publisher: Elsevier BV
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
Publisher: 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

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
Publisher: 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

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
Publisher: 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

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
Publisher: 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

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
Publisher: 12th Natural Gas Conversion Symposium (NGCS12)

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
Publisher: EuropaCat 2019 (Europacat)

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
Publisher: EuropaCat (Europacat)

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
Publisher: Chemical Research in Flanders (CRF-2)

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
Publisher: Chemical Research in Flanders (CRF-2)

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
Publisher: Chemical Research in Flanders (CRF-2)

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
Publisher: Chemical Research in Flanders (CRF-2)

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
Publisher: 2019 AIChE Annual Meeting (19AIChE)

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
Publisher: 2019 AIChE Annual Meeting (19AIChE)

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
Publisher: 2019 AIChE Annual Meeting (19AIChE)

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
Publisher: 2019 AIChE Annual Meeting (19AIChE)

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
Publisher: 2019 AIChE Annual Meeting (19AIChE)

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
Publisher: EuropaCat 2019 (Europacat)

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
Publisher: """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

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