A Comprehensive Model for the Role of Water and Silanols in the Amine Catalyzed Aldol Reaction

De Vylder, A.; Lauwaert, J.; Sabbe, M.K.; Reyniers, M.-F.; De Clercq, J.; Van Der Voort, P.; Thybaut, J.W.

Chemical Engineering Journal

SCI-IF: 8.355 (2018), ranking: 6/138, quartile: Q1
doi: 10.1016/j.cej.2020.127070

Tuning size and coverage of Pd nanoparticles using Atomic Layer Deposition

Feng, J.Y.; Ramanchandran, K.R.; Solano, E.; Minjauw, M.M.; Van Daele, M.; Vantomme, A.; Hermida-Merino, D.; Coati, A.; Poelman, H.; Detavernier, C.; Dendooven, J.

Applied Surface Science

SCI-IF: 3387 (2016), ranking: 46/146, quartile: Q2
doi: 10.1016/j.apsusc.2020.148238

3D-printing of metallic honeycomb monoliths as a doorway to a new generation of catalytic devices: the Ni-based catalysts in methane dry reforming showcase

Agueniou, F.; Vidal, H.; López, J.D.; Hernández-Garrido, J.C.; Calvino, J.J.; Cauqui, M.A.; Botana, J.B.; Galvita, V.V.; Gaticaa, J.M.

Catalysis Communications

148, 106181, 2021
doi: 10.1016/j.catcom.2020.106181

Bifunctional NiCe/Ca@Zr material for integrated CO2 capture and conversion via calcium-looping dry reforming

Hu, J.; Hongmanorom, P.; Galvita, V.V.; Li, Z.; Kawi, S.

Applied Catalysis B: Environmental

284, 119734, 2021
SCI-IF: 14.229 (2018), ranking: 3/138, quartile: Q1
doi: https://doi.org/10.1016/j.apcatb.2020.119734

Influence of machine type and consecutive closed-loop recycling on macroscopic properties for fused filament fabrication of acrylonitrile-butadiene-styrene parts

Dal Fabbro, P.; La Gala, A.; Van de Steene, E.; D’hooge, D.R.; Lucchetta, G.; Cardon, L.; Fiorio, R.

Rapid Prototyping Journal

SCI-IF: 3.714 (2019), ranking: 68/96, quartile: Q1
doi: https://doi.org/10.1108/RPJ-03-2020-0060

Lifting the quality of fused filament fabrication of polylactic acid based composites

Wang, S.; Daelemans, L.; D'hooge, D.R.; Gou, M.; Couck, L.; Van Den Broeck, W.; Cornillie, P.; De Clerck, K.; Cardon, L.

Composites Part B: Engineering

SCI-IF: 7.635 (2019), ranking: 90/422, quartile: Q1
doi: https://doi.org/10.1016/j.compositesb.2021.108613

Intensification of Chemical Looping Processes by Catalyst Assistance and Combination

Poelman, H.; Galvita, V.V.

Catalysts

11 (2), 266, 2021
doi: https://doi.org/10.3390/catal11020266

Optimising open and closed cooling time for hybrid injection moulding of polypropylene with polyamide inserts from multi jet fusion

Fernandez, E.; Vande Ryse, R.; Cavicchiolo, L.; D’hooge, D.R.; Cardon, L.

Plastics, Rubber and Composites

50 (3), 137-145, 2021
doi: 10.1080/14658011.2020.1855387

Extending Multilevel Statistical Entropy Analysis towards Plastic Recyclability Prediction

Nimmegeers, P.; Parchomenko, A.; De Meulenaere, P.; D'hooge, D.R.; Van Steenberge, P.; Rechberger, H.; Billen, P.

Sustainability

13 (6), 3553, 2021
doi: https://doi.org/10.3390/su13063553

The chemistry of chemical recycling of solid plastic waste via pyrolysis and gasification: State-of-the-art, challenges, and future directions

Dogu, O.; Pelucchi, M.; Van de Vijver, R.; Van Steenberge, P.; D’hooge, D.R.; Cuoci, A.; Mehl, M.; Frassoldati, A.; Faravelli, T.; Van Geem, K.M.

Progress in Energy and Combustion Science

84 (May 2021), 100901, 2021
doi: 10.1016/j.pecs.2020.100901

Distribution Changes during Thermal Degradation of Poly(styrene peroxide) by Pairing Tree-Based Kinetic Monte Carlo and Artificial Intelligence Tools

Dogu, O.; Plehiers, P.; Van de Vijver, R.; D’hooge, D.R.; Van Steenberge, P.; Van Geem, K.M.

Industrial & Engineering Chemistry Research

60 (8), 3334, 2021
doi: 10.1021/acs.iecr.0c05414

Coupled matrix kinetic Monte Carlo simulations applied for advanced understanding of polymer grafting kinetics

Figueira, F.L.; Wu, Y.-Y.; Zhou, Y.-N.; Luo, Z.-H.; Van Steenberge, P.; D’hooge, D.R.

Reaction Chemistry & Engineering

6 (4), 640-661, 2021
doi: 10.1039/D0RE00407C

catchyFOAM: Euler-Euler CFD simulation of fluidized bed reactors with microkinetic modeling of gas phase and catalytic surface chemistr

Vandewalle, L.A.; Marin, G.B.; Van Geem, K.M.

Energy & Fuels

35 (3), 2545–2561, 2021
doi: 10.1021/acs.energyfuels.0c02824

Efficient micromixing in a gas-liquid vortex reactor

Ouyang, Y.; Nunez, M.; Beirnaert, K.; Heynderickx, G.J.; Van Geem, K.M.

AIChE Journal

doi: 10.1002/aic.17264

From catalyst to process: bridging the scales in modeling the OCM reaction

Pirro, L.; Mendes, P.S.F; Kemseke, B.; Vandegehuchte, B.D.; Marin, G.B.; Thybaut, J.W.

Catalysis Today

365, 35-45, 2021
doi: 10.1016/j.cattod.2020.06.084

Active phases for high temperature Fischer-Tropsch synthesis in the silica supported iron catalysts promoted with antimony and tin

Peron, D.; Barrios, A.; Tashin, A.; Dugulan, I.; Marini, C.; Gorni, G.; Moldovan, S.; Koneti, S.; Abba, I.; Wojcieszak, R.; Thybaut, J.W.; Virginie, M.; Khodakov, Y.

Applied Catalysis B: Environmental

292, 120141, 2021
doi: doi.org/10.1016/j.apcatb.2021.120141

Open data in catalysis: from today's big picture to the future of small data

Mendes, P.S.F; Siradze, S.; Pirro, L.; Thybaut, J.W.

ChemCatChem

13, 836-850, 2021
doi: 10.1002/cctc.202001132

Impact of side reactions on molar mass distribution, unsaturation level and branching density in solution free radical polymerization of n-butyl acrylate under well-defined lab-scale reactor conditions

Edeleva, M.; Marien, Y.W.; Van Steenberge, P.; D'hooge, D.R.

Polymer Chemistry

12 (14), 2095-2114, 2021
SCI-IF: 5.687 (2015), ranking: 4/85, quartile: Q1
doi: 10.1039/d1py00151e

Single catalyst particle growth modeling in thermocatalytic decomposition of methane

Hadian, M.; Buist, K.; Bos, R.; Kuipers, H.

Chemical Engineering Journal

421 (1), 129759, 2021
doi: https://doi.org/10.1016/j.cej.2021.129759

Translating Simulated Chain Length and Molar Mass Distributions in Chain-Growth Polymerization for Experimental Comparison and

Marien, Y.W.; Edeleva, M.; Figueira, F.L.; Arraez, F. J.; Van Steenberge, P.; D’hooge, D.R.

Macromolecular Theory and Simulations

30 (3), 2100008, 2021
doi: DOI: 10.1002/mats.202100008

Microstructured ZrO2 coating of iron oxide for enhanced CO2 conversion

Jin, B.; Poelman, H.; Detavernier, C.; Liang, Z.; Marin, G.B.; Galvita, V.V.

Applied Catalysis B: Environmental

292, 120194, 2021
doi: https://doi.org/10.1016/j.apcatb.2021.120194

The Effect of Refractory Wall Emissivity on the Energy Efficiency of a Gas-Fired Steam Cracking Pilot Unit

Vangaever, S.; Van Thielen, J.; Hood, J.; Olver, J.; Honnerova, P.; Heynderickx, G.J.; Van Geem, K.M.

Materials

14 (880), 2021
doi: https://doi.org/10.3390/ma14040880

Dehydration of butanol towards butenes over MFI, FAU and MOR: influence of zeolite topology

de Reviere, A.; Gunst, D.; Sabbe, M.K.; Reyniers, M.-F.; Verberckmoes, A.

Catalysis Science & Technology

2021
doi: 10.1039/D0CY02366C

CFD-based assessment of steady-state multiplicity in a gas-solid vortex reactor for oxidative coupling of methane

Vandewalle, L.A.; Marin, G.B.; Van Geem, K.M.

Chemical Engineering and Processing. Process Intensification

165, 108434, 2021
doi: 10.1016/j.cep.2021.108434

Dream or Reality? Electrification of the Chemical Process Industries

Bonheure, M.; Vandewalle, L.A.; Marin, G.B.; Van Geem, K.M.

Chemical Engineering Progress

44 (3), 37-42, 2021

Jacket temperature regulation allowing well-defined non-adiabatic lab-scale solution free radical polymerization of acrylates

Edeleva, M.; Marien, Y.W.; Van Steenberge, P.; D'hooge, D.R.

Reaction Chemistry & Engineering

2021
doi: https://doi.org/10.1039/D1RE00099C

Computational prediction of the molecular configuration of three-dimensional network polymers

De Keer, L.; Kilic, K.; Van Steenberge, P.; Daelemans, L.; Kodura, D.; Frisch, H.; De Clerck, K.; Reyniers, M.-F.; Barner Kowollik, C.; Dauskardt, R.; D'hooge, D.R.

Nature Materials

2021
doi: https://doi.org/10.1038/s41563-021-01040-0

Bridging principal component analysis and method of moments based parameter estimation for grafting of polybutadiene with styrene

Wu, Y.-Y.; Figueira, F.L.; Van Steenberge, P.; D'hooge, D.R.; Zhou, Y.-N.; Luo, Z.-H.

Chemical Engineering Journal

425 (1), 130463, 2021
doi: https://doi.org/10.1016/j.cej.2021.130463

Methane decomposition kinetics on unfunctionalized Alumina surfaces

Kreuger, T.; van Swaaij, W.; Bos, R.; Kersten, S.R.A.

Chemical Engineering Journal

427, 130412, 2021
SCI-IF: 8.355 (2018), ranking: 6/138, quartile: Q1
doi: 10.1016/j.cej.2021.130412

Learning Molecular Representations for Thermochemistry Prediction of Cyclic Hydrocarbons and Oxygenates

Dobbelaere, M.R.; Plehiers, P.; Van de Vijver, R.; Stevens, C.V.; Van Geem, K.M.

Journal of Physical Chemistry A

125 (23), 5166–5179, 2021
doi: 10.1021/acs.jpca.1c01956