Driving
Chemical Technology

The Laboratory for Chemical Technology (LCT) integrates chemical science and engineering in its research on catalysis, polymerization, kinetics, reactor design and process design. LCT is part of the Department of Materials, Textiles and Chemical Engineering within the Faculty of Engineering and Architecture at Ghent University in Belgium and member of the Centre for Sustainable Chemistry (CSC) of Ghent University. LCT aims at research excellence and bottom-up innovation in the framework of technological, industrial, and societal challenges.

Publications

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