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.

Publications

Gateway analysis for complex reaction mechanisms: Kinetic Informative Detachable (KID) sub-mechanisms

Branco Pinto, D.; Yablonsky, G.S.; Marin, G.B.; Constales, D.

Chemical Engineering Science

178, 183-193, 2018
SCI-IF: 2.895 (2016), ranking: 32/135, quartile: Q1
doi: 10.1016/j.ces.2017.12.018

Experimental and modeling study of the pyrolysis and combustion of dimethoxymethane

Vermeire, F.; Carstensen, H.-H.; Herbinet, O.; Battin-Leclerc, F.; Marin, G.B.; Van Geem, K.M.

Combustion and Flame

190, 270-283, 2018
SCI-IF: 3.663 (2016), ranking: 18/135, quartile: Q1
doi: 10.1016/j.combustflame.2017.12.001

How chain length dependency interferes with the bulk RAFT polymerization rate and microstructural control

De Rybel, N.; Van Steenberge, P.; Reyniers, M.-F.; D’hooge, D.R.; Marin, G.B.

Chemical Engineering Science

177 (23), 163–179, 2018
SCI-IF: 2.895 (2016), ranking: 32/135, quartile: Q1
doi: 10.1016/j.ces.2017.11.043

Effect of composition and preparation of supported MoO3 catalysts for anisole hydrodeoxygenation

Ranga, C.; Lødeng, R.; Alexiadis, V.; Rajkhowa, T.; Bjørkan, H.; Chytil, S.; Svenum, I. H.; Walmsley, J.; Detavernier, C.; Poelman, H.; Van Der Voort, P.; Thybaut, J.W.

Chemical Engineering Journal

335, 120-132, 2018
SCI-IF: 6.216 (2016), ranking: 6/135, quartile: Q1
doi: 10.1016/j.cej.2017.10.090

Bifunctional Co - and Ni- ferrites for catalyst-assisted chemical looping with alcohols

Dharanipragada A.; Galvita, V.V.; Poelman, H.; Buelens, L.C.; Detavernier, C.; Marin, G.B.

Applied Catalysis B: Environmental

222, 59-72, 2018
SCI-IF: 8.328 (2016), ranking: 3/135, quartile: Q1
doi: 10.1016/j.apcatb.2017.09.067

Ab initio calculations to understand RAFT exchange: the case of 2-cyano-2-propyl dodecyl trithiocarbonate and styrene

Desmet, G.; De Rybel, N.; Van Steenberge, P.; D’hooge, D.R.; Reyniers, M.-F.; Marin, G.B.

Macromolecular Rapid Communications

39 (2), 2018
SCI-IF: 4.265 (2016), ranking: 9/86, quartile: Q1
doi: 10.1002/marc.201700403

CoatAlloy Barrier Coating for Reduced Coke Formation in Steam Cracking Reactors: Experimental Validation and Simulations

Olahova, N.; Symoens, S.H.; Djokic, M.R.; Ristic, N.D.; Sarris, S.A.; Couvrat, M.; Riallant, F.; Chasselin, H.; Reyniers, M.-F.; Van Geem, K.M.

Industrial & Engineering Chemistry Research

57 (3), 897−907, 2018
SCI-IF: 2.567 (2016), ranking: 34/135, quartile: Q2
doi: 10.1021/acs.iecr.7b04271

Modeling of RAFT Copolymerization with Crosslinking of Styrene/Divinylbenzene in Supercritical Carbon Dioxide

Lopez-Dominguez, P.; Hernández-Ortiz, J.C.; Vivaldo-Lima, E.

Macromolecular Theory and Simulations

27 (1), 1700064, 2018
SCI-IF: 1.724 (2016), ranking: 37/86, quartile: Q2
doi: 10.1002/mats.201700064

Application of Py-GC/MS coupled with PARAFAC2 and PLS-DA to study fast pyrolysis of genetically engineered poplars

Van Geem, K.M.; Marin, G.B.; Pilate, G.; Toraman, H.E.; Abrahamsson, V.; Boerjan, W.; Ronsse, F.; Vanacker, R.; Vanholme, R.

Journal of analytical and applied pyrolysis

129, 101-111, 2018
SCI-IF: 3.471 (2016), ranking: 14/76, quartile: Q1
doi: 10.1016/j.jaap.2017.11.022

Ab-Initio-Based Kinetic Modeling to Understand RAFT Exchange: The Case of 2-Cyano-2-Propyl Dodecyl Trithiocarbonate and Styrene

Desmet, G.; De Rybel, N.; Van Steenberge, P.; D’hooge, D.R.; Reyniers, M.-F.; Marin, G.B.

Macromolecular Rapid Communications

39 (2), 1700403, 2018
SCI-IF: 4.265 (2016), ranking: 9/86, quartile: Q1
doi: 10.1002/marc.201700403

A model of tetrahydrofuran low-temperature oxidation based on theoretically calculated rate constants

Fenard, Y.; Gil, A.; Vanhove, G.; Carstensen, H.-H.; Van Geem, K.M.; Westmoreland, P.R.; Herbinet, O.; Battin-Leclerc, F.

Combustion and Flame

191, 252-269, 2018
SCI-IF: 3.663 (2016), ranking: 18/135, quartile: Q1
doi: 10.1016/j.combustflame.2018.01.006

Kinetics of Homogeneous and Heterogeneous Reactions in the Reductive Aminolysis of Glucose with Dimethylamine

Poissonnier, J.; Pelckmans, M.; Van Waes, F.E.A.; Moonen, K.; Sels, B.; Thybaut, J.W.; Marin, G.B.

Applied Catalysis B: Environmental

227, 161-169, 2018
SCI-IF: 8.328 (2016), ranking: 3/135, quartile: Q1
doi: 10.1016/j.apcatb.2018.01.025

Compositional Characterization of Pyrolysis Fuel Oil from Naphtha and Vacuum Gas Oil

Ristic, N.D.; Djokic, M.R.; Delbeke, E.; Gonzáles-Quiroga, A.; Stevens, C.V.; Van Geem, K.M.; Marin, G.B.

Energy & Fuels

32 (2), 1276-1286, 2018
SCI-IF: 3.091 (2016), ranking: 27/135, quartile: Q1
doi: 10.1021/acs.energyfuels.7b03242

Non-Isothermal Modeling of Dark Current-Voltage Measurements of a CIGS Solar Cell

Obradovic, A.; Toch, K.; Coppens, B.; Khelifi, S.; Lauwaert, J.; Thybaut, J.W.

ECS Journal of Solid State Science and Technology

7 (2), 50-54, 2018
SCI-IF: 1.787 (2016), ranking: 68/148, quartile: Q2
doi: 10.1149/2.0101802jss

Coking Tendency of 25Cr-35Ni Alloys: Influence of Temperature, Sulfur Addition, and Cyclic Aging

Olahova, N.; Sarris, S.A.; Reyniers, M.-F.; Marin, G.B.; Van Geem, K.M.

Industrial & Engineering Chemistry Research

57 (9), 3138-3148, 2018
SCI-IF: 2.567 (2016), ranking: 34/135, quartile: Q2
doi: 10.1021/acs.iecr.7b04719

The role of water in the reusability of aminated silica catalysts for aldol reactions

De Vylder, A.; Lauwaert, J.; Esquivel, D.; Poelman, D.; De Clercq, J.; Van Der Voort, P.; Thybaut, J.W.

Journal of Catalysis

361, 51-61, 2018
SCI-IF: 6.844 (2016), ranking: 5/135, quartile: Q1
doi: 10.1016/j.jcat.2018.02.016

PdZn nanoparticle catalyst formation for ethanol dehydrogenation: active metal impregnation vs incorporation

De Waele, J.; Galvita, V.V.; Poelman, H.; Detavernier, C.; Thybaut, J.W.

Applied Catalysis A General

555, 12-19, 2018
SCI-IF: 3.942 (2014), ranking: 22/221, quartile: Q1
doi: 10.1016/j.apcata.2018.02.005

Insight in kinetics from pre-edge features using time resolved in situ XAS

Dharanipragada A.; Galvita, V.V.; Poelman, H.; Buelens, L.C.; Longo, A.; Marin, G.B.

AIChE Journal

64 (4), 1339-1349, 2018
SCI-IF: 2.836 (2016), ranking: 35/135, quartile: Q2
doi: 10.1002/aic.16017

On the mechanisms of secondary flows in a Gas Vortex Unit

Niyogi, K.; Torregrosa, M.M.; Shtern, V.N.; Marin, G.B.; Heynderickx, G.J.

AIChE Journal

64 (5), 1859-1873, 2018
SCI-IF: 2.836 (2016), ranking: 35/135, quartile: Q2
doi: 10.1002/aic.16087

Numerical and experimental evaluation of heat transfer in helically corrugated tubes

Van Cauwenberge, D.J.; Dedeyne, J.N.; Van Geem, K.M.; Marin, G.B.; Floré, J.

AIChE Journal

64 (5), 1702-1713, 2018
SCI-IF: 2.836 (2016), ranking: 35/135, quartile: Q2
doi: 10.1002/aic.16038

Oil-in-Water Emulsion Impregnated Electrospun Poly(ethylene terephthalate) Fiber Mat as a Novel Tool for Optical Fiber Cleaning

Devlaminck, D.J.G.; Rahman, M.M.; Dash, M.; Samal, K.S.; Watte, j.; Van Vliergerghe, S.; Dubruel, P.

Journal of Colloid and Interface Science

520, 64-69, 2018
SCI-IF: 4233 (2016), ranking: 35/146, quartile: Q1
doi: 10.1016/j.jcis.2018.02.035

Enhancing zeolite performance via novel architectures in a mesoscale continuous flow Diels-Alder process

Seghers, S.; Lefevere, J.; Mullens, S.; De Vylder, A.; Thybaut, J.W.; Stevens, C.V.

ChemSusChem

11, 1-9, 2018
SCI-IF: 7.226 (2016), ranking: 24/166, quartile: Q1
doi: 10.1002/cssc.201800362

Automated Reaction Database and Reaction Network Analysis: Extraction of Reaction Templates using Cheminformatics

Plehiers, P.; Marin, G.B.; Stevens, C.V.; Van Geem, K.M.

Journal of Cheminformatics

10 (11), 2018
SCI-IF: 4220 (2016), ranking: 35/166, quartile: Q1
doi: 10.1186/s13321-018-0269-8

Detailed experimental and kinetic modeling study of cyclopentadiene pyrolysis in the presence of ethene

Vervust, A.J.; Djokic, M.R.; Merchant, S.S.; Carstensen, H.-H.; Long, A.E.; Marin, G.B.; Green, W.H.; Van Geem, K.M.

Energy & Fuels

32 (3), 3920-3934, 2018
SCI-IF: 3.091 (2016), ranking: 27/135, quartile: Q1
doi: 10.1021/acs.energyfuels.7b03560

Catalyst-assisted chemical looping auto-thermal dry reforming: Spatial structuring effects on process efficiency

Hu, J. W.; Galvita, V.V.; Poelman, H.; Detavernier, C.; Marin, G.B.

Applied Catalysis B: Environmental

231, 123-136, 2018
SCI-IF: 9.446 (2016), ranking: 1/49, quartile: Q1
doi: 10.1016/j.apcatb.2018.03.004

Catalytic Reductive Aminolysis of Reducing Sugars: Elucidation of Reaction Mechanism

Pelckmans, M.; Mihaylov, T.; Faveere, W.; Poissonnier, J.; Van Waes, F.E.A.; Moonen, K.; Marin, G.B.; Thybaut, J.W.; Pierloot, K.; Sels, B

ACS Catalysis

8, 4201-4212, 2018
SCI-IF: 10.614 (2016), ranking: 11/146, quartile: Q1
doi: 10.1021/acscatal.8b00619

Ab-initio derived group additivity model for intramolecular hydrogen abstraction reactions

Van de Vijver, R.; Sabbe, M.K.; Reyniers, M.-F.; Van Geem, K.M.; Marin, G.B.

PCCP

20, 10877-10894, 2018
SCI-IF: 4.123 (2016), ranking: 38/146, quartile: Q2
doi: 10.1039/C7CP07771H

Fast pyrolysis oil stabilization kinetics over a Ni-Cu catalyst using propionic acid as a model compound

Otyuskaya, D.; Thybaut, J.W.; Alexiadis, V.; Alekseeva, M.; Venderbosch, R.; Yakovlev, V.; Marin, G.B.

Applied Catalysis B: Environmental

233 (5), 46-57, 2018
SCI-IF: 9.446 (2016), ranking: 1/49, quartile: Q1
doi: 10.1016/j.apcatb.2018.03.062

Analytical and advanced kinetic models for characterization of chain-growth copolymerization: the state-of-the-art

Fierens, S.; Van Steenberge, P.; Reyniers, M.-F.; D'hooge, D.; Marin, G.B.

Reaction Chemistry & Engineering

3, 128-145, 2018
doi: 10.1039/c7re00206h

Prediction of the PIONA and oxygenate composition of unconventional fuels with the Pseudo-Component Property Estimation (PCPE)

Tipler, S.; Parente, A.; Coussement, A.; Contino, F.; Symoens, S.H.; Djokic, M.R.; Van Geem, K.M.

SAE International Journal of Fuels and Lubricants

2018
doi: doi:10.4271/2018-01-0905

Ni nanoparticles and the Kirkendall effect in dry reforming of methane

Pegios, N.; Bliznuk, V; Theofanidis, S.A.; Galvita, V.V.; Marin, G.B.; Palkovits, R.; Simeonov, K.

Applied Surface Science

452 (15), 239-247, 2018
SCI-IF: 3387 (2016), ranking: 46/146, quartile: Q2
doi: doi:10.1016/j.apsusc.2018.04.229

Fe-Based Nano-Materials in Catalysis

Theofanidis, S.A.; Galvita, V.V.; Konstantopoulos, C.; Poelman, H.; Marin, G.B.

Materials

11 (5), 831, 2018
SCI-IF: 2.651 (2014), ranking: 54/259, quartile: Q1
doi: doi:10.3390/ma11050831

CO Adsorption Site Preference on Platinum: Charge Is the Essence

Gunasooriya, G.T.K.K.; Saeys, M.

ACS Catalysis

8 (5), 3770, 2018
SCI-IF: 10.614 (2016), ranking: 11/146, quartile: Q1
doi: 10.1021/acscatal.8b00214

Analysis of volume‐to‐surface ratio effects on methane oxidative coupling using microkinetic modeling

Alexiadis, V.; Serres, T.; Marin, G.B.; Mirodatos, C.; Thybaut, J.W.; Schuurman, Y.

AIChE Journal

2018
SCI-IF: 2.836 (2016), ranking: 35/135, quartile: Q2
doi: 10.1002/aic.16152

An Evaluation of the Impact of SG1 Disproportionation and the Addition of Styrene in NMP of Methyl Methacrylate

Fierens, S.; Van Steenberge, P.; Vermeire, F.; Reyniers, M.-F.; Marin, G.B.; D’hooge, D.R.

AIChE Journal

SCI-IF: 2.836 (2016), ranking: 35/135, quartile: Q2
doi: 10.1002/aic.16111

Upgrading the value of anaerobic digestion via chemical production from grid injected biomethane

Verbeeck, K.; Buelens, L.C.; Galvita, V.V.; Marin, G.B.; Van Geem, K.M.; Rabaey, K.

Energy & Environmental Science

doi: 10.1039/C8EE01059E

Synthesis and biological evaluation of bolaamphiphilic sophorolipids

L. K. W.; Soetaert, W.; Van Bogaert, I. N. A.; Van Geem, K.M.; Stevens, C.V.

ACS Sustainable Chemistry & Engineering

SCI-IF: 6708 (2016), ranking: 26/166, quartile: Q1
doi: 10.1021/acssuschemeng.8b01354

Evaluation of biological properties and fate in the environment of a new class of biosurfactants

Liwarska-Bizukoj, E.; Olejnik, D.; Delbeke, E.; Van Geem, K.M.; Stevens, C.V.

Chemosphere

200 (/), 561-568, 2018
doi: 10.1016/j.chemosphere.2018.02.145

Fe-Containing Magnesium Aluminate Support for Stability and Carbon Control during Methane Reforming

Theofanidis, S.A.; Galvita, V.V.; Poelman, H.; Dharanipragada A.; Longo, A.; Meledina, M.; Tendeloo, G.; Detavernier, C.; Marin, G.B.

ACS Catalysis

8, 5983–5995, 2018
SCI-IF: 10.614 (2016), ranking: 11/146, quartile: Q1
doi: 10.1021/acscatal.8b01039

Experimental and Kinetic Modeling Study of Cyclohexane Pyrolysis

Khandavilli, M.; Djokic, M.R.; Vermeire, F.; Carstensen, H.-H.; Van Geem, K.M.; Marin, G.B.

Energy & Fuels

32, 7153−7168, 2018
SCI-IF: 3.091 (2016), ranking: 27/135, quartile: Q1
doi: 10.1021/acs.energyfuels.8b00966

Simulation of the degradation of cyclic ketene acetal and vinyl based copolymers synthesized via a radical process: influence of the reactivity ratios on the degradability properties

Gigmes, D.; Van Steenberge, P.; Diri, D.; D'hooge, D.R.; Guiilaneuf, Y.; Lefay, C.

Macromolecular Rapid Communications

1800193, 1-7, 2018
SCI-IF: 4.441 (2017), ranking: 9/87, quartile: Q1
doi: 10.1002/marc.201800193

Evaluating and predicting mechanisms of adhesive degradation in ethylene vinyl acetate encapsulation during field and accelerated aging

Tracey, J.; D’hooge, D.R.; Olston, N.; Delgado, N.; Dauskardt, R.

Progress in Photovoltaics

2018
SCI-IF: 6.456 (2017), ranking: 10/97, quartile: Q1
doi: 10.1002/pip.3045

In silico tracking of individual species accelerating progress in macromolecular engineering and design

D’hooge, D.R.

Macromolecular Rapid Communications

1800057, 1-5, 2018
SCI-IF: 4.441 (2017), ranking: 9/87, quartile: Q1
doi: 10.1002/marc.201800057

Facile and low-cost route for sensitive stretchable sensors by controlling kinetic and thermodynamic conductive network regulating strategies

Duan, L.; D’hooge, D.R.; Spoerk, M.; Cornillie, P.; Cardon, L.

ACS Applied Materials & Interfaces

10 (26), 22678–22691, 2018
SCI-IF: 8.106 (2017), ranking: 15/92, quartile: Q1
doi: 10.1021/acsami.8b03967

Advanced Chemical Looping Materials for CO2 Utilization: A Review

Hu, J. W.; Galvita, V.V.; Poelman, H.; Marin, G.B.

Materials

11 (7), 1187, 2018
SCI-IF: 2.651 (2014), ranking: 54/259, quartile: Q1
doi: 10.3390/ma11071187

The relevance of material and processing parameters on the thermal conductivity of thermoplastic composites

Wieme, T.; Tang, D.; Delva, L.; D'hooge, D.R.; Cardon, L.

Polymer Engineering and Science

58 (4), 466-474, 2018
SCI-IF: 1.551 (2017), ranking: 75/137, quartile: Q3
doi: 10.1002/pen.24667

New invariances for chemical reactions from Scaled Incremental Conversion (SIC)

Pinto, D.B.; Yablonsky, G.S.; Marin, G.B.; Constales, D.

Chemical Engineering Science

184, 25-32, 2018
SCI-IF: 3.306 (2017), ranking: 29/137, quartile: Q1
doi: doi.org/10.1016/j.ces.2018.02.020

Ultrafast and Stable CO2 Capture Using Alkali Metal Salt-Promoted MgO-CaCO3 Sorbents

Cui, H.J.; Zhang, Q.; Hu, J. W.; Peng, W.; Fang, X.; Cheng, Z.-M.; Galvita, V.V.; Zhou, H.

ACS Applied Materials & Interfaces

10 (24), 20611-20620, 2018
SCI-IF: 8.106 (2017), ranking: 15/92, quartile: Q1
doi: 10.1021/acsami.8b05829

Kinetics of Lifetime Changes in Bimetallic Nanocatalysts Revealed by Quick X-ray Absorption Spectroscopy

Filez, M.; Poelman, H.; Redekop, E.; Galvita, V.V.; Alexopoulos, K.; Meledina, M.; Ramachandran, R.K.; Dendooven, J.; Detavernier, C.; Van Tendeloo, G.; Safonova, O.V.; Nachtegaal, M.; Weckhuysen, B.M.; Marin, G.B.

Angewandte Chemie - International Edition

2018
SCI-IF: 12.102 (2017), ranking: 14/171, quartile: Q1
doi: 10.1002/anie.201806447

Mechanisms of jet instability: role of deceleration

Shtern, V.N.

Fluid Dynamics Research

50 (5), 2018
SCI-IF: 1405 (2017), ranking: 109/134, quartile: Q4
doi: 10.1088/1873-7005/aab0fc

Operational range of a Gas-Solid Vortex Unit

Friedle, M.; Marin, G.B.; Heynderickx, G.J.

Powder Technology

338, 702-715, 2018
SCI-IF: 3.23 (2017), ranking: 30/137, quartile: Q1
doi: 10.1016/j.powtec.2018.07.062

Computational Fluid Dynamics-Assisted Process Intensification Study for Biomass Fast Pyrolysis in a Gas−Solid Vortex Reactor

Kulkarni, S.R.; Vandewalle, L.A.; Gonzáles-Quiroga, A.; Perreault, P.; Heynderickx, G.J.; Van Geem, K.M.; Marin, G.B.

Energy & Fuels

2018
SCI-IF: 3.024 (2017), ranking: 36/137, quartile: Q2
doi: 10.1021/acs.energyfuels.8b01008

Decomposition and isomerization of 1-pentanol radicals and the pyrolysis of 1-pentanol

Van de Vijver, R.; Van Geem, K.M.; Marin, G.B.; Zádor, J.

Combustion and Flame

196, 500-514, 2018
SCI-IF: 4.494 (2017), ranking: 17/137, quartile: Q1
doi: 10.1016/j.combustflame.2018.05.011

First principle study of chain termination reactions during Fischer-Tropsch synthesis on -Fe5C2(010)

Rivera de la Cruz, J. G.; Sabbe, M.K.; Reyniers, M.-F.

Molecular Catalysis

453, 55-63, 2018
SCI-IF: 3465 (2017), ranking: 145/146, quartile: Q4
doi: 10.1016/j.mcat.2018.04.032

Design of a Mesoscale Continuous‐Flow Route toward Lithiated Methoxyallene

Seghers, S.; Heugebaert T.S.A.; Moens, M.; Sonck, J.; Thybaut, J.W.; Stevens, C.V.

ChemSusChem

11 (13), 2248-2254, 2018
SCI-IF: 7.226 (2016), ranking: 24/166, quartile: Q1
doi: 10.1002/cssc.201800760

Constructing a rational kinetic model of the selective propane oxidation over a mixed metal oxide catalyst

Sprung, C.; Yablonsky, G.S.; Schögl, R.; Trunschke, A.

Catalysts

8 (8), 2018
SCI-IF: 3465 (2017), ranking: 55/146, quartile: Q2
doi: 10.3390/catal8080330

Modeling of Thermodynamics of Substituted Toluene Derivatives and Benzylic Radicals Via Group Additivity

nce, A.; Carstensen, H.-H.; Sabbe, M.K.; Reyniers, M.-F.; Marin, G.B.

AIChE Journal

2018
SCI-IF: 3.326 (2017), ranking: 28/137, quartile: Q1
doi: 10.1002/aic.16350

Sensitivity analysis of single-phase isothermal free radical induced grafting of polyethylene

Hernández-Ortiz, J.C.; Van Steenberge, P.; Duchateau, J.N.E.; Toloza, C.; Schreurs, F.; Reyniers, M.-F.; Marin, G.B.; D’hooge, D.R.

Macromolecular Theory and Simulations

2018
SCI-IF: 1646 (2017), ranking: 45/87, quartile: Q3
doi: 10.1002/mats.201800036