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

Efficient Continuous-Flow Bromination of Methylsulfones and Methanesulfonates and Continuous Synthesis of Hypobromite

Van Waes, F.E.A., Seghers, S., Dermaut, W., Cappuyns, B., Stevens, C.V.

J. Flow Chem.

4 (3), 118-124, 2014, SCI-IF: 2.406 (2013)

Vanadium Metal-Organic Frameworks: Structures and Applications

Van Der Voort, P., Leus, K., Liu, Y.Y., Vandichel, M., Van Speybroeck, V., Waroquier, M., Biswas, S.

New Journal of Chemistry

38, 1853-1867, 2014, SCI-IF: 3.159 (2013)

Metal-Organic Frameworks as selective or chiral oxidation catalysts

Leus, K., Liu Y.Y., Van Der Voort, P.

Catalysis Reviews: Science and Engineering

56, 1-56, 2014, SCI-IF: 6.875

A Mo(VI) grafted Metal Organic Framework: synthesis, characterization and catalytic investigations

Leus, K., Liu Y.Y., Meledina, M., Turner, S., Van Tendeloo, G., Van Der Voort, P.

Journal of Catalysis

316, 201–209, 2014, SCI-IF: 6.073 (2013)

pH-Triggered Formation of nanoribbons from yeast-derived glycolipid Surfactants

Cuvrer, A.-S., Berton, J., Stevens, C., Fadda, G.C., Babonneau, F., Van Bogaert, I.N.A., Soetaert, W., Pehau-Arnaudet, G., Baccile, N.

Soft Matter

10, 3950-3959, 2014, SCI-IF: 4.151 (2013)

Silanol assisted aldol condensation on aminated silica: Understanding the arrangement of functional groups

Lauwaert, J.; De Canck, E.; Esquivel, D.; Thybaut, J.W.; Van Der Voort, P.; Marin, G.B.

Chemcatchem

6, 255-264, 2014
SCI-IF: 26/135 (26/135)
doi: 10.1002/cctc.201300742

Swirl flow tube reactor technology: an experimental and computational fluid dynamics study

Schietekat, C.M.; Van Goethem, M.; Van Geem, K.M.; Marin, G.B.

Chemical Engineering Journal

238, 56-65, 2013
SCI-IF: 3.473 (2012)
doi: 10.1016/j.cej.2013.08.086

Bed stability and maximum solids capacity in a Gas-Solid Vortex Reactor: Experimental study

Kovacevic, J.; Pantzali, M.N.; Heynderickx, G.J.; Marin, G.B.

Chemical Engineering Science

106, 293-303, 2014
SCI-IF: 26/133 (26/133)
doi: 10.1016/j.ces.2013.11.018

GPU based simulation of reactive mixtures with detailed chemistry in combination with tabulation and an analytical Jacobian

Dijkmans, T.; Schietekat, C.M.; Van Geem, K.M.; Marin, G.B.

Computers & Chemical Engineering

71, 521-531, 2014
SCI-IF: 2.784 (2014), ranking: 15/102, quartile: Q1
doi:10.1016/j.compchemeng.2014.09.016

Computational Fluid Dynamics based design of finned steam cracking reactors

Schietekat, C.M.; Van Cauwenberge, D.J.; Van Geem, K.M.; Marin, G.B.

AIChE Journal

60, 794-808, 2014
SCI-IF: Q1
doi: DOI 10.1002/aic.14326

Ion-exchange resin catalyzed transesterification of Ethyl Acetate with Methanol: gel versus Ion-exchange resin catalyzed transesterification of Ethyl Acetate with Methanol: gel versus macroporous resins

Van de Steene, E.; De Clercq, J.; Thybaut, J.W.

Chemical Engineering Journal

242, 170-179, 2014
SCI-IF: 3.473 (2012)
doi: 10.1016/j.cej.2013.12.025

A Single-Event MicroKinetic Assessment of n-Alkane Hydroconversion on Ultrastable Y Zeolites after Atomic Layer Deposition of Alumina

Vandegehuchte, B.D.; Thybaut, J.W.; Detavernier, C.; Deduytsche, D.; Dendooven, J.; Sree, S.P.; Korànyi, T.I.; Martens, J.A.; Marin, G.B.

Journal of Catalysis

311, 433-446, 2014
SCI-IF: 5.787 (2012)
doi: 10.1016/j.jcat.2013.12.019

Oxidative coupling of methane: catalytic behaviour assessment via comprehensive kinetic modelling

Alexiadis, V.; Thybaut, J.W.; Kechagiopoulos, P.N.; Chaar, M.; Van Veen, A.; Muhler, M.; Marin, G.B.

Applied Catalysis B: Environmental

150, 496-505, 2014
SCI-IF: 5.825 (2012)
doi: 10.1016/j.apcatb.2013.12.043

Simulation of the coking phenomenon in the superheater of a steam cracker

Mahulkar, A.V.; Heynderickx, G.J.; Marin, G.B.

Chemical Engineering Science

110, 31-43, 2014
SCI-IF: 2.386 (2012)
doi: dx.doi.org/10.1016/j.ces.2013.08.021

Pyridine hydrodenitrogenation over industrial NiMo/yAl2O3 catalyst: Application of gas phase kinetic models to liquid phase reactions

Raghuveer, C .S.; Thybaut, J.W.; De Bruycker, R.; Metaxas, K.; Bera, T.; Marin, G.B.

Fuel

125, 206-218, 2014
SCI-IF: 3.357 (2014), rating: 11/133, quartile: Q1
doi: http://dx.doi.org/10.1016/j.fuel.2014.02.017

Improved Kinetic Monte Carlo Simulation of Chemical Composition-Chain Length Distributions in Polymerization Processes

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

Chemical Engineering Science

110 (3), 185-199, 2014
SCI-IF: 2.386 (2012), rating: 26/133, quartile: Q1
doi: 10.1016/j.ces.2014.01.019

In situ XAS and XRF study of nanoparticle nucleation during O3-based Pt deposition

Filez, M.; Poelman, H.; Ramanchandran, K.R.; Dendooven, J.; Devloo-Casier, K.; Fonda, E.; Detavernier, C.; Marin, G.B.

Catalysis Today

229, 2-13, 2014
SCI-IF: 2.980 (2012)
doi: 10.1016/j.cattod.2014.01.011

Elucidating complex catalytic mechanisms based on transient pulse-response kinetic data

Redekop, E.; Yablonsky, G.S.; Constales, D.; Ramachandran, P.A.; Gleaves, J.T.; Marin, G.B.

Chemical Engineering Science

110, 20-30, 2014
SCI-IF: 2.386 (2012)
doi: 10.1016/j.ces.2013.11.050

The C-matrix: Augmentation and reduction in the analysis of chemical composition and structure

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

Chemical Engineering Science

110, 164-168, 2014
SCI-IF: 2.386 (2012)
doi: 10.1016/j.ces.2013.09.043

Fed-batch control and visualization of monomer sequences of individual ICAR ATRP gradient copolymer chains

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

Polymers Basel

6, 1074-1095, 2014
SCI-IF: 1.687 (2012)
doi: 10.3390/polym6041074

Controlled synthesis of poly(BMA-co-BA) via ARGET ATRP: insights and improvement

Payne, K.A.; Van Steenberge, P.; D’hooge, D.R.; Reyniers, M.-F.; Marin, G.B.; Hutchinson, R.A.; Cunningham, M.F.;

Polymer International

63 (5), 848-857, 2014
SCI-IF: 2.125 (2012), rating: 25/83, quartile: Q2
doi: 10.1002/pi.4678

Delivering a modifying element to metal nanoparticles via support: Pt-Ga alloying during the reduction of Pt/Mg(Al,Ga)Ox and its effects on propane dehydrogenation

Redekop, E.; Galvita, V.V.; Poelman, H.; Bliznuk, V; Detavernier, C.; Marin, G.B.

ACS Catalysis

4, 1812 − 1824, 2014
doi: dx.doi.org/10.1021/cs500415e

Detailed compositional characterization of plastic waste pyrolysis oil by comprehensive two-dimensional gas-chromatography coupled to multiple detectors

Toraman, H.E.; Dijkmans, T.; Djokic, M.R.; Van Geem, K.M.; Marin, G.B.

Journal of Chromatography A

1359, 237-246, 2014
SCI-IF: 4.258 (2013), quartile: Q1
doi: 10.1016/j.chroma.2014.07.017

TAP study of toluene total oxidation over a Co3O4/La-CeO2 catalyst with an application as a washcoat of cordierite honeycomb monoliths

Gomez, D.M.; Galvita, V.V.; Gatica, J.M.; Vidal, H.; Marin, G.B.

Physical Chemistry Chemical physics

16, 11447-11455, 2014
SCI-IF: 4.198 (2013)
doi: 10.1039/c4cp00886c

ICAR ATRP for estimation of intrinsic macro-activation/deactivation Arrhenius parameters under polymerization condition

Toloza, C.; D’hooge, D.R.; Van Steenberge, P.; Reyniers, M.-F.; Marin, G.B.

Industrial & Engineering Chemistry Research

53, 9674-9685, 2014
SCI-IF: 2.235 (2013)
doi: 10.1021/ie5007596

RAFT–Mediated Ab initio Emulsion Copolymerization of 1,3-butadiene with acrylonitrile

Hlalele, L.; D’hooge, D.R.; Dürr, C.; Andreas, S.; Brandau, S.; Barner-Kowollik, C.

Macromolecules

47 (9), 2820–2829, 2014
SCI-IF: 5.927 (2013)
doi: 10.1021/ma500055q

Influence of the reactor material composition on coke formation during ethane steam cracking

Muñoz, A.E.; Van Geem, K.M.; Reyniers, M.-F.; Marin, G.B.

Industrial & Engineering Chemistry Research

53 (15), 6358–6371, 2014
SCI-IF: 2.235 (2013)
doi: 10.1021/ie500391b

Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by carbon-centered radicals

Paraskevas, P.; Sabbe, M.K.; Reyniers, M.-F.; Papayannakos, N.; Marin, G.B.

ChemPhysChem

15, 1849-1866, 2014
SCI-IF: 3.360 (2013)
doi: 10.1002/cphc.201400039

Special Issue MACKIE-2013 "Pushing the Boundaries" Preface

Pushpavanam, S.; Marin, G.B.

Chemical Engineering Science

110, 1, 2014
SCI-IF: 4.058 (2013)
doi: 10.1016/j.ces.2014.02.026

Oxidative coupling of methane: A microkinetic model accounting for intraparticle surface-intermediates concentration profiles

Kechagiopoulos, P.N.; Thybaut, J.W.; Marin, G.B.

Industrial & Engineering Chemistry Research

53, 1825-1840
SCI-IF: 2.206 (2012)
doi: 10.1021/ie403160s

An Integrated Stefan-maxwell, Mean Field and Single-event Microkinetic Methodology for Simultaneous Diffusion and Reaction Inside Microporous Materials

Vandegehuchte, B.D.; Choudhury, I.R.; Thybaut, J.W.; Martens, J.A.; Marin, G.B.

Journal of Physical Chemistry C

118 (38), 22053-22068, 2014
SCI-IF: 4.835 (2013)
doi: 10.1021/jp506056r

Modeling of capacitance transients of thin-film solar cells: A valuable tool to gain information on perturbing layers or interfaces

Lauwaert, J.; Lauwaert, J.; Van Puyvelde, L.; Thybaut, J.W.; Vrielinck, H.;

Applied Physics Letters

104, 053502-01-053502-04, 2014
SCI-IF: 3.515 (2013)
doi: 10.1063/1.4863831

Kinetic Modeling of α-Hydrogen Abstractions from Unsaturated and Saturated Oxygenate Compounds by Hydrogen Atoms

Paraskevas, P.; Sabbe, M.K.; Reyniers, M.-F.; Papayannakos, N.; Marin, G.B.;

Journal of Physical Chemistry A

118 (40), 9296–9309, 2014
SCI-IF: 2.775 (2013), rating: 50/136, quartile: Q2
doi: 10.1021/jp503570e

Catalytic Fast Pyrolysis of Pine Wood: Effect of Successive Catalyst Regeneration

Yildiz, G.; Lathouwers, T.; Toraman, H.E.; Van Geem, K.M.; Marin, G.B.; Ronsse, F.; Van Duren, R.; Kersten, S.R.A.; Prins, W.

Energy & Fuels

28 (7), 4560-4572, 2014
SCI-IF: 2.733 (2013)
doi: 10.1021/ef500636c

Coking Resistance of Specialized Coil Materials During Steam Cracking of Sulfur-Free Naphtha

Muñoz, A.E.; Van Geem, K.M.; Reyniers, M.-F.; Marin, G.B.

Industrial & Engineering Chemistry Research

53, 13644−13655, 2014
SCI-IF: 2.235 (2013)
doi: 10.1021/ie502277e

Unraveling Diffusion and Other Shape Selectivity Effects in ZSM5 using n-Hexane Hydroconversion Single-Event MicroKinetics

Vandegehuchte, B.D.; Thybaut, J.W.; Marin, G.B.

Industrial and engineering chemistry research

53 (40), 15333–15347, 2014
SCI-IF: 2.206 (2012), rating: 30/133, quartile: Q1
doi: 10.1021/ie500164q

An experimental and kinetic modeling study of cyclopentadiene pyrolysis: First growth of polycyclic aromatic hydrocarbons

Djokic, M.R.; Van Geem, K.M.; Cavallotti, C.; Frassoldati, A.; Ranzi, E.; Marin, G.B.

Combustion and Flame

161, 2739-2751, 2014
SCI-IF: 3.708 (2012), rating: 5/126, quartile: Q1
doi: 10.1016/j.combustflame.2014.04.013

Experimental and Theoretical Methods in Kinetic Studies of Heterogeneously Catalyzed Reactions

Reyniers, M.-F.; Marin, G.B.

Annual Review of Chemical and Biomolecular Engineering

5, 563-594, 2014
SCI-IF: 8.109 (2013)
doi: 10.1146/annurev-chembioeng-060713-040032

Experimental and modeling study on the thermal decomposition of Jet Propellant-10

Vandewiele, N.M.; Magoon, G.; Van Geem, K.M.; Reyniers, M.-F.; Green, W.H.; Marin, G.B.;

Energy & Fuels

28, 4976-4985, 2014
SCI-IF: 2.733 (2013)
doi: 10.1021/ef500936m

Combined comprehensive two-dimensional gas chromatographic analysis of PAH/PASH compounds in complex matrices

Dijkmans, T.; Van Geem, K.M.; Djokic, M.R.; Marin, G.B.

Industrial & Engineering Chemistry Research

53 (40), 15436-15446, 2014
SCI-IF: 2.235 (2013), ranking: 36/133, quartile: Q2
doi: 10.1021/ie5000888

Periodic DFT study of benzene adsorption on Pd(100) and Pd(110) at medium and saturation coverage

Canduela-Rodriguez, G.; Sabbe, M.K.; Reyniers, M.-F.; Joly, J.-F.; Marin, G.B.

Journal of Physical Chemistry C

118, 21483−21499, 2014
SCI-IF: 4.835 (2013), ranking: 29/251, quartile: Q1
doi: 10.1021/jp506158c

Thermodynamic study of benzene and hydrogen coadsorption on Pd(111)

Canduela-Rodriguez, G.; Sabbe, M.K.; Reyniers, M.-F.; Joly, J.-F.; Marin, G.B.

Physical Chemistry Chemical Physics

16, 23754-23768, 2014
SCI-IF: 4.198 (2013), ranking: 5/33, quartile: Q1
doi: 10.1039/C4CP02991G

Unravelling the formation of Pt-Ga alloyed nanoparticles on calcined Ga-modified hydrotalcites by in situ XAS

Filez, M.; Redekop, E.; Poelman, H.; Galvita, V.V.; Ramanchandran, K.R.; Dendooven, J.; Detavernier, C.; Marin, G.B.

Chemistry of Materials

26 (20), 5936–5949, 2014
SCI-IF: 8.535 (2013), ranking: 16/251, quartile: Q1
doi: 10.1021/cm502658d

The Role of Different Types of CuO in CuO–CeO2/Al2O3 for Total Oxidation

Galvita, V.V.; Filez, M.; Poelman, H.; Bliznuk, V; Marin, G.B.

Catalysis Letters

144 (1), 32-43, 2014
SCI-IF: 2.291 (2013), ranking: 62/136, quartile: Q2
doi: 10.1007/s10562-013-1144-x

4-Dimensional Modeling Strategy for an Improved Understanding of Miniemulsion NMP of Acrylates Initiated by SG1-Macroinitiator

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

Macromolecules

47 (22), 7732–7741, 2014
SCI-IF: 5.927 (2013), ranking: 3/82, quartile: Q1
doi: 10.1021/ma501746r

Assessing the potential of crude tall oil for the production of green-base chemicals: an experimental and kinetic modeling study

De Bruycker, R.; Anthonykutty, J.M.; Linnekoski, J.; Harlin, A.; Lehtonen, J.; Van Geem, K.M.; Räsänen, J.; Marin, G.B.

Industrial & Engineering Chemistry Research

53, 18430-18442, 2014
SCI-IF: 2.587 (2013), ranking: 27/134, quartile: Q1
doi: 10.1021/ie503505f

Catalytic Cracking of Cycloparaffins Admixed with Olefins: 2. Single-Event Microkinetic (SEMK) Assessment

Xue, G.; Weng, H.; Thybaut, J.W.; Marin, G.B.

China Petroleum Processing and Petrochemical Technology

16 (2), 84-90, 2014
SCI-IF: 0.277 (2014), ranking: 16/20, quartile: Q4