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