prof. dr. ir. Guy Marin
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Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt
(2016) -
First-Principles Kinetic Model for 2-Methyl-Tetrahydrofuran Pyrolysis and Combustion (Plenary Lecture)
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Detailed kinetic analysis of reversible deactivation radical polymerization
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Understanding and Optimization of Chemical Reactor Performance for Bimodal Reaction Sequences
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Large Eddy Simulation of Enhanced 3D Pyrolysis Reactors
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Microkinetic model validation for the Fischer - tropsch synthesis based on transient experiments
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- conference
- C3
- open access
A gas-solid vortex reactor for the fast pyrolysis of biomass
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Single event microkinetic modeling of lignin fast pyrolysis: a study on anisole as model compound
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Design and construction of an experimental setup for measuring intrinsic kinetics of biomass fast pyrolysis
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Multi-objective optimization of feeding rates and temperature program for nitroxide mediated (co)polymerization of styrene and n-butyl acrylate
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Experimental study on the initial thermal decomposition of resorcinol
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First principles based kinetic model for biomass fast pyrolysis: cyclic model compounds
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From microkinetic understanding to industrial reactor simulation for Fischer-Tropsch synthesis
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Mechanistic Study of of Zeolite Catalyzed Dehydration of Bio-alcohols: Density Functional Theory and Microkinetic Analysis
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Insights into the reaction mechanism of ethanol conversion into hydrocarbons on H-ZSM-5
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Conversion of solid waste to diesel via catalytic pressureless depolymerization: pilot scale production and detailed compositional characterization
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Early stages in the formation and burning of graphene on a Pt/Mg(Al)Ox dehydrogenation catalyst: a temperature- and time-resolved study
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Implementation of stereochemistry in automatic kinetic model generation
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Challenges and opportunities for molecule-based management of chemical processes
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Three-component solids velocity measurements in the outlet section of a riser
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Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates
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Characterization and comparison of fast pyrolysis bio-oils from pinewood, rapeseed cake, and wheat straw using 13C NMR and comprehensive GC × GC
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A single-event microKinetic model for ethylene hydroformylation to propanal on Rh and Co based catalysts
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Kinetic assessment of dry reforming of methane on Pt + Ni containingcomposite of fluorite-like structure
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Quantitative analysis of nitrogen containing compounds in microalgae based bio-oils using comprehensive two-dimensional gas-chromatography coupled to nitrogen chemiluminescence detector and time of flight mass spectrometer
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The role of hydrogen during Pt-Ga nanocatalyst formation
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Pyridine hydrodenitrogenation kinetics over a sulphided NiMo/γ-Al2O3 catalyst
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Carbon gasification from Fe-Ni catalysts for methane dry reforming
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Computational fluid dynamic design of jet stirred reactors for measuring intrinsic kinetics of gas-phase and gas-solid reactions
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Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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Deactivation study of Fe2O3−CeO2 during redox cycles for CO production from CO2
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An experimental and kinetic modeling study of γ-valerolactone pyrolysis
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CO2 conversion to CO by auto-thermal catalyst-assisted chemical looping
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On-line analysis of nitrogen containing compounds in complex hydrocarbon matrixes
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Rate-reactivity model: a new theoretical basis for systematic kinetic characterization of heterogeneous catalysts
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One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation
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Advanced data analysis and modelling in chemical engineering
(2016) -
Modeling of monomer sequences along copolymer chains
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First principles kinetic study on the effect of zeolite framework on 1-butanol dehydration
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DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
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A single-event microKinetic model for the cobalt catalyzed fischer-tropsch synthesis
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Chain transfer in degenerative RAFT polymerization revisited: a comparative study of literature models
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The strength of multi-scale modeling to unveil the complexity of radical polymerization
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Fast pyrolysis oil hydrodeoxygenation
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Microkinetics assisted analysis of hydrotreating selectivities in fast pyrolysis oil upgrading
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Enhanced catalytic performance of Ni-Fe alloy in methane dry reforming: role of Fe
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A Multi-Scale Modelling Platform applied towards Fischer Tropsch Synthesis on Fe catalysts
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Role of anharmonicity in the confinement effect in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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Ab initio molecular dynamics for ethanol asorption in H-ZSM-5
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Quantitative analysis of nitrogen containing compounds in micro-algae based bio-oil using GC × GC – NCD/TOF-MS
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The power of reverse phase comprehensive 2D GC for oxygentate analysis in shale oils (Invited Lecture)
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The role of CO2 in the dehydrogenation of propane over WOx-VOx/SiO2
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Potential of genetically engineered hybrid poplar for pyrolytic production of bio-based phenolic compounds
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In situ performance of various metal doped catalysts in micro-pyrolysis and continuous fast pyrolysis
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Hydrogen and carbon monoxide production by chemical looping over iron-aluminium oxides
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Rule-based ab initio kinetic model for alkyl sulfide pyrolysis
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Kinetic modeling of jet propellant-10 pyrolysis
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When the final catalyst activity profile depends only on the total amount of admitted substance: theoretical proof
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Predicting kinetic dependences and closing the balance: Wei and Prater revisited
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Chemical reaction eEngineering at the Laboratory for Chemical Technology (LCT) of Ghent University
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Catalytic conversion of bioalcohols: from first principles to industrial scale
(2015) -
Pt-Ga catalyst formation studied with in situ XAS using Fourier and wavelet transformed analysis
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Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts
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Gas-Liquid hold-up and mass transfer in a Robinson-Mahoney three phase bench scale reactor at industrially relevant conditions
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Advances in chemical engineering 47: mesoscale modeling in chemical engineering-part II
Guy Marin (UGent) and Jinghai Li(2015) -
Advances in chemical engineering 46: mesoscale modeling in chemical engineering-part I
Guy Marin (UGent) and Jinghai Li(2015) -
Microkinetic model for the pyrolysis of methyl esters: from model compound to industrial biodiesel
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Pyrolysis and combustion chemistry of tetrahydropyran: experimental and modeling study
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Catalytic coating for reduced coke formation in steam cracking reactors
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Independence of the final catalyst activity profile on the details of reactant admission
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- journalArticle
- A1
- open access
New patterns in steady-state chemical kinetics: intersections, coincidences, map of events (two-step mechanism)
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Precise kinetic measurements and spatial uniformity of catalytic beds
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Catalyis for renewable resources: bioalcohol conversion
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Bio-butanol dehydration in zeolites: mechanistic insights from DFT-based microkinetic modeling
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Steam reforming and carbon formation over Ni-Fe-(Pd)/MgAl2O4 catalysts
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Fast pyrolysis oil hydrotreating
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CO2 FTS
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Advanced characterisation of bio feedstocks and Hydrotreating of fast pyrolysis oil
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CO2 FTS
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Fast pyrolysis oil hydrotreating
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Methane reforming over Ni-Fe/MgAl2O4 catalysts
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Design of Pt-based catalysts for the catalytic dehydrogenation of propane
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Catalyis for renewable resources: bioalcohol conversion
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Enhancing catalyst development by intrinsic kinetics screening and modeling
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LCT Pilot plant for steam cracking
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Strength of model-based design for the synthesis of well-defined macromolecular architectures via a radical mechanism
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Structure, adsorption free energy, and spectroscopy of ethanol in HZSM-5
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Catalytic conversion of bioalcohols: from first principles to industrial scale
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Driving on wood! Wood waste valorization for biofuel production
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Volume-to-Surface ratio effects on methane oxidative coupling
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DFT-based modeling of benzene hydrogenation on Pt at industrially representative coverage
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Gas-liquid hold-up and mass transfer in a Robinson-Mahoney three phase bench scale reactor
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Carbon gasification from Fe-Ni catalysts for methane dry reforming
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Unraveling the reaction mechanism of bioethanol conversion to hydrocarbons on H-ZSM-5
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Temperature-programmed vs. isothermal pulsed oxidation of graphene formed on Pt/Mg(Al)Ox dehydrogenation catalysts
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Thermal fouling of heat exchanger tubes due to heavy hydrocarbon droplets impingement
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Vanadium decorated mesoporous supporting materials for catalysis of oxidation reactions
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A multi-scale modelling platform applied towards fischer tropsch synthesis on Fe catalysts
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A comparative study of RAFT polymerization of n-butyl acrylate under microflow and batch conditions
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A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
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Nitroxide mediated polymerization of styrene: from Arrhenius parameters to NMP kinetics and explicit visualization of microstructure
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A comparison of acrylate kinetics in batch and microreactors under RAFT solution polymerization conditions
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A combined experimental and modeling study of the nitroxide mediated polymerization of styrene initiated by BlocBuilderTM
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Design a novel material for catalyst-assisted chemical looping process
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Computational fluid dynamics based design of steam cracking reactors
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A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
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Bridging the gap between kinetics in gas phase and non-ideal liquids exhibiting pronounced polarity effects
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Tuning the physisorption properties of amino acid functionalized (Organo)silicas
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Fast pyrolysis oil hydrodeoxygenation kinetics using lignin-derived model compounds
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Ethanol to hydrocarbons over ZSM-5 catalyst: evidenced mechanism from real time transient reaction studies
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Combined chemical looping for CO2 conversion
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Kinetic study of the Aminolysis of Thiolactones
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Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts
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Acidity of H-ZSM-5 and H-FAU as a function of Si/Al ratio
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Computational study of the aminolysis of thiolactones
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Radial pressure profiles in a cold-flow gas-solid vortex reactor
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DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface
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Improved livingness and control over branching in RAFT polymerization of acrylates: could microflow synthesis make the difference?
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Model-based design of the polymer microstructure: bridging the gap between polymer chemistry and engineering
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Green’ Propylene glycol: kinetic determination for the valorization of biodiesel side stream
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Assessment of the dominant factors in Cu catalyst deactivation in glycerol hydrogenolysis
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First principles‐based design of 3D pyrolysis reactors
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Molecular dynamics study of ethanol adsorption and protonation in H-ZSM-5
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DFT-based modeling of benzene hydrogenation on Pt at industrially relevant coverage
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Microkinetic model development for oxidative coupling of methane (Keynote Speaker)
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Enhanced carbon-resistant dry reforming Fe-Ni catalyst: role of Fe
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Ethanol conversion to hydrocarbons on HZSM-5: reaction Mechanism Elucidation Via Steady State and Transient Experiments
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Guidelines for selecting gas-solid vortex reactor operating conditions based on hydrodynamic characteristics
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Necessity and feasibility of 3D simulations of steam cracking reactors
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- conference
- C3
- open access
CO2 capture and conversion by combined chemical looping
(2015) p.128-128 -
CFD-based design of 3D pyrolysis reactors: RANS vs. LES
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Microkinetics for toluene total oxidation over CuO–CeO2/Al2O3
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Mg-Fe-Al-O as novel oxygen storage material for CO2 utilization
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Characterisation studies of waste bio-deroved feedstock
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Microkinetics assisted analysis of hydrotreating selectivities in fast pyrolysis oil upgrading
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Improved mechanistic insights into radical sulfinyl precursor MDMO-PPV synthesis by combining microflow technology and computer simulations
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- journalArticle
- A1
- open access
Information-driven catalyst design based on high-throughput intrinsic kinetics
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Improved simulation of miniemulsion NMP of acrylates: relevance of partitioning and short chain branch formation
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Kinetic Monte Carlo optimization of reactant feed control toward tailored gradient copolymers
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A new class of antimicrobial biosurfactants: quaternary ammonium sophorolipids
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Unraveling the role of sulfur components on coke formation during steam cracking: kinetic modeling and validation
(2015) -
Computational study and kinetic analysis of the aminolysis of thiolactones
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Group additive kinetics for hydrogen transfer between oxygenates
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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
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Mg-Fe-Al-O for advanced CO2 to CO conversion: carbon monoxide yield vs. oxygen storage capacity
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Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges
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Impact of radiation models in coupled simulations of steam cracking furnaces and reactors
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Symmetry calculation for molecules and transition states
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Nature of deactivation for Fe2O3-CeO2 materials in CO2 utilization processes
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Furnace firing control: the key to extending your runlength
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Chemical reaction engineering for catalytic process design
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Wavelet-based XAS as a tool to disclose mechanistic insight into Pt-In catalyst formation
(2015) -
Uncovering the formation of Pt-Ga catalysts by wavelet transformed in situ XAS
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A novel 4-dimensional modeling strategy for optimization of NMP mini- and microemulsion
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Commensurability versus hierarchy in Chemical Kinetics
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Impact of H2 addition on formation of PAH during anisole pyrolysis
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Abstraction from weak C-H Bond of ortho/paramethylcyclohexadienone isomers critical in improving product distribution in anisole pyrolysis
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Towards automated mechanism generation of lignin pyrolysis models: development of Group Additivity parameters for aromatic species
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The nature of vortex breakdown
(2015) p.86-87 -
Novel heuristics for mediating radical chain reactions: a stochastic simulation of the synthesis of copolymers with tailored monomer sequences
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Assessment of catalytic performance for oxidative coupling of methane via comprehensive microkinetic modelling
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Recent advances (and continuing challenges) in combustion chemistry
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- conference
- C1
- open access
A systematic study of radical addition reactions to substituted benzenes reverse beta-scission reactions
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- conference
- C1
- open access
Implementation of stereochemistry in automatic kinetic model generation
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Rate-reactivity model (RRM): a new basis for non-steady-state kinetic characterization of heterogeneous catalysts
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Numerical simulations of steam cracking test furnace using detailed combustion mechanism for CO and NOx emission
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A new group additive kinetic model for pyrolysis of C2-C4 hydrocarbons
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The strength of model-based design for nitroxide mediated polymerization
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Experimental study of catalytic coating for reduced coke formation
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How to apply the method of moments for polymerization reactions to Fischer Tropsch Synthesis (FTS)?
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Improving laboratory reactors: computational fluid dynamics and detailed chemical kinetics
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- conference
- C3
- open access
An experimental and theoretical study of cyclopentadiene-ethene co-pyrolysis: growth of polycyclic aromatic hydrocarbons
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Understanding the decomposition of sulfur compounds during steam cracking
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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
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Fast pyrolysis of lignocellulosic biomass: design and construction of a micro-pyrolysis setup for intrinsic kinetic measurements
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A single-event microkinetic model for the cobalt catalyzed Fischer-Tropsch synthesis
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Fischer-Tropsch Synthesis SSITKA simulation: balancing between model complexity, computational effort and relevance of the included features
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MAMA-SG1 initiated nitroxide mediated polymerization of styrene: from Arrhenius parameters to model-based design
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Reaction path analysis for 1-butanol dehydration in H-ZSM-5 zeolite: ab initio and microkinetic modeling
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Selective etherification of beta-citronellene catalyzed by zeolite beta
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A theoretical study of standard heat of formation of systems involving in the zinc reduction of silicon tetrachloride
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Local environment of Fe dopants in nanoscale Fe: CeO2-x oxygen storage material
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Ab initio investigation of surface chemistry of alumina ALD on hydroxylated γ-alumina surface
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Spatial arrangement and acid strength effects on acid-base cooperatively catalyzed aldol condensation on aminosilica materials
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New types of complexity in chemical kinetics: intersections, coincidences and special symmetrical relationships
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Droplet-wall interaction upon impingement of heavy hydrocarbon droplets on a heated wall
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- journalArticle
- A1
- open access
Exploring the full potential of reversible deactivation radical polymerization using pareto-optimal fronts
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Combined chemical looping for energy storage and conversion
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Comprehensive compositional analysis of sulfur and nitrogen containing compounds in shale oil using GC × GC – FID/SCD/NCD/TOF-MS
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Experimental and computational study of the initial decomposition of gamma-valerolactone
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Maximizing n-Alkane hydroisomerization: the interplay of phase, feed complexity and zeolite catalyst mixing
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A systematic methodology for kinetic modeling of chemical reactions applied to n-Hexane hydroisomerization
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Effects of amine structure and base strength on acid-base cooperative aldol condensation
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Ethene oligomerization on Ni-SiO2-Al2O3: experimental investigation and single-event microKinetic modeling
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Adsorption thermodynamics of C1–C4 alcohols in H–FAU, H–MOR, H–ZSM–5 and H–ZSM–22
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Impact of flue gas radiative properties and burner geometry in furnace simulations
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Solids velocity fields in a cold-flow Gas-Solid Vortex Reactor
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Three-component particle velocity measurements in the bottom section of a riser
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Microkinetic evaluation of normal and inverse kinetic isotope effects during methane steam reforming to synthesis gas over a Ni/NiAl2O4 model catalyst
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Ethanol to higher hydrocarbons over Ni, Ga, Fe-modified ZSM-5: effect of metal content
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The long and the short of radical polymerization
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Advanced elemental characterization during Pt-In catalyst formation by wavelet transformed X-ray absorption spectroscopy
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CFD-based design of 3D pyrolysis reactors
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Catalyst-assisted chemical looping for CO2 conversion to CO
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Catalytic cracking of cycloparaffins admixed with Olefins: 2. Single-Event Microkinetic (SEMK) assessment
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A novel technology for natural gas conversion by means of integrated oxidative coupling and dry reforming of methane
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GPU based simulation of reactive mixtures with detailed chemistry in combination with tabulation and an analytical Jacobian
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Assessing the potential of crude tall oil for the production of green-base chemicals: an experimental and kinetic modeling study
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Chemical reaction engineering: a key discipline for process innovation and optimization (Invited Lecture)
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How to model chemical kinetics: bottom-up (inductive) or top-down (deductive)
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MS-1-P-2226 Mixed FeOx-CeO2-x nanomaterials for chemical looping characterized by transmission electron microscopy and spatially resolved EELS
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Structural, spectroscopic, and kinetic characterization of Pt-based bimetallic catalysts for alkane dehydrogenation
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Assessing the clean character of plastic waste pyrolysis oil by comprehensive 2D-GC
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Methane dry reforming of Ni-Fe catalysts: effect of Fe content
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Ethanol dehydration: from ab initio to industrial reactor simulation
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CO2 Capture and Conversion via Chemical Looping Process
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Regioselective etherification of b-citronellene catalyzed by zeolite beta
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Exploring the Synergy between Zeolites Exhibiting Complementary Confinement Behavior in n-Alkane Hydroconversion at Liquid Phase Conditions
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Catching the lifetime changes of active Pt-Ga nanoclusters during high temperature redox cycling by in situ Quick-XAS
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Midchain Radical Migration: From Experimental Observation to Improved Modelling of Acrylate Polymerizations
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Improved insights on the kinetics of the radical sulfinyl PPV polymerization
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First time measurement of the short-long termination reactivity via the RAFT-CLD-T technique
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Multi-scale Modeling of the Polymerization of Thiolactone Containing Monomers based on Amine-Thiol-Ene Conjugation Chemistry
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Chemical Reaction Engineering: a core discipline for the process industry
(2014) -
Kinetic Monte Carlo based design of 2-oxazoline sequences targeting improved copolymer properties
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Kinetic Monte Carlo calculation of electrospray ionization mass spectra toward the determination of rate coefficients for radical migration, inter- and intramolecular transfer
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Model-based design of nitroxide mediated polymerization of styrene
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Model-based optimization of reversible addition-fragmentation chain transfer polymerization of styrene
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Mastering diffusion, confinement and acid strength in zeolites for the alternative production of conventional fuels and chemicals
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Development of an improved kinetic mechanism for the pyrolysis of anisole in H2 environment
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Materials for CO2 capture and conversion via chemical looping process
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- conference
- C3
- open access
Fe2O3-CeO2 for chemical looping process: in situ XRD and XAS study
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Comprehensive 3D modeling of steam cracking furnaces
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Pt-Ga catalyst formation studied with in situ XAS using Fourier and wavelet transformed analysis
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Design of vanadium based catalysts on mesoporous supports for the oxidative dehydrogenation of propane
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Insights into the reaction mechanism of ZSM-5 catalyzed bioethanol conversion to hydrocarbons by transient techniques
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Pt-based bimetallic catalysts for alkane dehydrogenation: structural, spectroscopic, and kinetic characterization
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CFD simulations of droplet-wall interaction upon impingement of heavy hydrocarbon droplets
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On-line analysis of sulfur compounds in complex hydrocarbon matrices using comprehensive two-dimensional gas chromatography FID/SCD
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Propane dehydrogenation over Pt/Mg(Al,Ga)Ox catalysts
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Kinetics of chemical reactions: decoding complexity
(2014) -
Comprehensive 3D modeling of steam cracking furnaces: influence of flue gas radiative properties, burner geometry and shadow effects
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Energy-efficient light olefin recovery: absorption versus cryogenic distillation
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Fuel me up!
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Matching physical meaning with statistical significance: best practices in modelling intrinsic n-hexane hydroisomerization kinetics
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Experimental and computational study of the initial decomposition of γ-valerolactone
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Catalytic coating for reduced coke formation in ethylene-producing steam crackers: experimental and model validation
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Acid strength effects on acid-base cooperative aldol condensation
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New Results in Non-Steady-State Catalyst Characterization using the Temporal Analysis of Products (TAP) Approach ('Chemical Calculus')
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CFD‐based design of 3D pyrolysis reactors: RANS vs LES