prof. dr. Marie-Françoise Reyniers
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- Conference Paper
- C3
- open access
Bio-butanol dehydration via zeolites as a missing link between classic and bio refineries
(2017) -
An update on the pivotal role of kinetic modeling for the mechanistic understanding and design of bulk and solution RAFT polymerization
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Optimization of the in situ pretreatment of high temperature Ni-Cr alloys for ethane steam cracking
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- Conference Paper
- C3
- open access
An advanced kinetic modeling for reactive polymer processing
(2017) -
- Conference Paper
- C3
- open access
Zeolite catalysed conversion of alcohols to hydrocarbons: from molecular to industrial scale
(2017) -
Impact of initial surface roughness and aging on coke formation during Ethane steam cracking
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- Conference Paper
- C3
- open access
A novel solution strategy for the simulation of bulk RAFT polymerization
(2017) -
- Conference Paper
- C1
- open access
Ab Initio study on the dimerization of lignol model species
(2017) -
- Conference Paper
- C3
- open access
Pulsed Laser Polymerization Revisited : From the Photodissociation Quantum Yield to the Chain Initiation, Propagation, Backbiting and Termination Reactivity
(2017) -
- Conference Paper
- C3
- open access
Model-based design of reaction conditions for segmented copolymer synthesis by combining step : and chain-growth polymerization
(2017) -
- Conference Paper
- C3
- open access
Role of products and intermediates in bioethanol conversion to hydrocarbons on H-ZSM-5 : a time-resolved study
(2017) -
- Conference Paper
- C3
- open access
Kinetics of the thermal decomposition of sulfur compounds
(2017) -
- Conference Paper
- C3
- open access
A kinetic understanding of the combination of light-driven step-growth and RAFT polymerization
(2017) -
- Conference Paper
- C3
- open access
Positive effect of Ga-promoting on the catalytic dehydrogenation of propane over a Pt catalyst
(2017) -
- Conference Paper
- C3
- open access
Step-growth polymers as macro chain transfer agents - an experimental and theoretical study
(2017) -
- Conference Paper
- C3
- open access
A generic platform for the visualization of all monomer sequences in individual copolymer chains
(2017) -
- Conference Paper
- C3
- open access
A tracking of the complete microstructural evolution of individual polymer chains during polymer modification reactions
(2017) -
- Conference Paper
- C3
- open access
First principles based microkinetic modeling of methyl butanoate pyrolysis
(2017) -
- Conference Paper
- C3
- open access
New perspectives for step-growth polymerization : light driven step-growth fused with chain extension via RAFT polymerization
(2017) -
- Conference Paper
- C3
- open access
The relevance of the termination rate coefficient model to accurately describe the chain length distribution in the industrial production of expandable polystyrene
(2017) -
- Conference Paper
- C3
- open access
The synergy of experiments and modeling to identify all monomer sequences and functional groups in copolymerization processes
(2017) -
Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization
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- Journal Article
- A1
- open access
A detailed mechanistic study of bulk MADIX of styrene and its chain extension
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A complete understanding of the reaction kinetics for the industrial production process of expandable polystyrene
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The positive role of hydrogen on the dehydrogenation of Propane on Pt(111)
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Thiol-Michael addition in polar aprotic solvents : nucleophilic initiation or base catalysis?
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Kinetic Monte Carlo generation of complete electron spray ionization mass spectra for acrylate macromonomer synthesis
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Role of intermediates in reaction pathways from ethene to hydrocarbons over H-ZSM-5
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Kinetic Monte Carlo modeling extracts information on chain initiation and termination from complete PLP-SEC traces
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Mechanistic insights into the formation of butene isomers from 1-butanol in H-ZSM-5 : DFT based microkinetic modelling
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Modeling the reaction event history and microstructure of individual macrospecies in post-polymerization modification
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Estimating the photodissociation quantum yield from PLP-SEC peak heights
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How penultimate monomer unit effects and initiator choice influence ICAR ATRP of n-butyl acrylate and methyl methacrylate
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Effect of zeolite confinement on the conversion of 1-butanol to butene isomers : mechanistic insights from DFT based microkinetic
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Fusing light-induced step-growth processes with RAFT chemistry for segmented copolymer synthesis : a synergetic experimental and kinetic modeling study
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A detailed mechanistic study of bulk MADIX of styrene and its chain extension
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- Journal Article
- A1
- open access
Group additive modeling of substituent effects in monocyclic aromatic hydrocarbon radicals
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Thermal decomposition of sulfur compounds and their role in coke formation during steam cracking of heptane
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- Conference Paper
- C3
- open access
Bio-butanol dehydration by zeolites: the missing link between classic and bio refinery
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Ab initio molecular dynamics for ethanol asorption in H-ZSM-5
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A Multi-Scale Modelling Platform applied towards Fischer Tropsch Synthesis on Fe catalysts
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The role of CO2 in the dehydrogenation of propane over WOx-VOx/SiO2
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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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- Conference Paper
- C3
- open access
Model-based design of homogeneous MADIX/RAFT polymerization of styrene
(2016) -
- Conference Paper
- C3
- open access
Computational and kinetic study of the thiol and aza Michael addition
(2016) -
- Conference Paper
- C3
- open access
In silico based design of nitroxide mediated polymerization: from homopolymers to sequence controlled polymers
(2016) -
- Conference Paper
- C3
- open access
A new method for the measurement of the backbiting rate coefficient in acrylate radical polymerization
(2016) -
- Conference Paper
- C3
- open access
Catalytic dehydrogenation of propane on Pt catalysts: the positive effect of hydrogen co-feeding
(2016) -
- Conference Paper
- C3
- open access
First Principles Based Microkinetic Modelling of Methyl Butanoate Pyrolysis
(2016) -
- Conference Paper
- C3
- open access
Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt
(2016) -
- Conference Paper
- C3
- open access
Model-based design of the microstructure of individual copoly(2-oxaziline) chains
(2016) -
- Conference Paper
- C3
- open access
DFT-based and microkinetic analysis of zeolite-catalyzed conversion of bio-alcohols
(2016) -
- Conference Paper
- C3
- open access
Zeolite catalysed conversion of alcohols to hydrocarbons: from molecular to industrial scale
(2016) -
- Conference Paper
- C3
- open access
Al-based coating for coke reduction during ethane steam cracking
(2016) -
- Conference Paper
- C3
- open access
Quantitative first principles based kinetic modeling for the synthesis of well-defined macromolecular architectures
(2016) -
- Conference Paper
- C3
- open access
Ab initio based microkinetic modelling as a tool to understand and improve controlled polymerization processes
(2016) -
- Conference Paper
- C1
- open access
A full exploitation of the pulsed laser polymerization technique to assess all important rate coefficients in acrylate radical polymerization
(2016) -
- Conference Paper
- C1
- open access
Ti-base alloy coking behavior during steam cracking of ethane
(2016) -
The strength of multi-scale modeling to unveil the complexity of radical polymerization
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A novel method for the measurement of accurate degenerative chain transfer coefficients: proof of concept and experimental validation
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Chain transfer in degenerative RAFT polymerization revisited: a comparative study of literature models
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DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
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First principles kinetic study on the effect of zeolite framework on 1-butanol dehydration
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Modeling of monomer sequences along copolymer chains
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Volume-of-fluid simulations of bubble dynamics in a vertical Hele-Shaw cell
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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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Quantitative first-principles kinetic modeling of the aza-Michael addition to acrylates in polar aprotic solvents
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Model-based design to push the boundaries of sequence control
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Computational Investigation of the Aminolysis of RAFT Macromolecules
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An alternative method to estimate the bulk backbiting rate coefficient in acrylate radical polymerization
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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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Detailed kinetic analysis of reversible deactivation radical polymerization
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Positive effect of hydrogen co-feeding on the catalytic dehydrogenation of propane over Pt
(2016) -
Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates
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Implementation of stereochemistry in automatic kinetic model generation
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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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Insights into the reaction mechanism of ethanol conversion into hydrocarbons on H-ZSM-5
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An experimental and kinetic modeling study of γ-valerolactone pyrolysis
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- Conference Paper
- C3
- open access
The effect of dealumination with HCl on MFI and FER type zeolites on the dehydration of n-butanol
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Model-based visualization and understanding of monomer sequence formation in the synthesis of gradient copoly(2-oxazoline)s on the basis of 2-methyl-2-oxazoline and 2-phenyl-2-oxazoline
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Model-based design of the polymer microstructure: bridging the gap between polymer chemistry and engineering
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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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DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface
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Computational study of the aminolysis of thiolactones
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Acidity of H-ZSM-5 and H-FAU as a function of Si/Al ratio
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Monomer sequences of individual copoly(2-oxazoline) chains based on 2-Methyl-2-oxazoline and 2-Phenyl-2-Oxazoline: visualization and model-based design
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Computational study of the catalytic dehydrogenation of propane on Pt and Pt3Ga catalysts
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Kinetic study of the Aminolysis of Thiolactones
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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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Kinetic Monte Carlo optimization of reactant feed control toward tailored gradient copolymers
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Nature of poly(2-oxazoline) gradient copolymers
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Improved simulation of miniemulsion NMP of acrylates: relevance of partitioning and short chain branch formation
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DFT-based modeling of benzene hydrogenation on Pt at industrially relevant coverage
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Molecular dynamics study of ethanol adsorption and protonation in H-ZSM-5
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A kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
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A combined experimental and modeling study of the nitroxide mediated polymerization of styrene initiated by BlocBuilderTM
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A comparison of acrylate kinetics in batch and microreactors under RAFT solution polymerization conditions
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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 kinetic study of RAFT polymerization of styrene with 2-Cyano-2-Propyl Dodecyl Trithiocarbonate
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A comparative study of RAFT polymerization of n-butyl acrylate under microflow and batch conditions