Research Explorer

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Project

Computer-aided first principles based modelling of homogeneous catalyzed processes

Outputs and Outcomes

Publications

A fundamental investigation of the pyrolysis chemistry of Oxymethylene Ethers : part I : quantum chemical calculations and kinetic model development

Kevin De RasOlivier HerbinetFrédérique Battin-LeclercYann FenardLuc Sy TranGuillaume VanhoveJoris ThybautKevin Van Geem

A1 Journal Article in COMBUSTION AND FLAME

A fundamental investigation of the pyrolysis chemistry of oxymethylene ethers : part II : experiments and comprehensive model analysis

Kevin De RasOlivier HerbinetFrédérique Battin-LeclercAndreas EschenbacherMarvin KusenbergRobin John VargheseThomas PanagetOğuzhan AkinYann FenardLuc Sy TranGuillaume VanhoveJoris ThybautKevin Van Geem et al.

A1 Journal Article in COMBUSTION AND FLAME

Unravelling the liquid-phase oxidation of cyclohexane by computer-aided kinetic model development with ‘ALKIMO’

Kevin De RasGust PopelierLander NelisConnor HuntworkRobin VercauterenUnni KurumbailJoris ThybautIve HermansKevin Van Geem

A combined experimental and kinetic modeling study on low- and intermediate-temperature oxidation of trimethoxymethane

Gilles DosscheKevin De RasOlivier HerbinetFrédérique Battin-LeclercMaarten SabbeKevin Van Geem

Fast and accurate estimation of kinetic parameters for the unimolecular decomposition of 1,3-dioxetane and 1,3,5-trioxane derivatives

Gilles DosscheKevin De RasMaarten SabbeJoris ThybautKevin Van Geem

Estimating thermodynamic properties of oxymethylene-ether-like species using group additivity

Kevin De RasJoris ThybautKevin Van Geem

A1 Journal Article in ENERGY & FUELS

Unimolecular decomposition of 1,3-dioxetane and 1,3,5-trioxane derivatives : fast and accurate estimation of kinetic parameters

Gilles DosscheKevin De RasJoris ThybautKevin Van Geem

A1 Journal Article in ENERGY & FUELS

O2-dependence of reactions of 1,2-dimethoxyethanyl and 1,2-dimethoxyethanylperoxy isomers

Nicholas S. DeweyKevin De RasRuben Van de VijverSamuel W. HartnessAnnabelle W. HillJoris ThybautKevin Van GeemLeonid ShepsBrandon Rotavera

A1 Journal Article in COMBUSTION AND FLAME

Active machine learning for chemical engineers : a bright future lies ahead!

Yannick UreelMaarten DobbelaereYi OuyangKevin De RasMaarten SabbeGuy MarinKevin Van Geem

A1 Journal Article in ENGINEERING

Prospects of complete mineralization of per- and polyfluoroalkyl substances by thermal destruction methods

Lucas Dos Santos VargetteNathalie De CoenselKevin De RasRuben Van de VijverStefan VoorspoelsKevin Van Geem

A1 Journal Article in CURRENT OPINION IN CHEMICAL ENGINEERING

An experimental and kinetic modeling study on the low-temperature oxidation of oxymethylene ether-2 (OME-2) by means of stabilized cool flames

Kevin De RasThomas PanagetYann FenardJeroen AerssensLaure PillierJoris ThybautGuillaume VanhoveKevin Van Geem

A1 Journal Article in COMBUSTION AND FLAME

Unraveling the carbene chemistry of oxymethylene ethers : experimental investigation and kinetic modeling of the high-temperature pyrolysis of OME-2

Kevin De RasMarvin KusenbergJoris ThybautKevin Van Geem

A1 Journal Article in PROCEEDINGS OF THE COMBUSTION INSTITUTE

The secondary chemistry of synthetic fuel oxymethylene ethers unraveled : theoretical and kinetic modeling of methoxymethyl formate and formic anhydride decomposition

Kevin De RasMike BonheureJoris ThybautKevin Van Geem

A1 Journal Article in JOURNAL OF THE ENERGY INSTITUTE

A detailed experimental and kinetic modeling study on pyrolysis and oxidation of oxymethylene ether-2 (OME-2)

Kevin De RasMarvin KusenbergGuillaume VanhoveYann FenardAndreas EschenbacherRobin John VargheseJeroen AerssensRuben Van de VijverLuc-Sy TranJoris ThybautKevin Van Geem et al.

A1 Journal Article in COMBUSTION AND FLAME