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Modeling competitive adsorption and diffusion of CH4/CO2 mixtures confined in mature type-II kerogen: Insights from molecular dynamics simulations

Patrick Bonnaud, Fouad Oulebsir, Guillaume Galliéro, Romain Vermorel

2023Fuel26 citationsDOI

Topics & Concepts

KerogenAdsorptionSelectivityChemistryDiffusionMolecular dynamicsThermodynamicsMethaneLangmuirMolecular diffusionPhysical chemistryComputational chemistryOrganic chemistryPhysicsGeologyStructural basinPaleontologyOperations managementEconomicsCatalysisSource rockMetric (unit)Hydrocarbon exploration and reservoir analysisPhase Equilibria and ThermodynamicsAtmospheric and Environmental Gas Dynamics
Modeling competitive adsorption and diffusion of CH4/CO2 mixtures confined in mature type-II kerogen: Insights from molecular dynamics simulations | Litcius