Molecular guest exchange and subsequent structural transformation in CH4 – CO2 replacement occurring in sH hydrates as revealed by 13C NMR spectroscopy and molecular dynamic simulations
Yohan Lee, Woojin Go, Yun Ju Kim, Junkyu Lim, Wonjung Choi, Yongwon Seo
Topics & Concepts
HydrateChemistryMethylcyclopentaneMolecular dynamicsClathrate hydrateMethaneMoleculeNuclear magnetic resonance spectroscopyCrystallographyPhysical chemistryComputational chemistrySelectivityStereochemistryOrganic chemistryCatalysisMethane Hydrates and Related PhenomenaHydrocarbon exploration and reservoir analysisCO2 Sequestration and Geologic Interactions