Browsing GPC Research by Subject "Quartz"

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A theoretical study of gas adsorption on α-quartz (0 0 1) for CO2 enhanced natural gas recovery

Carchini G.; Hussein I.; Al-Marri M.J.; Shawabkeh R.; Mahmoud M.; Aparicio S.... more authors ... less authors ( Elsevier B.V. , 2020 , Article)
The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on the “dense” (0 0 1) surface of α-quartz has been investigated by means of Density Functional Theory (DFT) for the molecular characterization of Enhanced Gas ...
Ab-Initio Molecular Dynamics investigation of gas adsorption on α-quartz (001) for CO2 enhanced natural gas recovery

Carchini G.; Hussein I.A.; Al-Marri M.J.; Mahmoud M.; Shawabkeh R.; Aparicio S.... more authors ... less authors ( Elsevier B.V. , 2021 , Article)
In this work, the interaction of methane and carbon dioxide on α-quartz with surface 001, with a siloxane termination (dense) surface was investigated by means of Ab-Initio Molecular Dynamics. Different temperatures were ...