Molecular Simulation on Permeation Behavior of CH4/CO2/H2S Mixture Gas in PVDF at Service Conditions

S. During the permeation process, the adsorption of gas molecules in PVDF exhibited selective aggregation, and most of them were adsorbed in the low potential energy region of PVDF cell. The mixed-gas molecules vibrated within the hole of PVDF at relatively low temperature and pressure. As the temperature and pressure increase, the gas molecules jumped into the neighboring holes occasionally and then dwelled in the holes, moving around their equilibrium positions.