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Abstract We investigated the capability of MoS2 membrane for separation of natural gas mixtures, including CH4/CO2, CH4/H2S and CH4/CO2/H2S mixtures. The permeation mechanisms of the gas molecules through the pore… Click to show full abstract
Abstract We investigated the capability of MoS2 membrane for separation of natural gas mixtures, including CH4/CO2, CH4/H2S and CH4/CO2/H2S mixtures. The permeation mechanisms of the gas molecules through the pore of MoS2 membrane were revealed by gas molecular structure analyzing, orientation of gas molecule in the simulation system and density map. The energy barrier for three types of gas molecules was calculated and showed that gas molecules with the low energy barrier could pass through the MoS2 pore. Hence, the present study introduces MoS2 membrane as a new nanostructure membrane for gas separation in the industries.
Journal Title: Journal of Industrial and Engineering Chemistry
Year Published: 2018
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