MoS₂ nanosheet as a promising nanostructure membrane for gas separation

چکیده مقاله

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. © 2018 The Korean Society of Industrial and Engineering Chemistry