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Updated: Nov 9, 2025

Electrophoretic Crystallization of Ultrathin High-performance Metal-organic Framework Membranes
Published on: August 16, 2018
Separation of C1/C3 binary organic gas mixtures via flexible nanoporous carbon molecular sieves: DFT calculations and
Feng Miao1, Hao Jiang2, Xin-Lu Cheng3
1Key Laboratory of Electronic and Information Engineering (Southwest Minzu University), State Ethnic Affairs Commission, Chengdu, 610041, China.
Abstract:
The C1/C3 hydrocarbon gas separation characteristics of nanoporous carbon molecular sieves (CMS) are studied using DFT calculations and MD simulations. To efficiently separate the equimolar CH4/C3H8 and CH4/C3H6 gas mixtures, CNT gas transport channels are embed between the polyphenylene membranes which created structural deformation for both CNT and membrane. The adsorption and permeation of gas molecules via CMS and the effect of nanochannel density and electric field on gas selectivity are analyzed. In addition to the direct permeation, gas molecules that adsorbed on the NPG surface also making a significant contribution to the gas permeability comes from a surface mechanism. Results also uncovered that the gas selectivity is enhanced by the electric field along the + x and +y axes, whereas reduced by the electric field along the + z and -z axes. Plainly, this CMS provides a feasible way for the efficient separation of the C1/C3 organic gas mixtures.
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