A Review on the Morphology and Material Properties of the Gas Separation Membrane: Molecular Simulation

被引：16

作者：

Liu, Yilin ^{[1
]}

Li, Na ^{[2
]}

Cui, Xin ^{[1
]}

Yan, Weichao ^{[1
]}

Su, Jincai ^{[3
]}

Jin, Liwen ^{[1
]}

机构：

[1] Xi An Jiao Tong Univ, Sch Human Settlements & Civil Engn, 28 Xianning West Rd, Xian 710049, Peoples R China

[2] Xi An Jiao Tong Univ, Sch Chem Engn & Technol, 28 Xianning West Rd, Xian 710049, Peoples R China

[3] Ngee Ann Polytech, Sch Life Sci & Chem Technol, 535 Clementi Rd, Singapore 599489, Singapore

来源：

MEMBRANES | 2022年 / 12卷 / 12期

基金：

中国国家自然科学基金;

关键词：

gas separation; composite polymeric membranes; molecular simulation; membrane morphology; transport properties; MIXED MATRIX MEMBRANES; COMPOSITE MEMBRANES; PERVAPORATION DEHYDRATION; DYNAMICS SIMULATION; MONTE-CARLO; POLY(VINYL ALCOHOL); NATURAL-GAS; FREE-VOLUME; DIFFUSION; PERFORMANCE;

D O I：

10.3390/membranes12121274

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Gas membrane separation technology is widely applied in different industry processes because of its advantages relating to separation performance and economic efficiency. It is usually difficult and time consuming to determine the suitable membrane materials for specific industrial separation processes through traditional experimental research methods. Molecular simulation is widely used to investigate the microscopic morphology and macroscopic properties of materials, and it guides the improvement of membrane materials. This paper comprehensively reviews the molecular-level exploration of the dominant mechanism and influencing factors of gas membrane-based separation. The thermodynamics and kinetics of polymer membrane synthesis, the molecular interactions among the penetrated gases, the relationships between the membrane properties and the transport characteristics of different gases in the composite membrane are summarized and discussed. The limitations and perspectives of the molecular simulation method in the study of the gas membrane separation process are also presented to rationalize its potential and innovative applications. This review provides a more comprehensive reference for promoting the materials' design and engineering application of the gas separation membrane.

引用

页数：24

共 93 条

[1] Crosslinked poly(ether block amide) composite membranes for organic solvent nanofiltration applications [J].