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个人信息Personal Information
教授
博士生导师
硕士生导师
任职 : 精细化工全国重点实验室主任，教育部智能材料化工前沿科学中心执行主任，大连理工大学膜科学与技术研究开发中心主任
性别：女
毕业院校：中国科学院大连化物所
学位：博士
所在单位：化工学院
学科：化学工程. 膜科学与技术. 生物医学工程
联系方式：hgaohong@dlut.edu.cn
电子邮箱：hgaohong@dlut.edu.cn
Influences of Van Der Waals Volume of Substitute Groups on CO2 Permselectivity of Polyimide-A Molecular Simulation Study
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论文类型：期刊论文
发表时间：2014-11-15
发表刊物：JOURNAL OF APPLIED POLYMER SCIENCE
收录刊物：SCIE、EI、Scopus
卷号：131
期号：22
ISSN号：0021-8995
关键字：polyimides; separation techniques; structure-property relations; thermal properties
摘要：Polyimide (PI) as a typical glassy polymer material was investigated by molecular simulation to reveal the relationship between polymer molecular structure and its gas separation properties. The influences of van der waals volume (V-w) on CO2 permselectivity of PI polymers (with four kinds of backbone substitute groups and a series of side substitute groups from small to large volume) and Vw was proposed as an intermediate to establish the relationship between the substitute group and permselectivity. The results show that the CO2 permeability (P) simply increases and CO2/N-2 selectivity (S) decreases with the increasing Vw of side substitute groups. The linear fitline of P-Vw is much suitable to describe and predict the effect of the increasing Vw of side substitute group on improving permeability by analyzing the experimental and calculated CO2 permeability. The increasing Vw of backbone substitute group can slow down the increasing of CO2 permeability, but result in the decreasing first and then recovering to the original level. (C) 2014 Wiley Periodicals, Inc.