化工进展2017，Vol.36Issue(12)：4319-4328,10.DOI:10.16085/j.issn.1000-6613.2017-0460
聚酰胺反渗透膜的分子动力学模拟研究进展
Molecular dynamic simulation of polyamide reverse osmosis membrane
赵海洋 1张林2
作者信息
- 1. 火箭军工程设计研究院,北京 100011
- 2. 浙江大学化学工程与生物工程学院,生物质化工教育部重点实验室,浙江杭州 310027
- 折叠
摘要
Abstract
The aromatic polyamide(PA)composite membrane,which is the most successful commercial reverse osmosis(RO) membrane,has been widely used in the field of water treatment. The thorough analysis of PA membrane is helpful to innovate the design of substitute membrane. Molecular dynamics(MD)simulation is an effective tool to investigate the microscopic structure and molecular behavior of the materials,and can be used to study the polymerization,structure and performances of PA membrane. Based on the summary of the physicochemical properties of polyamide RO membrane, this paper reviews the progress of MD simulation study on PA RO membrane,including the polymerization mechanism,molecular structure,diffusion of water and solute inside the membrane and the mechanism of membrane fouling. Due to the limitations in research scale and subjects,it is difficult for MD simulation to resolve the issues of structure analysis in macroscopic level and the ionization equilibrium in PA membrane. Therefore,we propose to combine MD simulation with other experimental test and simulation methods for the PA membrane study.关键词
聚酰胺/反渗透膜/分子模拟Key words
polyamide/reverse osmosis membrane/molecular simulation分类
数理科学引用本文复制引用
赵海洋,张林..聚酰胺反渗透膜的分子动力学模拟研究进展[J].化工进展,2017,36(12):4319-4328,10.
