相转化法制膜过程的模型与模拟研究进展  

A review on modeling and simulation work of membrane formation by phase inversion processes

作　　者：唐元晖[1] 李沐霏 林亚凯 王晓琳 TANG Yuanhui;LI Mufei;LIN Yakai;WANG XiaoliN(College of Chemistry and Environmental Engineering,China University of Mining and Technology,Beijing 100083,China;Beijing Key Laboratory of Membrane Materials and Engineering,Department of Chemical Engineering,Tsinghua University,Beijing 100084,China)

机构地区：[1]中国矿业大学(北京)化学与环境工程学院,北京100083 [2]清华大学化学工程系膜材料与工程北京市重点实验室,北京100084

出　　处：《膜科学与技术》2020年第1期266-274,共9页Membrane Science and Technology

基　　金：化学工程联合国家重点实验室开放课题(SKL-CHE-19A02);国家科技支撑计划项目(2015BAE06B00)。

摘　　要：相分离(或相转化)法是目前聚合物膜制备最主要的技术,其过程的高度复杂性限制了原位实验研究的发展和深入,所以人们基于Flory-Huggins热力学相图理论,采用了包括宏观尺度的传递模型、介观尺度的相场理论和微观尺度的基于分子/粒子的模拟方法等多种动力学模型手段,对成膜过程的不同控制因素对相分离过程和膜结构的影响开展了大量的计算和模拟研究,得到了相分离轨迹和形貌发展等诸多重要结果,用于指导膜制备实践的优化和实现对膜形态结构的预控.本文在对Flory-Huggins热力学相图理论作简要介绍的基础上,重点综述了不同时空尺度的动力学模型和模拟方法的原理、发展和在相分离过程中的应用研究,同时还指出了存在的限制和面临的挑战,并对今后模型和模拟研究的发展方向做出了展望,旨在为相分离法高性能聚合物膜可控制备提供参考.Phase inversion processes represent the most widely manufacturing technique for polymeric membranes.However,the complexity of the process limits the application and development of the situ experimental methods.Modeling efforts have largely been paid to correlate experimentally phase separation and observed pore structures with process conditions,using thermodynamic phase diagrams and different dynamic models which operate at different scales,including macroscopic transport models,mesoscopic phase field approach and microscopic molecule/particle-based simulations.Lots of important research results have been obtained to help to optimize the membrane fabrication conditions,which can help to realize the controllable preparation of polymeric membranes with excellent performance.This article firstly gives a brief introduction of the thermodynamic phase diagram theory,and then focuses on developments and applications of the dynamic modeling tools on the different scales of membrane formation via phase inversion processes.Meanwhile,current challenges and future prospects are also proposed.This review can be beneficial for further progress in the modeling development and membrane preparation for phase inversion technique.

关 键 词：模型 模拟 膜形成过程 相分离 动力学模拟 

分 类 号：O631.4[理学—高分子化学]