Abstract: Progress in the molecular simulation for pervaporation membranes is reviewed including inorganic membranes, polymeric membranes and inorganic-organic composite membranes. The microcosmic explanations for macroscopical experimental phenomena are analyzed, some existing problems are discussed, the development for future research is also prospected.

摘要： 综述了分子模拟在渗透汽化无机膜、聚合物膜及有机-无机复合膜研究中的应用。分析了对宏观实验现象提供的微观解释。探讨了模拟研究中存在的问题，并对分子模拟在渗透汽化膜研究中的前景进行了展望。