机构地区: 南京工业大学化学化工学院
出 处: 《现代化工》 2003年第10期59-62,共4页
摘 要: 简要回顾了近15年来分子模拟在各种聚合物膜研究中的应用,分析了它为宏观实验现象提供的新解释以及给聚合物膜的改性和设计研究工作带来的新思路,同时也对当前计算条件下模拟中存在的问题进行了探讨。 A brief review of the application of molecular simulation in the study of polymeric membranes over last 15 years was given.The new explanation of macroscopic experimental phenomena and the new idea of functionalizing and designing polymeric membrane were analyzed,and some problems existing in the current study of molecular simulation under present computational facilities were discussed.
领 域: [理学]