高分子构象模拟研究中的Monte Carlo方法  

Monte Carlo Methods and its Applications in Conformation Simulation of Polymer

作　　者：李海普[1] 钟志辉[1] 李星[1] 宋振伟[1] 

机构地区：[1]中南大学化学化工学院,湖南长沙410083

出　　处：《广州化工》2012年第15期3-5,共3页GuangZhou Chemical Industry

基　　金：国家自然科学基金(NO:50804055)

摘　　要：介绍了Monte Carlo方法及其特点,进而分析了Monte Carlo用于高分子模拟的优势,并描述了两类模拟模型。论文重点综述了近年来Monte Carlo方法在高分子构象模拟中的一些研究与应用,并展望了Monte Carlo方法在高分子构象模拟中的发展趋势和前景。Monte Carlo method and its characteristic were introduced,its advantages in the conformation simulation of polymer were further analyzed,and two simulation models were also described.With emphasis on the development of Monte Carlo in conformation simulations,the applications of the method during the research of polymer conformation in confined space and non-confined space were summarized,and the trends and prospects for the Monte Carlo simulations of polymer conformations for future were speculated.

关 键 词：MONTE Carlo 分子模拟 高分子 构象 

分 类 号：O631.1[理学—高分子化学]