二维三角格子上高分子动态Monte Carlo模拟的协同运动算法  

Dynamic Monte Carlo Simulation of Polymer Cooperative Motion Algorithm in 2-Dimensional Triangle Lattice

作　　者：秦原[1] 刘洪来[1] 胡英[1] 

机构地区：[1]华东理工大学化学系,联合反应工程国家重点实验室,上海200237

出　　处：《功能高分子学报》2001年第4期417-421,共5页Journal of Functional Polymers

基　　金：国家自然科学基金 ( 2 0 0 2 5 618;2 9736170 );教育部博士点基金 ( 19990 2 5 10 3);上海市教委曙光计划联合资助项目~~

摘　　要：在动态MonteCarlo模拟的协同运动算法中 ,几个相邻的链节可以同时运动 ,这可以理解为高分子链中张力的作用引起的协同运动。将这一算法用于二维三角格子模型上RW链和SAW链的模拟。结果表明RW链的动力学行为符合Rouse理论 ,说明该算法可以用于高分子动力学研究 ,其优点是不需要使用键长涨落模型。In the cooperative motion Monte Carlo simulation algorithm of polymer, several neighboring segments can move collectively. This may be interpreted as the local molecular motion arising from the tensile force in the polymer chain. Using this algorithm we studied the dynamic behavior of the RW and SAW chains on 2 dimensional triangle lattice. It is shown that the RW chains' dynamic behavior is agreement with the Rouse theory, so it can be used as a dynamic Monte Carlo simulation algorithm. It is better than the well known bond fluctuation algorithm.

关 键 词：MONTECARLO模拟 高分子动力学 格子模型 协同运动算法 高分子链 张力 二维三角格子 动态模拟 

分 类 号：O631.1[理学—高分子化学]