活性自由基共聚物的微组成与微序列结构的计算机模拟  

Simulation of living/controlled radical copolymer's microstructure by computer program

作　　者：戴威[1] 李红娟[1] 李书静[1] 谢美然[1] 张以群[1] 

机构地区：[1]华东师范大学化学系,上海200062

出　　处：《计算机与应用化学》2009年第2期157-160,共4页Computers and Applied Chemistry

基　　金：国家自然科学基金项目(20474018).

摘　　要：为了研究活性自由基共聚物的组成、平均段长、链段分布及各元组浓度等重要结构量,本文运用Monte Carlo模拟方法设计一个计算机程序,模拟具有休眠-活化过程的活性自由基共聚过程,并分析所得到的链结构及微结构相关参数,确定了反应参数和聚合物产物结构的关系。In order to study the important information of living/controlled radical copolymer s microstructure such as composition ratio, average segment length,segment length distribution and sequence concentration,a computer program has been designed by using Monte Carlo method based on a new model of living/controlled copolymerization to simulate the process of the living/controlled radical copolymer analyze the obtained chain s structure and microstrueture s parameters,and ascertain the relationship between the re...

关 键 词：MONTE CARLO模拟 活性自由基共聚物结构 元组浓度 共聚组成 休眠-活化 

分 类 号：O631.1[理学—高分子化学]