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活性自由基共聚物的微组成与微序列结构的计算机模拟 被引量:2

Simulation of living/controlled radical copolymer's microstructure by computer program
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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...
出处 《计算机与应用化学》 CAS CSCD 北大核心 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).
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 Monte Carlo simulation living/controlled radical copolymerization micro-sequence copolymers composition deactivate reactions
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