聚合物线性降解计算机模拟及程序开发  

Computer simulation and program development of polymer degradation

作　　者：胡文军[1] 郭历伦[1] 黄远红[1] 

机构地区：[1]中国工程物理研究院结构力学研究所,四川绵阳621900

出　　处：《计算机与应用化学》2007年第2期219-223,共5页Computers and Applied Chemistry

基　　金：中国工程物理研究院科学技术基金(20030865)

摘　　要：分析了线性高分子的降解机理,确立了线性高分子降解的四种数学模型,采用Visual C++编制了模拟线性高分子降解的程序,并用该程序对聚二甲基硅氧烷的降解进行了模拟,得到了聚二甲基硅氧烷降解的分子量分布图,并对模拟结果进行了简要的分析。Linear polymer degradation mechanism is analysd in this paper, it is assumed that Constitute chains or bonds have equal probability to break down. Mathematical algorithm, iterative algebraic exact statistical formulation methods are presented to implement this model and simuate the evolution of resultant temporal MW distribution. The mathematical models described above have been developed and implemented in a computer program, written in object-oriented programming Language Visual C ＋＋. Polydimetlylsiloxane degradation for midpoint scission, percent scission, Unzip scission and random scission are simulated, molecular weight distribution curve and data are obtained, then the results are briefly analysed.

关 键 词：线性高分子 降解 数学模型 

分 类 号：O6[理学—化学] TP3[自动化与计算机技术—计算机科学与技术]