基于改进的Maier-Saupe理论对链状高分子结晶过程的研究  

The Study on Crystallization Process of a Single Polymer Chain Based on the Improved Maier-Saupe Theory

作　　者：张健 姜舟婷[1] 

机构地区：[1]中国计量学院理学院

出　　处：《宁波教育学院学报》2010年第6期83-87,共5页Journal of Ningbo Institute of Education

基　　金：2010年度浙江省科技厅钱江人才项目;课题编号:2010R10022

摘　　要：以分子动力学对高分子链取向函数S的模拟结果,改进原有的Maier-Saupe平均场理论在液晶小分子体系中的势能表达式,使之适用于高分子单链体系,研究高分子链的结晶过程。得出链状高分子结构的改变主要依靠链段的有序化,非晶态全局取向函数大于零,临界温度随着链柔性的增加而升高的结论,对深入理解高分子的结晶过程提供了理论依据。The structural information of a single polymer chain during its crystallization process was studied here,by the improved Maier-Saupe theory,and based on the MD simulation result on orientation order parameter S.The original M-S theory was explained the liquid crystal during the N-I transition successfully.In this article,the mean field potential expression of M-S theory was improved to suit the single polymer chain system.It concluded that the paralleled stems are mainly located in the crystal lattice under the low temperature.The value of S is larger than zero under non-crystal state.And the critical temperature TC is increasing with the flexibility of a polymer chain.The theoretical conclusions are helpful to understand the crystallization process of a single polymer chain.

关 键 词：改进 平均场理论 链状 高分子链 结晶过程 Theory Improved Based Polymer Chain CRYSTALLIZATION Process 小分子体系 势能表达式 高分子结构 高分子单链 分子链取向 分子动力学 模拟结果 临界温度 理论依据 函数 

分 类 号：G65[文化科学—教育学]