聚合物
聚合物混合物
作文(语言)
材料科学
工作(物理)
分布(数学)
链条(单位)
分子动力学
生物系统
化学物理
化学工程
热力学
化学
共聚物
计算化学
复合材料
物理
数学
数学分析
语言学
哲学
天文
工程类
生物
作者
Dmitry Bedrov,W. Liu,Ralph H. Colby
标识
DOI:10.1080/14786430802441170
摘要
Molecular dynamics simulations using a generic bead-necklace model were utilized to investigate the concentration distribution of local environments in model polymer blends. The distribution of effective composition around polymer segments was investigated for different blend scenarios and bulk concentrations. Inter- and intra-molecular contributions to the effective composition are analyzed. The analysis indicates that chain connectivity has significant and non-trivial effects on the distribution of effective composition around a polymer segment. The results of this work are compared with assumptions of several theoretical models that have been commonly used to describe structural and dynamical correlations in miscible polymer blends.
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