Molecular dynamics analysis of PMMA/PVC and PP/PA6 blends

被引：0

作者：

Zhang, Min ^{[1
,2
]}

机构：

[1] Shandong Univ, Sch Mech Engn, Jinan 250100, Peoples R China

[2] Shandong Univ, Key Lab High Efficiency & Clean Mech Manufacture, Minist Educ, Jinan 250100, Peoples R China

来源：

COMPUTING, CONTROL, INFORMATION AND EDUCATION ENGINEERING | 2015年

关键词：

Molecular dynamic; Compatibility; Polymer blends; SIMULATION;

D O I：

暂无

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

In this work, we use Molecular Dynamics (MD) calculations to study the compatibility of polymer blends. The molecular model for two blends, PMMA/PVC and PP/PA6, were set up. Cohesive Energy Density (CED), solubility parameters (delta) and radial distribution function of pure substances and blends were got through MD calculation and were used to analyze the compatibility of blends. The results showed that the difference of the solubility parameter for PP and PA6 is 8.363J(1/2).cm-(3/2), while this vale is 1.921 J(1/2).cm(-3/2) for PMMA and PVC. So PMMA and PVC is miscible, while PP and PA6 is not in the studied system.

引用

页码：125 / 128

页数：4

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