标题：Molecular dynamics analysis of PMMA/PVC and PP/PA6 blends
作者机构：[Zhang, Min ] School of Mechanical Engineering, Shandong University, Jinan, China;[Zhang, Min ] Ministry of Education Key Laboratory of High Efficienc 更多
会议名称：2nd International Conference on Computer, Intelligent and Education Technology, CICET 2015
会议日期：11 April 2015 through 12 April 2015
来源：Computing, Control, Information and Education Engineering - Proceedings of the 2015 2nd International Conference on Computer, Intelligent and Education Technology, CICET 2015
关键词：Compatibility; Molecular dynamic; Polymer blends
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 (δ) 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 8.363J1/2·cm-3/2, while this vale is 1.921 J1/2·cm-3/2 for PMMA and PVC. So PMMA and PVC is miscible, while PP and PA6 is not in the studied system. © 2015 Taylor & Francis Group, London.