标题：Compatibility study for polymer blends based on mesodyn calculations
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; Density profile; Free energy density; Mesoscopic dynamic; Polymer blends
摘要：Mesoscopic Dynamic (MesoDyn) density function simulation was used to study the compatibility of polymer blends. The mesoscale model for two systems, PMMA/PVC and PP/PA6, were set up. The free energy, enthalpy, entropy, order parameters and density profiles were got from the simulation. The results showed that the free energy density keeps constant negative value for PMMA/PVC system and positive value for PP/PA6 system. The order parameter is much less than 0.1 for PMMA/PVC and about 0.19 for PP/PA6. Phase separation behavior was not observed during the whole simulation time for PMMA/PVC model. But phase separation behavior was emerged in the density fields of PP/ PA6 blends. These showed that PMMA and PVC is miscible, while PP and PA6 is not. The mesoscale simulation results were confirmed with experiments. © 2015 Taylor & Francis Group, London.