Molecular and Mesoscopic Dynamics Properties of PA6/POE Blends
ZHANG Yan-fei1,2, LAN Yan-hua3, FU Yi-zheng1,2, ZHAO Gui-zhe1,2, HU Guo-sheng2
1. Research Center for Engineering Technology of Polymeric Composites of Shanxi Province, North University of China, Taiyuan 030051, China;
2. College of Material Science and Engineering of North University of China, Taiyuan 030051, China;
3. School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 100081, China
Abstract：PA6 and POE were simulated by molecular dynamics (MD) and mesoscopic dynamics (MesoDyn) for predicting properties of PA6/POE blends such as the compatibility, the glass transition temperature (Tg), mechanical properties and binding energy of PA6/POE blends. Results show that the Tg has been determined by the slope of the V-T simulation data, and the Tg of PA6/POE are respectively corresponding to Tg of PA6 and POE, which are incompatible system. MesoDyn simulation method was used to simulate the mesoscopic phase separation behavior of PA6/POE. The order parameters computed for the blends can predict that the blends are incompatible systems. Therefore, the method used in this work is a useful tool to provide properties of a given polymer blends. In addition, it is a promising technique to help screen polymer formulations before experimental tests.
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2013, Vol. 0 
