材料工程Issue(7)：44-49,6.DOI:10.3969/j.issn.1001-4381.2013.07.009
PA6/POE共混物的分子动力学与介观动力学模拟
Molecular and Mesoscopic Dynamics Properties of PA6/POE Blends
摘要
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.关键词
聚己内酰胺/聚烯烃热塑性弹性体/分子动力学/介观动力学/相容性Key words
nylon 6 (PA6) / polyolefin elastomer(POE) / molecular dynamics (MD) / mesoscopic dynamics (MesoDyn) / compatibility分类
化学化工引用本文复制引用
张彦飞,兰艳花,付一政,赵贵哲,胡国胜..PA6/POE共混物的分子动力学与介观动力学模拟[J].材料工程,2013,(7):44-49,6.基金项目
山西省青年科技研究基金(2010021023-5) （2010021023-5）
