文献类型：期刊文献

英文题名：Microphase separation and morphology of the real polymer system by dynamic density functional theory, based on the equation of state

作者：Xu, Hui[1]; Wang, Tengfang[1]; Huang, Yongmin[1]; Liu, Honglai[1]; Hu, Ying[1]

机构：[1] State Key Laboratory of Chemical Engineering, Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China

年份：2008

卷号：47

期号：17

起止页码：6368

外文期刊名：Industrial and Engineering Chemistry Research

收录：EI(收录号：20083911587395)

语种：英文

外文关键词：Polybutadienes - Microphase separation - Morphology - Density functional theory - Polymer blends

摘要：Microphase separation and morphology evolution of polystyrene and polybutadiene blends are quantitatively studied by the dynamic density functional theory that is based on the equation of state (EOS-based DDFT). The structure parameters of coarse-grained beads are regressed from the experimental pressure-volume-temperature data of pure components. The comparisons between simulated and experimental results are presented as illustrations. Notably, in the region near the critical composition, the deviation of the order-disorder transition temperature between simulation and experiment is