Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems

作     者：Xue-Pei Miao Dao-Jian Cheng Ya-Dong Dai Yan Meng Xiao-Yu Li 

作者机构：Key Laboratory of Carbon Fiber and Functional Polymers Ministry of Education College of Materials Science and Engineering Beijing University of Chemical Technology Beijing 100029 China State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical Technology Beijing 100029 China Neo Trident Technology Ltd (Beijing) Beijing 100190 China 

出 版 物：《Chinese Journal of Polymer Science》 (高分子科学（英文版）)

年 卷 期：2018年第36卷第8期

页      面：991-998页

核心收录：

学科分类：08[工学] 0817[工学-化学工程与技术] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 

基　　金：financially supported by CHEMCLOUD-COMPUTING the National Natural Science Foundation of China (No.51173012) 

主　　题：Modulus Molecular simulation Epoxy resin 

摘      要：It has been experimentally shown that epoxide-terminated hyperbranched polyether sulphone （EHBPES） can significantly improve the mechanical properties of traditional diglycidyl ether of bisphenol A/triethylenetetramine （DGEBA/TETA） systems, but the origin of the improvement is still unclear. In this work, we used molecular dynamics （MD） simulations to gain a thorough understanding of the origin of modulus improvement for EHBPES/DGEBA/TETA systems. It is found that the modulus of EHBPES/DGEBA/TETA systems increases with the increase of EHBPES loading. In addition, the crosslinking density, cohesive energy density （CED）, and free volume can be used to understand the modulus for EHBPES/DGEBA/TETA systems. It is shown that the highest modulus is achieved at 7 wt% EHBPES loading due to the highest crosslinking density and CED. When EHBPES loading is below 7 wt%, the higher CED and crosslinking density are responsible for the higher modulus. At higher loadings （〉 7 wt%）, the decreased modulus is closely related to the decreased crosslinking density and increased fractional free volume. It is expected that our results could be of great implications for designing high-performance epoxy materials.