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 

机构地区：[1]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 [2]State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China [3]Neo Trident Technology Ltd (Beijing), Beijing 100190, China

出　　处：《Chinese Journal of Polymer Science》2018年第8期991-998,共8页高分子科学（英文版）

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

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.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.

关 键 词：MODULUS Molecular simulation Epoxy resin 

分 类 号：TQ323.5[化学工程—合成树脂塑料工业]