Citation: Xue-Pei Miao, Dao-Jian Cheng, Ya-Dong Dai, Yan Meng, Xiao-Yu Li. Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems[J]. Chinese Journal of Polymer Science, ;2018, 36(8): 991-998. doi: 10.1007/s10118-018-2114-y shu

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

Xue-Pei Miao ^1,, ,
Dao-Jian Cheng ^2,, ,
Ya-Dong Dai ³ ,
Yan Meng ^1,2 ,
Xiao-Yu Li ^1,2,,

a.
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
b.
State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
c.
NeoTrident Technology Ltd (Beijing), Beijing 100190, China

Corresponding author: Xue-Pei Miao, miaoxp@mail.buct.edu.cn Dao-Jian Cheng, chengdj@mail.buct.edu.cn Xiao-Yu Li, lixy@mail.buct.edu.cn
Received Date: 17 November 2017
Accepted Date: 26 January 2018
Available Online: 13 April 2018

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.
- Modulus,
- Molecular simulation,
- Epoxy resin
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