
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
miaoxp@mail.buct.edu.cn (X.P.M)
chengdj@mail.buct.edu.cn (D.J.C)
lixy@mail.buct.edu.cn (X.Y.L.)
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Xue-Pei Miao, Dao-Jian Cheng, Ya-Dong Dai, et al. Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems. [J]. Chinese Journal of Polymer Science 36(8):991-998(2018)
Xue-Pei Miao, Dao-Jian Cheng, Ya-Dong Dai, et al. Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems. [J]. Chinese Journal of Polymer Science 36(8):991-998(2018) DOI: 10.1007/s10118-018-2114-y.
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.
ModulusMolecular simulationEpoxy resin
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