Surface interaction energy simulation of ceramic materials with epoxy resin

L. Fei-Zhou; L. Zheng-Lin; Y. Zhi-Huai; Q. Kai

doi:10.14314/polimery.2015.468

Published : 2015-08-30

Vol. 60 No. 7-8 (2015)

Surface interaction energy simulation of ceramic materials with epoxy resin

L. Fei-Zhou L. Zheng-Lin Y. Zhi-Huai Q. Kai

DOI: https://doi.org/10.14314/polimery.2015.468

Abstract

A new method to calculate the surface interaction energy of ceramic particles and epoxy resin network was investigated using the Material Studio software solution. Detailed simulations were performed with molecular dynamics (MD) method, using Amorphous Cell module, creating relatively simple surface models of polymer (epoxy resin) and ceramics (Al2O3, SiO2 and SiC). The surface models obtained were used to calculate properties and the surface interaction energy of the materials studied. The computed results are in good agreement with the experimental data, confirming the ability to employ the described simulation method in theoretical evaluation of interaction between various filler or reinforcing materials and the polymer matrix.

Keywords

epoxy resin ; simulation ; interaction energy ; ceramic material żywica epoksydowa ; symulacja ; energia oddziaływań ; materiał ceramiczny

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Fei-Zhou, L., Zheng-Lin, L., Zhi-Huai, Y., & Kai, Q. (2015). Surface interaction energy simulation of ceramic materials with epoxy resin. Polimery, 60(7-8), 468-471. https://doi.org/10.14314/polimery.2015.468

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L. Fei-Zhou fz1010@sohu.com

Affiliation
Xi’an University of Technology, School of Material Science and Engineering, Xi’an 710048, China

L. Zheng-Lin

Affiliation
Xi’an University of Technology, School of Material Science and Engineering, Xi’an 710048, China

Y. Zhi-Huai

Affiliation
Xi’an University of Technology, School of Material Science and Engineering, Xi’an 710048, China

Q. Kai

Affiliation
Jiangsu University of Science and Technology, School of Material Science and Engineering, Jiangsu 212003, China