Influence Mechanism of Graphite Oxide on PVA Fiber-CSH Interface Based on Molecular Dynamics

Abstract

Abstract: The macroscopic mechanical properties of fiber reinforced concrete are closely related to the interfacial bonding of fiber/matrix. In this paper, the effect of graphene oxide (GO) on the interfacial bonding of polyvinyl alcohol fiber (PVA)/matrix was studied by molecular dynamics simulation. The results show that when GO and PVA fiber are connected by covalent bond, the tensile force required for PVA fiber to be pulled out from concrete is the largest, and the presence of GO can improve the interfacial bonding performance between fiber and matrix. The concrete matrix and GO are mainly connected by calcium-oxygen bonds and hydrogen bonds, in which the number of calcium-oxygen bonds is large and the strength of chemical bonds is high. However, when GO and PVA fiber are physically connected, GO and PVA fiber are only connected by weak hydrogen bonds, which has a negative effect on the bonding performance of interface. In addition, GO is bound by more ionic bonds and hydrogen bonds, the atomic translational motion is reduced, and the interfacial bonding performance with matrix is improved.

Key words: graphene oxide, PVA fiber, concrete, interface, molecular dynamics

CLC Number:

TU528

ZANG Yun, WANG Pan, WANG Muhan, WANG Xinpeng, HOU Dongshuai, ZHAO Tiejun. Influence Mechanism of Graphite Oxide on PVA Fiber-CSH Interface Based on Molecular Dynamics[J]. BULLETIN OF THE CHINESE CERAMIC SOCIETY, 2023, 42(11): 3799-3806.

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