Abstract
Nano-SiO2 can promote cement hydration, and it is important to study the effect of nano-doping technology on the microstructure of C-S-H/epoxy resin to improve the performance of epoxy resin cement materials. In this paper, the coupling agent (kh550) molecules were grafted on the surface of nano-SiO2, and the nano-SiO2-modified epoxy resin with different grafting rates was modeled and compounded with C-S-H. The structural properties and interfacial interaction mechanism were discussed utilizing molecular dynamics (MD) simulations. The results show that: nano-SiO2 doping into epoxy resin can increase its atomic surface area, reduce the porosity and thus enhance the stiffness of the composite, and the mechanical properties are best at a surface grafting rate of 15%; with the increase of nano-SiO2 doping and cross-linking degree, the amorphous characteristics of the composite structure are reduced and the crystalline structure of C-S-H in molecular motion is optimized. At the same time, the spacing between the C-S-H layer and epoxy resin layer in the composite structure is reduced, and the interfacial binding energy is increased; due to the improved adsorption performance, the diffusion rate of Ca ions between the C-S-H and epoxy resin layers is enhanced, this phenomenon facilitates the production of hydration products.
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