Phase-field model of graphene aerogel formation by ice template method

A phase-field model is exploited to simulate the microstructure of graphene aerogel formation during the water freezing process. The nucleation of ice grains and the graphene redistribution play significant roles in preparation of graphene aerogel by the ice template method. Our simulation clarifies the process of polycrystalline ice nucleation, the graphene redistribution between the ice-water interface and the anisotropic growth process of ice grains. The result shows that the morphology and size of the graphene wall structure in aerogel are derived from the comprehensive effects of ice nucleation, polycrystalline growth, and graphene diffusion. The present study therefore contributes to the understanding of graphene aerogel formation and provides guidance for experiments to design a high specific surface area, light weight, and high strength three-dimensional porous structure.A phase-field model is exploited to simulate the microstructure of graphene aerogel formation during the water freezing process. The nucleation of ice grains and the graphene redistribution play significant roles in preparation of graphene aerogel by the ice template method. Our simulation clarifies the process of polycrystalline ice nucleation, the graphene redistribution between the ice-water interface and the anisotropic growth process of ice grains. The result shows that the morphology and size of the graphene wall structure in aerogel are derived from the comprehensive effects of ice nucleation, polycrystalline growth, and graphene diffusion. The present study therefore contributes to the understanding of graphene aerogel formation and provides guidance for experiments to design a high specific surface area, light weight, and high strength three-dimensional porous structure.