Freezing simulation of free water and water in calcium silicate hydrate based on coarse-grained molecular dynamics
Calcium silicate hydrate is the main hydration product of cement-based materials,and the water in its pores is the main factor affecting the frost resistance of cement-based materials.This paper studies the freezing mechanism of calcium silicate hydrate pore water based on the coarse-grained molecular dynamics method.A freezing model of calcium silicate hydrate pore water is established for the coarse-grained P4 particles and calcium silicate hydrate colloidal particles of water.Based on this model,the freezing point of pore water with different pore diameters is calculated,and the damage degree of pore water in cement-based materials during freeze thaw is analyzed;The freezing distribution characteristics and density distribution characteristics of water in the pores of calcium silicate hydrate are determined.The research work shows that the model established in this paper effectively improves the scale of molecular dynamics simulation of calcium silicate hydrate pore water freezing problems,provides a model basis for subsequent cement pore water freezing simulation,and creates a scientific basis for revealing the freeze-thaw failure mechanism of cement-based materials.
calcium silicate hydratephase transition behaviourcoarse-grainedmolecular dynamicsfreezing point
万方数据
维普
