Techniques of numerical simulation on mold filling process of casting are investigated in this paper. The mathematical model is formed on the ground of some selected theories in computational fluid dynamics (CFD), Numerical Heat Transfer (NHT) and computational methods to interfacial tracking. The discrete solution to the governing equations appeals to Finite Volume Method (FVM) on structured mesh. As for viscous turbulence flow and multiphase fluid flow in mold filling, engineering turbulence model and Volume of Fluid (VOF) method are adopted in the algorithms, respectively. As a debut, the general-purpose CFD software is used to establish the practicable mechanical model for the simulation. By means of numerical simulation, variation and distribution of velocity, temperature, stress and configuration of casting, etc. with respect to time and space in the filling process can be quantitatively analysed in detail, which is helpful for engineers to optimize their design of technics with less time and less cost and is meaningful to provide the subsequent simulation, solidification process of casting, with initial conditions.