The invention discloses a method for determining the leakage pollution range of a hazardous chemical substance, and the method comprises the following steps: s1, determining a simulation scene, and obtaining the meteorological and hydrological information, geographic feature information and leakage source information of a leakage accident generation region; s2, establishing a three-dimensional geometric model of an area near the leakage source, and performing mesh generation; s3, importing the grid into a fluid flow module in finite element analysis software; s4, setting material characteristics and boundary conditions in finite element analysis software according to the information acquired in the step s1, meanwhile, judging whether the leaked substances have phase change or not, and setting an inter-phase mass transfer model according to the phase change type; s5, selecting an appropriate convergence condition and a sub-relaxation factor, calculating a step length, and carrying out numerical calculation; and s6, after calculation is finished, analyzing a result to obtain concentration field distribution, diffusion velocity field distribution and diffusion path data of the leakedsubstances. According to the method, the diffusion ranges of the liquid-phase hazardous chemical substance and the vapor cloud thereof can be determined at the same time, and a hazardous chemical substance concentration distribution cloud chart is provided.