Objective To more accurately predict the impact range of leakage and better reduce the damage caused by chlorobenzene leakage in chemical industrial parks a simulation method for chlorobenzene leakage was proposed. Methods The smoke and rain model in the Gaussian model was used as the mathematical model for chlorobenzene leakage diffusion. A three-dimensional virtual scene of the chemical industrial park was established using Unity3D and technologies such as particle systems animation systems and Shader rendering were utilized to simulate the dynamic changes in chlorobenzene continuous leakage diffusion in three dimensions. Results A three-dimensional simulation model was established based on real tank data from a chemical industrial park which realized the three-dimensional simulation effect of the dynamic evolution of chlorobenzene leakage and allowed for the intuitive observation of the spread of leakage. A comparative analysis of the effects of chlorobenzene diffusion from three aspects leakage time atmospheric stability and wind speed demonstrates the high realism of the simulation. Conclusion The simulation of chlorobenzene leakage provides a visual and intuitive method and provides good data support for the optimal disposal process of three-dimensional emergency rescue simulation drills in chemical industrial parks. By combining chlorobenzene damage criteria the simulation scientifically and accurately predicts the extent of harm caused by chlorobenzene spreading which helps guide the layout of chlorobenzene storage tanks in chemical industrial parks.