A three-dimensional (3D) model of toxic gas diffusion was advanced based on Monte Carlo method with the presupposition that toxic gas diffusion process can be considered as random walk process of a large number of toxic gas particles. Compared to other existing models, this model includes analysis of both movement and non-movement attributes of toxic gas particles, and can well meet the need of dynamic simulation. Then, a 3D gas diffusion visualization scene management subsystem, including leak hazard source (tank), leak background (ground and sky) and surroundings near the leak area, was developed based on virtual reality (VR) technology. In this system, diffusion scene can be designed in accordance with the reality, which embodies the reunification between VR technology and engineering application. Finally, according to OpenGL particle system theory, by using Delphi and OpenGL as main programming tools, the diffusion simulation subsystem of toxic gas diffusion process and real-time concentration prediction and consequence simulation subsystem was completed. Application shows that by using VR technology in the accident consequence simulation, the whole system is of real-time, lifelike and visual characteristics, which not only embodies the great engineering value of virtual reality technology in the field of safety engineering, but also provides references for accident impact prediction, assessment and emergency plan. (C) 2009 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.