Numerical simulations of the leakage and diffusion behavior of liquid CO2 vessels and security analyses were conducted in this paper, based on a CO2 compression energy storage system. With isentropic choking model, the leakage of vessels under specific conditions was numerically simulated. The influence of different wind speeds on leakage in near-zone field was studied. Meanwhile, the diffusion characteristics of CO2 under three different influencing factors were investigated with the UDM (Unified Dispersion Model) diffusion model, and the diffusion ranges of certain concentrations were detected in the far-zone field. The results show that the low-temperature zone of the 50 mm leak aperture can reach 0.74 m downwind, and basically does not change with wind speed. In the leakage direction, the maximum damage zone of high-speed flow can reach 7.70 m. For the far-zone field, the diffusion area and downwind distance of a dangerous concentration decrease with the increasing of wind speed, and the hazardous area of the low concentration is greatly affected. Based on specific conditions, the maximum diffusion area is 78.46 m2 at 1 m/s wind speed, and the dangerous range reaches 36.32 m downwind. The larger the leakage aperture, the faster the growth trend of the low concentration area under the same conditions. As the equivalent radius of the leakage aperture is less than 50 mm, the maximum diffusion area is proportional to the cubic of the leakage aperture radius. The higher the height of the leakage source, the smaller the concentration range at 1.5 m, which is the average human breathing height. The overall cloud moves upward, meaning that the ground risk decreases. When the leakage aperture is 50 mm and the wind speed is 1 m/s, the maximum cloud diffusion range is 857.35 m2 at the leakage height of 2 m, and the dangerous range reaches 109.53 m downwind, where the maximum concentration is 14.65%.
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