CFD Simulation of Chemical Gas Dispersion Under Atmospheric Boundary Conditions

Pollutant control is one of the key concerns in the design of buildings, for the sake of occupational health, safety and environment sustainability. In particular, risk analyses related to emergency leakage of chemicals from storage tanks or chemical processes have aroused increasing attentions in recent days, as well as the effectiveness of mitigation measures in order to eliminate, reduce and control the risks. In this paper, a CFD methodology with nonreactive chemical gases treated as passive scalars has been developed to simulate the gas dispersion across urban environments, subject to atmospheric boundary layer wind conditions. Special treatments to maintain the consistency in atmospheric boundary layer flow profiles, turbulence modeling and boundary conditions have also been accounted for. The proposed CFD methodology for gas dispersion has been implemented in the open source CFD code - OpenFOAM. It has been validated by modeling the gas dispersions for two urban-related test cases: the CODASC street canyon test case measured in a laboratory wind tunnel and the Mock Urban Setting Test (MUST) field experiment conducted in the desert area of Utah State. Effects of turbulent Schmidt number (Sct) have been primarily addressed in this study. Statistical analyses about the discrepancies between predicted and experimental data have been carried out and statistical performance measures are used to quantify the accuracy of the proposed methodology. Simulations results from passive scalar transport equation demonstrate good agreement with experimental data, though tracer gases heavier than the atmospheric air were used in both the measurements. Furthermore, sensitivity tests also indicate that the accuracy of the simulation results is sensitive to the value of turbulent Schmidt number.