Simulation of toxic substance dispersion using CFD

Abstract

The study addresses the simulation of atmospheric dispersion of toxic substances, specifically ammonia, using Computational Fluid Dynamics (CFD). COMSOL 6.2 software is employed to model the dispersion in two and three dimensions, applying k-ε turbulence models and Large Eddy Simulation (LES), along with the Transport of Diluted Species model. The research focuses on the hydrodynamics of turbulent flows and chemical dispersion, considering the complexities and nonlinearities of these phenomena. The results show the evolution of a toxic ammonia cloud, highlighting the importance of CFD in predicting behaviors and supporting decision-making in emergency situations. The 3D simulations emphasize the challenges in accurate prediction due to variations in velocity and concentration at different points within the domain. To summarize, although CFD is a powerful tool, significant limitations remain that require further research to improve accuracy and effectiveness in managing chemical emergencies.