Agradecimentos: Thanks are due to CENAPAD-SP (National Centre for High Performance Computing in Sao Paulo, Brazil.) (project number: proj631), Campinas/FINEP - MCT project

The numerical simulation of gas dispersion is of great importance in various areas of engineering such as optimisation, synthesis of chemical process, petroleum industry and process safety. The OpenFOAM (Open Field Operation and Manipulation) code is a free and open source computational fluid...

The numerical simulation of gas dispersion is of great importance in various areas of engineering such as optimisation, synthesis of chemical process, petroleum industry and process safety. The OpenFOAM (Open Field Operation and Manipulation) code is a free and open source computational fluid dynamics (CFD) program. The current research is focused on the development and customisation of a computational tool for handling gas dispersion of heavy gases, such a LNG and CO2. The novel CFD tool relies on OpenFOAM framework. The core of the work is based on the OpenFOAM solver rhoReactingBuoyantFoam to handle gas dispersion. A series of CFD simulations has been performed for methane and CO2. The source term of the former is modelled by HSM (Hybrid Switch Model). The model comprises contribution from HEM (Homogeneous Equilibrium Model) approach, frozen model and non-equilibrium model for CO2 leak. The novel approach switches between equilibrium and non-equilibrium conditions based on the meta-stable parameter on the grounds of thermodynamics and experimental observations. Good agreement with experimental data is observed. Numerical findings for methane leakage from the proposed CFD tool are compared with experimental data and FLACS. Good agreement is observed

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