This paper describes an application of the partial chemical equilibrium method considered chemical kinetics in computational fluid dynamics (CFD). In this method, fuels and oxidants are mixed at a turbulent rate so that a mixture gas of fuel and oxygen is generated. Next, the mixture gas of fuel and oxygen is burnt by molecular diffusion thereby resulting in combustion gases. The turbulent mixture rate is estimated by the eddy dissipation model and the burning velocity is evaluated by the Arrhenius equation. Finally, the combustion products are calculated by the chemical equilibrium method by using the combustion gases. One of the advantages of this method is its ability to calculate the combustion products without using chemical equations. The chemical equilibrium method requires only thermo-chemical functions (specific heat, standard enthalpy, etc). This method can be applied to incinerators or some complex combustion instruments and it can predict the intermediate chemical species of dioxins, etc.
A method of calculating of the thermodynamic properties and the composition of the explosion products of hydrocarbons and air under partial chemical equilibrium
