The modeling of explosion dynamics for vessels, enclosures, energy storage systems, and other interconnected and complex geometries requires detailed chemical equilibrium calculations to properly resolve the transient PVT behavior during the explosion. Performing detailed chemical equilibrium calculations by computational fluid dynamics computer codes is not practical and cost prohibitive, even though it can be done using well established methods by direct minimization of the Gibbs free energy. However, we can create a reduced analytical model, often referred to as a constant γ model, that can be easily matched to detailed chemical equilibrium calculations. The reduced analytical model is constructed to optimize the fidelity of the representation of the overpressure properties, which is of most interest and importance for practical explosion dynamics modeling. The constant γ model is optimized to provide the best match of the Chapman-Jouguet solutions as produced by detailed chemical equilibrium calculations. We demonstrate how constant γ models can easily be developed with SuperChems™, a component of Process Safety Office®, for use in explosion dynamics codes and the explosion dynamics models of SuperChems™.
Figure 4: SuperChems™ Expert Rankine-Hugoniot Inputs for Methane-Air combustion
Figure 5: SuperChems™ Expert Rankine-Hugoniot Estimates for Methane-Air Combustion
Figure 6: SuperChems™ Expert Graphical Representation of Methane-Air Combustion Rankine-Hugoniot Example
Figure 7: SuperChems™ Expert Regression of Simple Working Fluid Parameters
To download our resources, you must become a registered site user. After you register, you will receive an email with a login username and password.