Experimental and Analytical Examination of the Development of Inhomogeneities and Autoignition During Rapid Compression of Hydrogen-Oxygen-Argon Mixtures

The reliable prediction of the processes leading to autoignition during the rapid compression of an initially homogeneous mixture of fuel and air requires the coupled modeling of multidimensional fluid dynamics and heat transfer together with a sufficiently detailed description of the chemical kinetics of the oxidation reactions. To satisfy fully such requirements tends at present to be unmanageable. The paper describes an improvised approach that combines multidimensional fluid dynamics modeling (CFD KIVA-3) with derived variable effective global chemical kinetic data. These were generated through a fitting procedure of the corresponding results obtained while using a detailed chemical kinetic scheme; albeit with uniform properties, at constant volume and an initial state similar to that existing during the ignition delay. It is shown while using such an approach that spatially nonuniform properties develop rapidly within the initially homogeneous charge due to piston motion, heat transfer and any preignition energy release activity. This leads autoignition to take place first within the hottest region and a reaction front progresses at a finite rate to consume the rest of the mixture. The present contribution examines the compression ignition of hydrogen-oxygen mixtures in the presence of argon as a diluent. Validation of the predicted results is made using a range of corresponding experimental values obtained in a single-shot pneumatically driven rapid compression apparatus. It is to be shown that the simulation which indicates the build up of temperature gradients during the compression stroke, predicts earlier autoignition than that obtained with a single-zone simulation. Good agreement between predicted and experimental results is achieved, especially for lean and stoichiometric mixtures under high compression ratio conditions. The CFD-based simulation results are found to be closer to the corresponding experimental results than those obtained with an assumed reactive system of uniform properties and using detailed reaction kinetics.