Numerical Simulations of Constant-Volume Spray Combustion of n-Heptane with Chemical Kinetics

Objectives: A reduced toluene reference fuel (TRF) mechanism of multi-component nature from the literature is utilized to simulate constant-volume spray combustion of n-heptane. The approach allows a preliminary assessment of fuel kinetic model and computational fluid dynamics (CFD) formulations in a simplified computational domain before integrating them in complex engine simulations. Methods: The operating conditions vary in ambient densities between 14.8 kg/m³ and 30 kg/m³ with initial oxygen concentrations ranging from 10% to 21%. The CFD models are first calibrated to replicate spray penetration lengths of the non-reacting condition. The tuned numerical models are then applied to simulate the combustion and soot formation events of reacting sprays. The soot model employed is the multi-step Moss-Brookes model with updated oxidation models. Findings: The relative errors for ignition delay and lift-off length predictions are within 35% and 22% respectively. Furthermore, simulated soot volume fraction contours agree qualitatively with the experimental soot clouds. Computed peak soot locations, however, are found to be further downstream axially as compared to the experimental results across all test cases. Application: Good agreement with experimental spatial soot distributions allows the incorporation of both fuel and soot models in engine configurations.