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In this work, large eddy simulation (LES) with a K-equation subgrid turbulent kinetic energy model is implemented into the CFD code KIVA3V to study the features of liquid fuel spray and combustion using gradually varying grid in a constant volume chamber. The characteristic time-scale combustion model (CTC) incorporating a turbulent timescale is adopted to predict the combustion process and the SHELL auto-ignition model is used to predict auto-ignition. Combustion is also simulated using Parallel Detailed Chemistry with Lu's n-heptane reduced mechanism (58 species), which has been added into the KIVA3V-LES code. The computational results are compared with Sandia experimental data for non-reacting and reacting cases. As a result, LES can capture the complex structure of the spray and temperature distribution as well as the trend of ignition delay and flame lift-off length variations. Better results are obtained using the Parallel Detailed Chemistry than the CTC model.

Unlike RANS method, LES method needs more time and much more grids to accurately simulate the spray process. In KIVA, spray process was modeled by Lagrangain-drop and Eulerian-fluid method. The coarse grid can cause errors in predicting the droplet-gas relative velocity, so for reducing grid dependency due to the relative velocity effects, an improved spray model based on a gas-jet theory is used in this work and in order to validate the model seven different size grids were used. In this work, the local dense grid was used to reduce the computation cost and obtain accurate results that also were compared with entire dense grid. Another method to improve computation efficiency is the MUSCL (Monotone Upstream-centered Schemes for Conservation Laws) differencing scheme that was implemented into KIVA3V-LES code to calculate the momentum convective term and reduce numerical errors.