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A large eddy simulation approach and different breakup models are used to analyze fuel injection and atomization processes in a constant volume combustion bomb. The study is focused on the influences of the subgrid turbulent kinetic energy, especially the source term induced by the fuel spray, on the droplet movement and spray characteristics. Furthermore, the influence of different subgrid scale (SGS) models, including the constant coefficient and dynamic Smagorinsky models, WALE model and the K-equation turbulent energy transport model, on fuel sprays and the turbulent dispersion of droplets are examined. Factors affecting the fuel spray are discussed based on numerical computations for various operating conditions and are compared with experimental data.

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.