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Detailed chemical kinetics is essential for accurate prediction of combustion performance as well as emissions in practical combustion engines. However, implementation of that is challenging. In this work, dynamic adaptive chemistry (DAC) is integrated into large eddy simulations (LES) of an n-heptane spray flame in a constant volume chamber (CVC) with realistic application conditions. DAC accelerates the time integration of the governing ordinary differential equations (ODEs) for chemical kinetics through the use of locally (spatially and temporally) valid skeletal mechanisms. Instantaneous flame structures and global combustion characteristics such as ignition delay time, flame lift-off length (LOL) and emissions are investigated to assess the effect of DAC on LES-DAC results. The study reveals that in LES-DAC simulations, the auto-ignition time and LOL obtain a well agreement with experiment data under different oxygen concentrations.

In the present study, an improved multi-dimensional CFD code has been used to simulate the mixture formation and combustion process of a DI diesel engine. WAVE breakup model constants C0 and C1 are modified according to a linear expression, which is a function relation to the gas pressure in-cylinder. Reasonable agreements of the measured and simulated data of in-cylinder pressure, mean temperature, NOx and soot emissions were achieved for different engine operation conditions. At the same time, the effects of different spray angles on the diesel engine mixture formation and combustion have been further simulated based on the improved multi-dimensional fuel spray and combustion models. The influence of different testing conditions mentioned above on the PM and gaseous pollutant was also discussed in this paper. Predicted trends of soot and NOx formation are also presented together with the corresponding measured data.

Gasoline direct injection engines can greatly improve the fuel economy, but the idea mixture distribution cannot be easily controlled. In this paper, the linearized instability sheet atomization (LISA) and large eddy simulation (LES) implemented into KIVA-3V code were used to study the gasoline hollow cone spray process for gasoline direct injection (GDI) in a constant volume vessel. The three-dimensional results show that the LISA model can effectively simulate the gasoline hollow cone spray and obtain the string structure compared to the experiment data. And the velocity interpolation method can reduce the grid dependency of spray simulation. Using dense grid (about 8 million cells) in LES and RANS all can obtain the good spray tip penetration and width. Unlike diesel spray, for gasoline spray there are not big difference between the results using LES and RANS. In additional the ambient pressure significantly influence the gasoline spray shape.

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.

Early injection timing is an effective measure of pre-mixture formation for diesel low-temperature combustion. Three algebraic subgrid models (Smagorinsky model, dynamic Smagorinsky model and WALE model) and one-equation kinetic energy turbulent model using modified TAB breakup model (MTAB model) have been implemented into KIVA3V code to make a detailed large eddy simulation of the atomization and evaporation processes of early injection timing in a constant volume chamber and a Ford high-speed direct-injection diesel engine. The results show that the predictive vapor mass fraction and liquid penetration using LES is in good agreement with the experiment results. In combustion chamber, the sub-grid turbulent kinetic energy and viscosity using LES are less than with the RANS models, and following the increasing time, the sub-grid turbulent kinetic energy and viscosity also increase and are concentrated on the spray area.