Modelling the premixed charge compression ignition (PCCI) engine requires a balanced approach that captures both fluid motion as well as low- and high-temperature fuel oxidation. A fully integrated computational fluid dynamics (CFD) and chemistry scheme (i.e. detailed chemical kinetics solved in every cell of the CFD grid) would be the ideal PCCI modelling approach, but is computationally very expensive. As a result, modelling assumptions are required in order to develop tools that are computationally efficient, yet maintain an acceptable degree of accuracy. Multi-zone models have been previously shown accurately to capture geometry-dependent processes in homogeneous charge compression ignition (HCCI) engines. In the presented work, KIVA-3V is fully coupled with a multi-zone model with detailed chemical kinetics. Computational efficiency is achieved by utilizing a low-resolution discretization to solve detailed chemical kinetics in the multi-zone model compared with a relatively high-resolution CFD solution. The multi-zone model communicates with KIVA-3V at each computational timestep, as in the ideal fully integrated case. The composition of the cells, however, is mapped back and forth between KTVA-3V and the multi-zone model, introducing significant computational time savings. The methodology uses a novel re-mapping technique that can account for both temperature and composition non-uniformities in the cylinder. Validation cases were developed by solving the detailed chemistry in every cell of a KIVA-3V grid. The new methodology shows very good agreement with the detailed solutions in terms of ignition timing, burn duration, and emissions.

Homogeneous Charge Compression Ignition (HCCI) combustion is a process dominated by chemical kinetics of the fuel-air mixture. The hottest part of the mixture ignites first, and compresses the rest of the charge, which then ignites after a short time lag. Crevices and boundary layers generally remain too cold to react, and result in substantial hydrocarbon and carbon monoxide emissions. Turbulence has little effect on HCCI combustion, and may be most important as a factor in determining temperature gradients and boundary layer thickness inside the cylinder. The importance of thermal gradients inside the cylinder makes it necessary to use an integrated fluid mechanics-chemical kinetics code for accurate predictions of HCCI combustion. However, the use of a fluid mechanics code with detailed chemical kinetics is too computationally intensive for today's computers. This paper presents a hybrid procedure that uses a fluid mechanics code (KIVA) and a detailed chemical kinetics code (HCT; Hydrodynamics, Chemistry and Transport). First, the fluid mechanics code is run to evaluate the temperature distribution inside the cylinder without combustion, and the information is then fed into the chemical kinetics code. This two-step procedure takes full account of the effects of temperature gradients inside the cylinder, with a much-reduced computational intensity that makes it accessible to current computers. The predictions have been compared to recent experimental results. The computations do an excellent job at predicting maximum pressure, burn duration, indicated efficiency and combustion efficiency. Agreement in HC and CO emissions is not as good, and some possible explanations for the disagreement are discussed. The paper also includes a discussion of the chemical kinetics of HCCI combustion.

Homogeneous Charge Compression Ignition (HCCI) engines can have efficiencies as high as compression-ignition, direct-injection (CIDI) engines (an advanced version of the commonly known diesel engine), while producing ultra-low emissions of oxides of nitrogen (NOx) and particulate matter (PM). HCCI engines can operate on gasoline, diesel fuel, and most alternative fuels. While HCCI has been demonstrated and known for quite some time, only the recent advent of electronic sensors and controls has made HCCI engines a potential practical reality. This paper provides a comprehensive overview of the current state-of-the-art in HCCI technology, estimates the potential benefits HCCI engines could bring to U.S. transportation vehicles, and lists the R&D barriers that need to be overcome before HCCI engines might be considered for commercial application.