Effect of heat transfer on the reduction of the detailed chemical kinetics mechanism in a homogeneous charge compression ignition combustion engine

In homogeneous charge compression ignition engines, the ignition takes place in the absence of any external source, initiated by the autoignition of the well-mixed in-cylinder charge. The heat loss from the hot combustion gases to the surroundings causes the thermal conditions in the cylinder to deteriorate. These conditions are governed by the interaction of the chemical processes with the temperature and pressure changes in the cylinder. As a result, the heat release rate and the heat transfer inside the combustion chamber play significant roles in the homogeneous charge compression ignition combustion mode. The use of detailed chemical kinetics mechanisms in predictive combustion models increases the simulation time, which makes the utilization of these mechanisms questionable. As a result, reduced mechanisms of smaller sizes are required. However, in developing a reduced chemical kinetics mechanism from the detailed chemical kinetics mechanism, it is not common to consider the role of heat transfer, and this is needed to focus on only the kinetics aspects of homogeneous charge compression ignition. The objective of this work is to investigate the effect of heat transfer (through the boundaries of the combustion chamber) on the development of the reduced mechanisms from the detailed mechanisms. A single-zone combustion model is used to simulate the homogeneous charge compression ignition engine. Insignificant species and reactions of the detailed GRI-Mech 3.0 mechanism are eliminated by employing a two-stage reduction process based on a directed relation graph with error propagation and principal-component analysis methods respectively. Several different operating conditions are considered. The results demonstrate that the reduction process based on the directed relation graph with error propagation is hardly affected by considering the heat transfer. However, taking into account the heat transfer slightly influences the reduction process based on the principal-component analysis. Simulation outcomes from the generated mechanisms under adiabatic conditions and non-adiabatic conditions agree closely with the results obtained from the detailed mechanism. The differences in the crank angle when 50% of heat is released, the peak pressure and the maximum heat release between the original mechanisms and the reduced mechanisms are less than 1 degrees crank angle, 1% and 1% respectively. Therefore, for a chemical mechanism reduction strategy, considering the heat transfer component will lead to only a minor effect on the generated reduced mechanism.