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Three-way catalyst (TWC) converters can purify harmful substances, such as carbon monoxide, nitrogen oxides, and hydrocarbons, from the exhaust gases of gasoline engines. However, large amounts of these substances may be emitted before the TWC reaches its light-off temperature during cold starts, and its performance may be impaired by thermal deterioration during high-load driving. In this work, a simulation model was developed using axisuite commercial software by Exothermia S.A to predict the light-off conversion performance of Pd/CeO2-ZrO2-Al2O3 catalysts with different degrees of thermal deterioration. The model considered detailed surface reactions and the main factor of the deterioration mechanism. In the detailed reaction mechanism, adsorption, desorption, and surface reactions of each gas species at active sites of the platinum group metal (PGM) particles were considered based on the Langmuir-Hinshelwood mechanism.

The first objective of this work is to develop a numerical simulation model of the spark ignited (SI) engine combustion, taking into account knock avoidance and heat transfer between in-cylinder gas and combustion chamber wall. Secondly, the model was utilized to investigate the potential of reducing heat losses by applying a heat insulation coating to the combustion chamber wall, thereby improving engine thermal efficiency. A reduction in heat losses is related to important operating factors of improving SI engine thermal efficiency. However, reducing heat losses tends to accompany increased combustion chamber wall temperatures, resulting in the onset of knock in SI engines. Thus, the numerical model was intended to make it possible to investigate the interaction of the heat losses and knock occurrence. The present paper consists of Part 1 and 2.

The objective of this work is to develop a numerical simulation model of spark ignited (SI) engine combustion and thereby to investigate the possibility of reducing heat losses and improving thermal efficiency by applying a low thermal conductivity and specific heat material, so-called heat insulation coating, to the combustion chamber wall surface. A reduction in heat loss is very important for improving SI engine thermal efficiency. However, reducing heat losses tends to increase combustion chamber wall temperatures, resulting in the onset of knock in SI engines. Thus, the numerical model made it possible to investigate the interaction of the heat losses and knock occurrence and to optimize spark ignition timing to achieve higher efficiency. Part 2 of this work deals with the investigations on the effects of heat insulation coatings applied to the combustion chamber wall surfaces on heat losses, knock occurrence and thermal efficiency.