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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.

Three-way catalyst (TWC) converters are often used to purify toxic substances contained in exhaust emissions from gasoline engines. However, a large amount of CO, NOx and THC may be emitted before the TWC reaches its light-off temperature during a cold start. In this work, a numerical model was developed for studying the purification performance of a close-coupled TWC converter during the cold start period. The TWC model was built using axisuite, commercial software by Exothermia S.A. Model gas experiments were designed for calibrating the chemical reaction scheme and corresponding reaction rate parameters in the TWC model. The TWC model was able to simulate the purification performance of CO, NOx and THC under both lean and rich air-fuel equivalence ratios (λ) for different conditions. The light-off temperature and oxygen storage capacity (OSC) behavior were also successfully validated in the model. Vehicle tests were conducted on a chassis dynamometer to verify the TWC model.