Conversion Performance Prediction of Thermal-Deteriorated Three-Way Catalysts: Surface Reaction Model Development Considering Platinum Group Metals and Co-Catalyst

Yukihiro Yamakawa*, Ryoya Inoue, Yunosuke Kubo, Kyohei Yamaguchi, Jin Kusaka

*Corresponding author for this work

Research output: Contribution to journalConference articlepeer-review

Abstract

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. Model gas experiments were performed to identify each reaction rate parameter. The PGM particles supported on the co-catalyst CeO2-ZrO2 had two types of active sites with different properties, i.e., sites in the particles' surface region and in a three-phase boundary (TPB) region PGM, CeO2-ZrO2 of the co-catalyst, and gas meet. The TPB active sites were more active than the PGM surface active sites. As the main factor of the catalyst deterioration mechanism, quantitative changes at the two active sites related to PGM sintering were included in the model. After sintering, the occupancy of the TPB active sites on the PGM decreased. The final TWC model was able to accurately predict the light-off conversion performance of a thermal-deteriorated Pd/CeO2-ZrO2-Al2O3 catalyst.

Original languageEnglish
JournalSAE Technical Papers
Issue number2021
DOIs
Publication statusPublished - 2021 Sep 5
EventSAE 15th International Conference on Engines and Vehicles, ICE 2021 - Capri, Italy
Duration: 2021 Sep 122021 Sep 16

ASJC Scopus subject areas

  • Automotive Engineering
  • Safety, Risk, Reliability and Quality
  • Pollution
  • Industrial and Manufacturing Engineering

Fingerprint

Dive into the research topics of 'Conversion Performance Prediction of Thermal-Deteriorated Three-Way Catalysts: Surface Reaction Model Development Considering Platinum Group Metals and Co-Catalyst'. Together they form a unique fingerprint.

Cite this