화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2019년 가을 (10/23 ~ 10/25, 대전컨벤션센터)
권호 25권 2호, p.1962
발표분야 촉매 및 반응공학 (Catalysis and Reaction Engineering)
제목 Theoretical understanding of palladium catalysts for NOx storage during the cold start period of vehicles
초록 A three-way catalytic converter (TWC) is installed in every vehicle’s exhaust system to reduce the emissions of NOx, CO, and other incompletely burned hydrocarbons, but its performance is strongly limited at low temperature. To comply with more stringent environmental regulations, reducing the emissions during the cold start period of vehicles is critical. In this study, we explore the possibility of using metallic palladium to capture NOx and CO molecules via adsorption at low temperature (T < 200 °C), and release them via desorption at high temperature (T > 200 °C) under which TWC becomes fully operational. Computational methods such as density functional theory (DFT) and adsorbate-adsorbate interactions considered microkinetic modeling (MKM) are employed to investigate the reaction energetics and kinetics on Pd(111) and Pd(211) under different reaction conditions.
저자 Efremov Vladimir1, 이수형1, 홍광석1, 김창환2, 유종석1
소속 1서울시립대, 2현대자동차
키워드 촉매; 반응공학
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