화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2022년 봄 (04/20 ~ 04/23, 제주국제컨벤션센터)
권호 28권 1호, p.93
발표분야 [주제 1] 계산화학
제목 C 1 to C 4 hydrocarbons reaction mechanism generator (RMG) reaction energy profile and evaluation of catalytic dry reforming process
초록 Catalytic dry reforming process capable of transforming the hydrocarbons into H2 and CO enriched synthetic gas with the presence of CO2. Here, a novel framework has been proposed to identify the optimal reaction condition for the C1 to C4 hydrocarbons based on the simulation results and its respective reaction pathways with the aid of Reaction Mechanism Generator. A variation on the combination of the operational condition of catalytic dry reforming has been made including the temperature and pressure on different catalyst surface among C1 to C4 hydrocarbons. Then, the optimal reaction condition is identified with TOPSIS considering the H2 yield and CO­2 reduction. A further identification of the reactant ratio with the variation input of CO2 are conducted. Lastly, the energy profile of the optimal reaction configuration of the selected hydrocarbons undergone catalytic dry reforming is further analyzed. Acknowledgments This work was supported by the National Research Foundation (NRF) grant funded by the Korean government (MSIT) (No. 2021R1A2C2007838) and Korea Ministry of Environment (MOE) as Graduate School specialized in Climate Change.
저자 Lim Juin Yau, 유창규
소속 경희대
키워드 촉매(Catalyst)
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