| 학회 |
한국공업화학회 |
| 학술대회 |
2021년 가을 (11/03 ~ 11/05, 대구 엑스코(EXCO)) |
| 권호 |
25권 2호 |
| 발표분야 |
포스터-촉매 |
| 제목 |
Computation based Screening Strategy for Promising Spinel-structured Oxygen Carrier Material of Chemical Looping Combustion: Transition Metal-doped CuMn2O4 |
| 초록 |
We performed density functional theory calculations to elucidate rate limiting steps of CH4 oxidation on spinel structure of CuMn2O4 which had been proposed to be a promising oxygen carrier. Our computational results predict that C-H bond cleavage of CH3O and CO formation are the rate limiting steps. With these predicted rate limiting steps, we computationally explored dopant effects on the surface reactions of CH4 complete oxidation to improve the reduction rate of oxygen carrier; Ti, V, Cr, Mn, Fe, Co, Ni and Zn have been tested. The results show that adding small amount of Ni or V would significantly improve the reduction rate of CuMn2O4 by CH4(g) during the chemical looping combustion. |
| 저자 |
서보석1, 김다영1, 손남규1, 강미숙1, 백점인2, 박노국1, 강도형1, 김민규1
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| 소속 |
1영남대, 2한국전력공사 |
| 키워드 |
Desulfurization; Macro porous Al2O3 support; COS
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| E-Mail |
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