| 학회 |
한국공업화학회 |
| 학술대회 |
2019년 봄 (05/01 ~ 05/03, 부산 벡스코(BEXCO)) |
| 권호 |
23권 1호 |
| 발표분야 |
(석유화학·윤활유) 석유대체에너지의 온실가스 저감 대응 |
| 제목 |
Liquid hydrocarbon production via CO2 direct hydrogenation |
| 초록 |
Converting CO2 to liquid hydrocarbons using renewable power—so-called power-to-liquids (PTL) process—is one of the efficient ways to reduce CO2 levels given the energy density and versatility of liquid hydrocarbons. A chemical process composed of sequential thermal reactors, including reverse water gas shift and Fischer-Tropsch synthesis, is nearest to commercialization of the PTL process. Fe-based catalysts have been often used for a single reactor process because they exhibit activities in both the RWGS and FTS. But understanding the origin of its high activity is still challenging due to the complexity of the reaction mechanism and diversity of Fe phases during the reaction. In this talk, I provide reaction network for the high-throughput screening of efficient CO2 hydrogenation catalyst, based on the DFT calculations on 8 different Fe-based catalyst surfaces and microkinetic analysis. In addition, identifying active phase of Fe and promoters effect will be discussed. |
| 저자 |
김석기 |
| 소속 |
한국화학(연) |
| 키워드 |
CO2; DFT; microkinetics; active site; liquid fuel
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| E-Mail |
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