| 학회 |
한국공업화학회 |
| 학술대회 |
2022년 봄 (05/11 ~ 05/13, 제주국제컨벤션센터(ICC JEJU)) |
| 권호 |
26권 1호 |
| 발표분야 |
[특별세션] 석유코크스 활용 블루수소 생산 실용화 기술(고등기술연구원) |
| 제목 |
Development of desulfurization absorbents by screening through computational chemistry |
| 초록 |
In this study, we have studied desulfurization absorbents computationally and experimentally. First, we conducted DFT calculations to perform computational screening. Our screening data predicted that copper oxides would be thermodynamically most active toward the desulfurization. Additionally, we developed porous Al2O3 support to enhance the diffusion resistance resulting in improving overall desulfurization performance. Our experimental results showed that macro-porous Al2O3 with copper oxides have distinguishable performance compared to the copper oxide supported by non-macro-porous Al2O3 due to improvement of the diffusion resistance. To reveal the CO production during the desulfurization of COS at low temperatures (~473 K), we additionally performed DFT simulation for COS absorption kinetics on various CuO surfaces. These results suggest that the Cu-based desulfurization sorbent has potential catalytic activity for producing CO from COS dissociation. |
| 저자 |
김민규1, 배다솔1, 김유진1, 이승종2, 이진욱2, 윤용승2, 박노국1
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| 소속 |
1영남대, 2고등기술(연) |
| 키워드 |
COS removal; desulfurization; Cu-based sorbent; macro-porous alumina; COS dissociation |
| E-Mail |
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