| 학회 |
한국화학공학회 |
| 학술대회 |
2021년 봄 (04/21 ~ 04/23, 부산 BEXCO) |
| 권호 |
27권 1호, p.424 |
| 발표분야 |
분리기술 |
| 제목 |
High-throughput, Multiscale Computational Screening of Metal-organic Frameworks for Energy-efficient SF6/N2 Separation |
| 초록 |
We combined high-throughput molecular simulation with process-level simulation to computationally screen CoRE MOF database 2019 with the aim of high-performing materials for SF6/N2 separation. The top 3 materials are finally selected as the promising adsorbents based on the energy consumption evaluation in each VSA and PSA cases. For the PSA simulation, ideal PSA cascade simulation is suggested to boost the SF6 maximum purity. The relations between the structural properties of MOF, the adsorption isotherm shapes of the top materials, and the adsorption process performance is analyzed looking at the top 10 screened adsorbents. |
| 저자 |
차재훈1, 정용철2, 가성빈3
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| 소속 |
1부산대, 2Pusan National Univ., 3Pusan Natinal Univ. |
| 키워드 |
분리소재; 분리공정; 흡착
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| E-Mail |
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| 원문파일 |
초록 보기 |
