| 학회 |
한국화학공학회 |
| 학술대회 |
2018년 가을 (10/24 ~ 10/26, 대구 EXCO) |
| 권호 |
24권 2호, p.1391 |
| 발표분야 |
분리기술(Separation Technology) |
| 제목 |
Orientation Effect of DDR Zeolite Membrane for the Separation of CO2 and H2 |
| 초록 |
Zeolite is one of the most popular adsorbent due to its uniform pore structure as well as superior thermal, mechanical and chemical stabilities. In the separation of CO2 and H2 via membrane-based technology, since the kinetic diameter of H2 is quite smaller than that of CO2, the adsorbent is required to have distinctive pore size and adsorptive property. DDR zeolite having 6 and 8-membered ring windows in different orientations could be employed for the separation of these gas molecules. In this study, the orientation effect of DDR zeolite membrane on CO2 separation was investigated via molecular dynamics (MD) simulation and density functional theory (DFT) calculation. We considered two slab models, perpendicular to (001) and (101) surfaces, where adsorbed gas molecules pass through 6- and 8-membered ring windows. In the (001) slab model, both CO2 and H2 molecules undergo high-energy barrier, thereby impeded permeabilities. In contrast, in the (101) slab model, CO2 was facilitatively diffused with good permeance, resulting in high H2/CO2 separation performance. Through this study, the effectiveness of the oriented zeolite membrane in CO2 separation was shown. |
| 저자 |
이정현1, 김진철2, 김형준2, 김은주3, 최정규3, 곽상규2
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| 소속 |
1울산과학기술원 / 에너지 및 화학공학부, 2울산과학기술원, 3고려대 |
| 키워드 |
CO2 분리; 가스분리; 막분리
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| E-Mail |
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| 원문파일 |
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