화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2021년 봄 (04/21 ~ 04/23, 부산 BEXCO)
권호 27권 1호, p.721
발표분야 열역학 분자모사
제목 An investigation of kinetic selectivity of SF6 during the formation and dissociation ofSF6 + N2 hydrates
초록 In this study, hydrate-based gas separation (HBGS) was adopted to capture SF6 and the kinetic selectivity of SF6 during the hydrate formation and dissociation process was closely examined via experimental and computation approaches. Time-dependent enclathrating and releasing behaviors of SF6 and N2 in the hydrate phase were analyzed using both in-situ Raman spectroscopy and gas chromatography. Furthermore, the kinetic selectivity of SF6 was also investigated using microsecond MD simulations. The SF6 composition in the hydrate phase was consistently higher than that of N2 and remained almost constant throughout the hydrate formation and dissociation, indicating that SF6 was a thermodynamically selective, but not kinetically selective. The results provide a better understanding of formation and dissociation kinetics of SF6 + N2 hydrates and will be helpful for designing and operating the hydrate-based SF6 separation process from SF6 + N2 gas mixtures.
저자 고결, 고우진, 서용원
소속 울산과학기술원
키워드 열역학; 분자모델링 및 전산모사
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