화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2002년 가을 (10/24 ~ 10/26, 서울대학교)
권호 8권 2호, p.2897
발표분야 공정시스템
제목 분자 전산 모사를 통한 멤브레인 기체 투과 현상 예측
초록 Amorphous silica membrane is prepared and non-adsorbed gas permeation is permeated using molecular dynamics (MD) simulation. The permeation is observed and the permeability of each gas is estimated from the number of permeated molecules. It is compared with experimental data and the macroscopic equation of membrane system. In this study, helium and nitrogen are passed through a silica membrane. The permeability is evaluated for various operation conditions. For helium gas, Knudsen diffusion is followed in a low pressure region. The permeability agrees with experimental values. And viscous flow is shown in a high pressure region. In case of nitrogen gas, Knudsen diffusion is a major separation mechanism. The permeability of both gases decreases with temperature.
저자 장욱, 이태용
소속 한국과학기술원 생명화학공학과
키워드 molecular dynamics; membrane; permeation
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