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  • 02월 22일 16시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

Sorption and Diffusion of Xylene Isomers in Na-X Zeolite: Molecular Modeling Study

등록일
2008년 2월 14일 10시 23분 20초
접수번호
1252
발표코드
금34K8구 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 16시 : 30분
발표형식
구두발표
발표분야
재료화학
저자 및
공동저자
송미경, 김광연, 노경태1
(사)분자설계연구소 신소재설계팀,
1연세대학교 생명공학과,
The cationic forms of zeolite-X and –Y have been used to separate the C8-aromatics whose characteristics depend on the cationic forms, degree of cation exchange, and the coverage with aromatics. Their uses in catalysis and separation processes, and the needs to understand about those properties have inspired many theoretical studies. In this study, the static and dynamic properties of xylene isomers in Na-X zeolite were examined. The effects of simulation temperature and the sorbate concentration on the the behavior of each isomer in zeolite were investigated. The extensive simulations such as grand canonical monte carlo and molecular dynamics were carried out. All the calculations were carried out by SGI origin300 8-CPU clusters. Acknowledgement This work was supported by the Korea Energy Management Corporation (KEMC) and the Ministry of Commerce, Industry, and Energy (MOCIE).

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