DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Jhon, Mu-Shik | - |
dc.contributor.advisor | 전무식 | - |
dc.contributor.author | Yu, Jeong-Yun | - |
dc.contributor.author | 유정윤 | - |
dc.date.accessioned | 2011-12-13T04:58:26Z | - |
dc.date.available | 2011-12-13T04:58:26Z | - |
dc.date.issued | 1990 | - |
dc.identifier.uri | http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=67099&flag=dissertation | - |
dc.identifier.uri | http://hdl.handle.net/10203/32570 | - |
dc.description | 학위논문(석사) - 한국과학기술원 : 화학과, 1990.2, [ iv, 35 p. ] | - |
dc.description.abstract | Molecular Dynamics Simulations have been carried out for liquid-vapor interface of water at T=300K and ρ=1g/㎤. The system studied consists of 222 ST2 particles in a free cluster. Verlet algorithm$^1$, with Shake procedures$^2$ to handle internal constraints, is used to integrate the classical equation of motion. Orientational structuring near the surface is studied through an angle distribution function. The self-diffusion coefficients have been calculated for bulk region and for interface region. The value of bulk water is 2.87㎠/s, that of interface water is 3.11㎠/s. The significantly larger D value in the interface region can be understood qualitatively by the fact that here the water molecules form fewer hydrogen bonds than those in bulk water. | eng |
dc.language | eng | - |
dc.publisher | 한국과학기술원 | - |
dc.title | Interface molecular dynamics simulations of liquid water | - |
dc.title.alternative | 표면에서의 물분자 구조에 대한 이론적 연구 | - |
dc.type | Thesis(Master) | - |
dc.identifier.CNRN | 67099/325007 | - |
dc.description.department | 한국과학기술원 : 화학과, | - |
dc.identifier.uid | 000881289 | - |
dc.contributor.localauthor | Jhon, Mu-Shik | - |
dc.contributor.localauthor | 전무식 | - |
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