Molecaulr dyanmics simluation of PVT property = PVT 성질의 분자 동력학적 모사

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Molecular dynamics simulation can be used to compute physico-chemical quantities of practical interest. In this study, PVT data were obtained using molecular dynamics simulation. Simulation results were compared with experimental data and those obtained from a few selected equations of state (EOSs) which is generally used. The simulation results were accurate for a wide range of temperatures and pressures as compared with those of EOSs. Most experimental measurements of PVT property are limited to a relatively narrow range of temperature and pressure and the reliability of an equation of state varies according to the form selected and comprehensiveness of experimental database. From these points of view, molecular dynamics simulation is one of the best methods to supplement experimental measurements. The simulation results of several molecules gave good agreement with experimental measurements.
Advisors
Lee, Tai-Yongresearcher이태용researcher
Description
한국과학기술원 : 생명화학공학과,
Publisher
한국과학기술원
Issue Date
2003
Identifier
180326/325007 / 020013532
Language
eng
Description

학위논문(석사) - 한국과학기술원 : 생명화학공학과, 2003.2, [ vi, 54 p. ]

Keywords

PVT property; Molecular dynamics simluation; Equation of state; 상태방정식; PVT 성질; 분자 동력학적 모사

URI
http://hdl.handle.net/10203/29790
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=180326&flag=dissertation
Appears in Collection
CBE-Theses_Master(석사논문)
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