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곽상규

Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
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dc.citation.endPage 6 -
dc.citation.number 16 -
dc.citation.startPage 1 -
dc.citation.title JOURNAL OF CHEMICAL PHYSICS -
dc.citation.volume 130 -
dc.contributor.author Huang, Huan Cong -
dc.contributor.author Kwak, Sang Kyu -
dc.contributor.author Singh, Jayant K. -
dc.date.accessioned 2023-12-22T08:07:56Z -
dc.date.available 2023-12-22T08:07:56Z -
dc.date.created 2014-10-02 -
dc.date.issued 2009-04 -
dc.description.abstract Equation of state and structure of hard-sphere fluids confined in a cylindrical hard pore were investigated at the vicinity of fluid-solid transition via molecular dynamics simulation. By constructing artificial closed-packed structures in a cylindrical pore, we explicitly capture the fluid-solid phase transition and coexistence for the pore diameters from 2.17σ to 15σ. There exist some midpore sizes, where the phase coexistence might not exist or not clearly be observable. We found that the axial pressure including coexistence follows oscillatory behavior in different pore sizes; while the pressure tends to decrease toward the bulk value with increasing pore size, the dependence of the varying pressure on the pore size is nonmonotonic due to the substantial change of the alignment of the molecules. The freezing and melting densities corresponding to various pore sizes, which are always found to be lower than those of the bulk system, were accurately obtained with respect to the axial pressure. -
dc.identifier.bibliographicCitation JOURNAL OF CHEMICAL PHYSICS, v.130, no.16, pp.1 - 6 -
dc.identifier.doi 10.1063/1.3120486 -
dc.identifier.issn 0021-9606 -
dc.identifier.scopusid 2-s2.0-65149097944 -
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/6843 -
dc.identifier.url http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=65149097944 -
dc.identifier.wosid 000266885200045 -
dc.language 영어 -
dc.publisher AMER INST PHYSICS -
dc.title Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics simulation -
dc.type Article -
dc.description.journalRegisteredClass scopus -
dc.subject.keywordPlus NARROW PORES -
dc.subject.keywordPlus EQUATION -
dc.subject.keywordPlus STATE -
dc.subject.keywordPlus PRESSURE -
dc.subject.keywordPlus ENTROPY -

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