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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 8 | - |
dc.citation.number | 4 | - |
dc.citation.startPage | 1 | - |
dc.citation.title | JOURNAL OF CHEMICAL PHYSICS | - |
dc.citation.volume | 128 | - |
dc.contributor.author | Singh, Jayant K. | - |
dc.contributor.author | Sarma, Gautam | - |
dc.contributor.author | Kwak, Sang Kyu | - |
dc.date.accessioned | 2023-12-22T09:06:29Z | - |
dc.date.available | 2023-12-22T09:06:29Z | - |
dc.date.created | 2014-10-02 | - |
dc.date.issued | 2008-01 | - |
dc.description.abstract | Prewetting transition is studied for the square-well fluid of attractive-well diameter λff ff =1.5 in the presence of a homogeneous surface modeled by the square-well potential of attractive well from 0.8 ff to 1.8 ff. We investigate surface phase coexistence of thin-thick film transition using grand-canonical transition matrix Monte Carlo (GC-TMMC) and histogram reweighting techniques. Molecular dynamics (MD) and GC-TMMC are utilized to predict the properties of the fluid for various surface fluid affinities. Occurrences of prewetting transition with the variation of surface affinity are observed for a domain of reduced temperature from T* =0.62 to 0.75. We have used MD and GC-TMMC+finite size scaling (FSS) simulations to calculate the boundary tension as a function of temperature as well as surface affinity. Boundary tensions via MD and GC-TMMC+FSS methods are in good agreement. The boundary tension increases with the decrease of wall-fluid affinity. Prewetting critical properties are calculated using rectilinear diameter approach and scaling analysis. We found that critical temperature and density increase with the decrease of wall-fluid affinity. | - |
dc.identifier.bibliographicCitation | JOURNAL OF CHEMICAL PHYSICS, v.128, no.4, pp.1 - 8 | - |
dc.identifier.doi | 10.1063/1.2824503 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.scopusid | 2-s2.0-38849139141 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/6856 | - |
dc.identifier.url | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=38849139141 | - |
dc.identifier.wosid | 000252821200063 | - |
dc.language | 영어 | - |
dc.publisher | AMER INST PHYSICS | - |
dc.title | Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surface | - |
dc.type | Article | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | MONTE-CARLO SIMULATIONS | - |
dc.subject.keywordPlus | MOLECULAR-DYNAMICS | - |
dc.subject.keywordPlus | WETTING TRANSITIONS | - |
dc.subject.keywordPlus | CRITICAL-BEHAVIOR | - |
dc.subject.keywordPlus | CRITICAL-POINT | - |
dc.subject.keywordPlus | INTERFACE | - |
dc.subject.keywordPlus | SYSTEMS | - |
dc.subject.keywordPlus | ARGON | - |
dc.subject.keywordPlus | GAS | - |
dc.subject.keywordPlus | EQUILIBRIUM | - |
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