There are no files associated with this item.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 2200 | - |
dc.citation.number | 20 | - |
dc.citation.startPage | 2189 | - |
dc.citation.title | MOLECULAR PHYSICS | - |
dc.citation.volume | 107 | - |
dc.contributor.author | Saha, Ashim K. | - |
dc.contributor.author | Singh, Satya Pal | - |
dc.contributor.author | Singh, Jayant K. | - |
dc.contributor.author | Kwak, Sang Kyu | - |
dc.date.accessioned | 2023-12-22T08:12:44Z | - |
dc.date.available | 2023-12-22T08:12:44Z | - |
dc.date.created | 2014-10-02 | - |
dc.date.issued | 2009 | - |
dc.description.abstract | Molecular simulation methodologies are employed to study the first-order transition of variable square-well (SW) fluids on a wide range of weak attractive surfaces. Surface phase diagram of SW fluids of attractive well diameter ff = 1.5, 1.75, 2.0 on a smooth, structureless surface modelled by a SW potential is reported via grand-canonical transition-matrix Monte Carlo (GC-TMMC) and histogram reweighting techniques. Fluids with ff = 1.5 and 1.75 show quasi-2D vapour-liquid phase transition; on the other hand, prewetting transition is visible for a SW fluid with larger well-extent ff = 2.0. The prewetting line, its length, and closeness to the bulk saturation curve are found to depend strongly on the nature of the fluid-fluid and fluid-wall interaction potentials. Boundary tension of surface coexistence films is calculated by two methods. First, the finite size scaling approach of Binder is used to evaluate the boundary tension via GC-TMMC. Second, the results of the boundary tension are verified by virtue of its relation to the pressure tensor components, which are calculated using a NVT-Monte Carlo approach. The results from the two methods are in good agreement. Boundary tension is found to increase with the increase in the wall-fluid interaction range for the quasi-2D system; conversely, boundary tension for thin-thick film, at prewetting transition, decreases with the increase in the wall-fluid interaction range. | - |
dc.identifier.bibliographicCitation | MOLECULAR PHYSICS, v.107, no.20, pp.2189 - 2200 | - |
dc.identifier.doi | 10.1080/00268970903222165 | - |
dc.identifier.issn | 0026-8976 | - |
dc.identifier.scopusid | 2-s2.0-70349925447 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/6821 | - |
dc.identifier.url | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=70349925447 | - |
dc.identifier.wosid | 000270251900010 | - |
dc.language | 영어 | - |
dc.publisher | TAYLOR & FRANCIS LTD | - |
dc.title | Quasi-2D and prewetting transitions of square-well fluids on a square-well substrate | - |
dc.type | Article | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | prewetting transition | - |
dc.subject.keywordAuthor | boundary tension | - |
dc.subject.keywordAuthor | Monte Carlo simulation | - |
dc.subject.keywordAuthor | square-well fluid | - |
dc.subject.keywordPlus | 1ST-ORDER WETTING TRANSITIONS | - |
dc.subject.keywordPlus | MONTE-CARLO-SIMULATION | - |
dc.subject.keywordPlus | ALKALI-METAL SURFACES | - |
dc.subject.keywordPlus | LENNARD-JONES FLUID | - |
dc.subject.keywordPlus | PHASE-TRANSITIONS | - |
dc.subject.keywordPlus | CRITICAL-POINT | - |
dc.subject.keywordPlus | MOLECULAR SIMULATION | - |
dc.subject.keywordPlus | SUPERFLUID ONSET | - |
dc.subject.keywordPlus | SOLID CO2 | - |
dc.subject.keywordPlus | INTERFACE | - |
Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr
Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.
ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.