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dc.contributor.authorDas, Subir K.
dc.date.accessioned2017-01-04T09:40:59Z-
dc.date.available2017-01-04T09:40:59Z-
dc.date.issued2015
dc.identifier.citationMolecular Simulationen_US
dc.identifier.citation41en_US
dc.identifier.citation5-Junen_US
dc.identifier.citationDas, S. K., Atomistic simulations of liquid-liquid coexistence in confinement: comparison of thermodynamics and kinetics with bulk. Molecular Simulation 2015, 41 (5-6), 382-401.en_US
dc.identifier.issn0892-7022
dc.identifier.urihttp://hdl.handle.net/10572/2046-
dc.descriptionRestricted accessen_US
dc.description.abstractWe review a few simulation methods and results related to the structure and non-equilibrium dynamics in the coexistence region of immiscible symmetric binary fluids, in bulk as well as under confinement, with special emphasis on the latter. Monte Carlo methods to estimate interfacial tensions for flat and curved interfaces have been discussed. The latter, combined with a thermodynamic integration technique, provides contact angles for coexisting fluids attached to the wall. For such three-phase coexistence, results for the line tension are also presented. For the kinetics of phase separation, various mechanisms and corresponding theoretical expectations have been discussed. A comparative picture between the domain growth in bulk and confinement (including thin-film and semi-infinite geometry) has been presented from molecular dynamics simulations. Applications of finite-size scaling technique have been discussed in both equilibrium and non-equilibrium contexts.en_US
dc.description.uri1029-0435en_US
dc.description.urihttp://dx.doi.org/10.1080/08927022.2014.998214en_US
dc.language.isoEnglishen_US
dc.publisherTaylor & Francis Ltden_US
dc.rights?Taylor & Francis Ltd, 2015en_US
dc.subjectPhysical Chemistryen_US
dc.subjectAtomic, Molecular & Chemical Physicsen_US
dc.subjectnucleationen_US
dc.subjectMonte Carloen_US
dc.subjectwettingen_US
dc.subjectkinetics of phase separationen_US
dc.subjectYoung's equationen_US
dc.subjectline tensionen_US
dc.subjectmolecular dynamicsen_US
dc.subjectinterfacial tensionen_US
dc.subjectcontact angleen_US
dc.subjectfinite-size scalingen_US
dc.subjectsurface-directed spinodal decompositionen_US
dc.subjectDirected Spinodal Decompositionen_US
dc.subjectLennard-Jones Systemen_US
dc.subjectMolecular-Dynamicsen_US
dc.subjectBinary-Mixturesen_US
dc.subjectSurface-Tensionen_US
dc.subjectMonte-Carloen_US
dc.subjectRenormalization-Groupen_US
dc.subjectPhase-Equilibriaen_US
dc.subjectFluid Mixturesen_US
dc.subjectCritical-Pointen_US
dc.titleAtomistic simulations of liquid-liquid coexistence in confinement: comparison of thermodynamics and kinetics with bulken_US
dc.typeArticleen_US
Appears in Collections:Research Articles (Subir Kumar Das)

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