Coexistence and interfacial properties of a triangle-well mimicking the Lennard-Jones fluid and a comparison with noble gases

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dc.audience researchers es_MX
dc.contributor.author Yuri Reyes, 0000-0003-3945-2111
dc.contributor.author Gerardo Odriozola, 0000-0002-0093-2129
dc.contributor.other Bárcenas, Mariana
dc.contributor.other Romero Martínez, Ascencio
dc.contributor.other Orea, P.
dc.coverage US es_MX
dc.date.accessioned 2018-06-26T05:06:52Z
dc.date.available 2018-06-26T05:06:52Z
dc.date.issued 2015
dc.description Coexistence and interfacial properties of a triangle-well (TW) fluid are obtained with the aim of mimicking the Lennard-Jones (LJ) potential and approach the properties of noble gases. For this purpose, the scope of the TW is varied to match vapor-liquid densities and surface tension. Surface tension and coexistence curves of TW systems with different ranges were calculated with replica exchange Monte Carlo and compared to those data previously reported in the literature for truncated and shifted (STS), truncated (ST), and full Lennard-Jones (full-LJ) potentials. We observed that the scope of the TW potential must be increased to approach the STS, ST, and full-LJ properties. In spite of the simplicity of TW expression, a remarkable agreement is found. Furthermore, the variable scope of the TW allows for a good match of the experimental data of argon and xenon. es_MX
dc.format application/pdf es_MX
dc.identificador.materia 2 es_MX
dc.identifier.other http://dx.doi.org/10.1063/1.4909548
dc.identifier.uri http://hdl.handle.net/20.500.12222/143
dc.language eng es_MX
dc.publisher American Institute of Physics es_MX
dc.rights Attribution-NonCommercial-NoDerivatives 4.0 Internacional *
dc.rights.license info:eu-repo/semantics/restrictedAccess es_MX
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/4.0/ es_MX
dc.source.other The Journal of Chemical Physics (7) vol.142 (2015) es_MX
dc.source.other ISSN: 0021-9606 es_MX
dc.subject BIOLOGÍA Y QUÍMICA es_MX
dc.subject.keywords Fluido de Triángulo-Pozo es_MX
dc.subject.keywords Bennard-Jones es_MX
dc.subject.keywords Gases Nobles es_MX
dc.subject.keywords Tensión Superficial es_MX
dc.subject.keywords Argón es_MX
dc.subject.keywords Xenón es_MX
dc.title Coexistence and interfacial properties of a triangle-well mimicking the Lennard-Jones fluid and a comparison with noble gases es_MX
dc.type article es_MX
dc.type.version info:eu-repo/semantics/publishedVersion es_MX
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