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dc.contributor.authorTasseven, Çetin
dc.contributor.authorEnrique González, Luis
dc.contributor.authorSilbert, Moises
dc.contributor.authorAlcaraz Sendra, Olga
dc.contributor.authorTrullàs Simó, Joaquim
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2014-10-27T18:30:12Z
dc.date.available2014-10-27T18:30:12Z
dc.date.created2001-09
dc.date.issued2001-09
dc.identifier.citationTasseven, Ç. [et al.]. The bridge functions of molten salts. "Journal of chemical physics", Setembre 2001, vol. 115, núm. 10, p. 4676-4680.
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/2117/24492
dc.description.abstractThe bridge functions of molten NaCl and AgI near melting were obtained by using the model potentials of Born–Huggins–Mayer for NaCl and Vashishta–Rahman for AgI. The calculations of the bridge functions involved molecular dynamics simulations, the extension of the procedure originally proposed by Poll et al. [Phys. Rev. A 37, 1672 (1988)] and the numerical solution of the Ornstein–Zernike equations. The calculated bridge functions do not conform with the universality ansatz. They also differ from the bridge functions obtained for model electrolytes. Following the results obtained for electrolytes and those of this work for molten salts, it is conjectured that the universality ansatz for the bridge functions does not apply for systems whose attractive interactions play a decisive role in their structural ordering.
dc.format.extent5 p.
dc.language.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshElectrolytes
dc.subject.lcshFused salts
dc.subject.lcshMolecular dynamics
dc.subject.otherElectrolytes Molten salts Molecular dynamics Numerical solutions
dc.titleThe bridge functions of molten salts
dc.typeArticle
dc.subject.lemacElectròlits
dc.subject.lemacSals foses
dc.subject.lemacdinàmica molecular
dc.contributor.groupUniversitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity
dc.identifier.doi10.1063/1.1392366
dc.rights.accessOpen Access
local.identifier.drac3256635
dc.description.versionPostprint (published version)
local.citation.authorTasseven, Ç.; Enrique González, L.; Silbert, M.; Alcaraz, O.; Trullas, J.
local.citation.publicationNameJournal of chemical physics
local.citation.volume115
local.citation.number10
local.citation.startingPage4676
local.citation.endingPage4680


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