Toward a Density Functional Description of Liquid pH(2) (Articolo in rivista)

Type
Label
  • Toward a Density Functional Description of Liquid pH(2) (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp111996u (literal)
Alternative label
  • Navarro, J.; Ancilotto, F.; Barranco, M.; Pi, M. (2011)
    Toward a Density Functional Description of Liquid pH(2)
    in The journal of physical chemistry. A
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Navarro, J.; Ancilotto, F.; Barranco, M.; Pi, M. (literal)
Pagina inizio
  • 6910 (literal)
Pagina fine
  • 6917 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 115 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 8 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 25 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Consejo Superior de Investigaciones Cientificas (CSIC); University of Valencia; University of Padua; CNR IOM Democritos; University of Barcelona; University of Barcelona (literal)
Titolo
  • Toward a Density Functional Description of Liquid pH(2) (literal)
Abstract
  • A finite-temperature density functional approach to describe the properties of parahydrogen in the liquid vapor coexistence region is presented. The first proposed functional is zero-range, where the density-gradient term is adjusted so as to reproduce the surface tension of the liquid vapor interface at low temperature. The second functional is finite-range and, while it is fitted to reproduce bulk pH(2) properties only, it is shown to yield surface properties in good agreement with experiments. These functionals are used to study the surface thickness of the liquid vapor interface, the wetting transition of parahydrogen on a planar Rb model surface, and homogeneous cavitation in bulk liquid pH(2). (literal)
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