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Lattice-gas model of a charge regulated planar surface.
Gomez, Daniel Alejandro; Frydel, Derek; Levin, Yan.
Afiliação
  • Gomez DA; Department of Chemistry, Federico Santa Maria Technical University, Campus San Joaquin, Santiago, Chile.
  • Frydel D; Department of Chemistry, Federico Santa Maria Technical University, Campus San Joaquin, Santiago, Chile.
  • Levin Y; Institute of Physics, The Federal University of Rio Grande do Sul, Porto Alegre 91501-970, Brazil.
J Chem Phys ; 154(7): 074706, 2021 Feb 21.
Article em En | MEDLINE | ID: mdl-33607887
In this work, we consider a lattice-gas model of charge regulation with electrostatic interactions within the Debye-Hückel level of approximation. In addition to long-range electrostatic interactions, the model incorporates the nearest-neighbor interactions for representing non-electrostatic forces between adsorbed ions. The Frumkin-Fowler-Guggenheim isotherm obtained from the mean-field analysis accurately reproduces the simulation data points.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article