Lattice gas 2D/3D equilibria: chemical potentials and adsorption isotherms with correct critical points

A priori information is used to derive the chemical potential as a function of density and temperature for 2D and 3D lattice systems. The functional form of this equation of state is general in terms of lattice type and dimensionality, though it contains critical temperature and critical density as...

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Veröffentlicht in:The Journal of chemical physics 2004-03, Vol.120 (11), p.5208-5216
Hauptverfasser: Aranovich, G L, Erickson, J S, Donohue, M D
Format: Artikel
Sprache:eng
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Zusammenfassung:A priori information is used to derive the chemical potential as a function of density and temperature for 2D and 3D lattice systems. The functional form of this equation of state is general in terms of lattice type and dimensionality, though it contains critical temperature and critical density as parameters which depend on lattice type and dimensionality. The adsorption isotherm is derived from equilibrium between two-dimensional and three-dimensional phases. Theoretical predictions are in excellent agreement with grand canonical Monte Carlo simulations.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1647526