Calculation of surface tension of metals using density gradient theory and PC-SAFT equation of state

The Cahn–Hilliard theory was combined with PC-SAFT equation of state (EOS), in order to describe both the phase behaviors and the surface tension of different types of metals (Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, Fe, Zn, Cd, In, Sn, Pb, and Bi). The only two inputs of the theory are the Helmholtz free...

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Bibliographic Details
Published in:Fluid phase equilibria 2011-02, Vol.301 (1), p.13-17
Main Authors: Mousazadeh, M.H., Faramarzi, E.
Format: Article
Language:English
Subjects:
Cadmium
Chemical thermodynamics
Chemistry
Density
Density gradient theory
Equations of state
Exact sciences and technology
Fittings
General and physical chemistry
Helmholtz free-energy
Lead (metal)
Magnesium
Mathematical analysis
Metals
Metals and alloys
PC-SAFT equation of state
Surface tension
Thermodynamic properties
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Summary:The Cahn–Hilliard theory was combined with PC-SAFT equation of state (EOS), in order to describe both the phase behaviors and the surface tension of different types of metals (Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, Fe, Zn, Cd, In, Sn, Pb, and Bi). The only two inputs of the theory are the Helmholtz free-energy density and the influence parameter. The PC-SAFT equation of state was applied to determine Helmholtz free-energy density and bulk properties. The influence parameter is obtained by fitting to the experimental data of surface tension. The results show a useful possibility to calculate surface tensions which are in satisfactory agreement with experimental data.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2010.11.006