A perturbed Yukawa chain equation of state for liquid metals

The perturbed Yukawa chain equation of state is formulated based on Barker and Henderson's liquid state perturbation theory. The model uses two parameters for a monatomic system, segment size, σ, and segment energy, ε/k. Analytical expressions for Helmholtz energy and compressibility factor of...

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Bibliographic Details
Published in:Journal of molecular liquids 2012-06, Vol.170, p.41-44
Main Authors: Mousazadeh, M.H., Diarmand, H., Hakimelahi, R.
Format: Article
Language:English
Subjects:
Equation of state
Liquid metals
Yukawa potential
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Summary:The perturbed Yukawa chain equation of state is formulated based on Barker and Henderson's liquid state perturbation theory. The model uses two parameters for a monatomic system, segment size, σ, and segment energy, ε/k. Analytical expressions for Helmholtz energy and compressibility factor of perturbed Yukawa chain equation of state were derived using a hard sphere chain reference. The Yukawa potential where λ=1.8 is exploited for its ability to mimic the Lennard Jones potential. In this work, we employed this model to calculate the liquid density of 27 metals. The average absolute deviation in the liquid compared with experimental data is 2.84. ► The perturbed Yukawa chain equation of state is formulated based on Barker and Henderson's liquid state perturbation theory. ► In this work, we employed this model to calculate the liquid density of 27 metals. ► The average absolute deviation in the liquid compared with experimental data is 2.84.
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2012.03.013