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ABSTRACT
A perturbed hard-trimer (PHT) equation of state (EOS) has been employed to model volumetric properties of molten metals and their alloys considering a trimer expression obtained from the statistical associating fluid theory. The van der Waals dispersion forces were applied as perturbation term. Two parameters appeared in the PHT EOS, reflecting the dispersive energy among trimers, ε and the hard-core diameter σ were determined based on the molecular scaling parameters. The performance of the proposed PHT EOS has been evaluated by predicting the saturated and isobaric densities of 16 molten metals including alkali metals, alkali earth and refractory metals over the temperature range within 234–7400 K and pressures up to 436 MPa. From 677 data points examined, the average absolute deviation (AAD) of the predicted densities from the experimental ones was found to be 1.60%. Furthermore, the estimated uncertainties of predicted densities of alloys were ±3.00%.
KEYWORDS:
Acknowledgements
We are grateful to the research committee of Shiraz University of Technology for supporting this project.
Disclosure statement
No potential conflict of interest was reported by the authors.
Nomenclature
| b(T) | = | van der Waals covolume, m3 |
| P | = | pressure, Pa |
| R | = | gas constant, J/mol K |
| T | = | absolute temperature, K |
| kB | = | Boltzmann’s constant, J/K |
| Mw | = | molecular weight |
| a(T) | = | strengths of attractive forces, J m−3 |
| Fa and Fb | = | universal functions |
Greek letters
| ε | = | non-bonded interaction energy parameter, J |
| σ | = | hard-core diameter, nm |
| η | = | packing fraction |
| ρ | = | molar density, mol/m3 |
Superscript
| Exp Experimental | = | |
| Calc calculated | = |