Density dependent equations of state for metal, nonmetal, and transition states for compressed mercury fluid

Details Density dependent equations of state for metal, nonmetal, and transition states for compressed mercury fluid Density dependent equations of state for metal, nonmetal, and transition states for compressed mercury fluid

2006-05-10

arxiv.org/abs/cond-mat/0605270v1

J. Phys. Chemistry, (2004)

Physics

Condensed Matter

Statistical Mechanics

20 pages, 8 Figures

Scientific paper

Analytical equations of state are presented for fluid mercury in metal, nonmetal, and in metal-nonmetal transition states. Equations of state for metal and nonmetal states are simple in form but the complexities of transition state leads to a complex fourth-order equation. The interatomic potential function used to describe the metal state have a hard repulsive wall, and that of nonmetal state is the same as potential function of non-polar fluid with induced dipole intermolecular interaction. Metal-nonmetal transition occurs in the liquid density range 11-8 g/cm3, and a density dependent interaction potential which gradually changes from a pure metal interaction to a nonmetal interaction, on going from metal state to nonmetal state in the transition region, is used. Well-depth and the position of potential minimum are presented as temperature dependent quantities; their calculated values for the metal state are typically within 5.0% and 0.33% of the experimental value, respectively. The calculated well-depth for nonmetal state is smaller than the experimental value indicating the effect of high pressure PVT data used, which pushes a pair of mercury atom further together into the repulsive side. In the transition region, calculated well-depths are 2-3 order of magnitudes larger than for the metal state, and contain a sharp rising edge and a steep falling having a singularity characteristic of phase transition.

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