A perturbed Lennard-Jones chain equation of state for liquid metals

• Published in: Journal of physics. Condensed matter Vol. 18; no. 20; pp. 4793 - 4800
• Main Authors: Mousazadeh, M H, Marageh, M Ghanadi
• Format: Journal Article
• Language: English
• Published: Bristol IOP Publishing 24.05.2006; Institute of Physics
• Subjects: Condensed matter: structure, mechanical and thermal properties; Equations of state of specific substances; Equations of state, phase equilibria, and phase transitions; Exact sciences and technology; Physics; Perturbation theory; Gold; Equations of state; Variational methods; Vapor pressure; Temperature effects; Critical points; Liquid metals; Lennard Jones model; Melting points; Density
• ISSN: 0953-8984; 1361-648X
• DOI: 10.1088/0953-8984/18/20/003

The perturbed Lennard-Jones chain (PLJC) equation of state is formulated based on first-order variational perturbation theory. The model uses two parameters for a monatomic system, segment size, D*s, and segment energy, D*e/k. In this work, we employed the PLJC equation to calculate the liquid density of 26 metals, including alkali and alkali earth metals, iron, cobalt, nickel, copper, silver, gold, zinc, cadmium, mercury, aluminium, gallium, indium, thallium, tin, lead, antimony, and bismuth, for which accurate experimental data exist in the literature. The calculations cover a broad range of temperatures ranging from the melting point to close to the critical point and pressures ranging from the vapour-pressure curve up to pressures as high as 2000 bar. The average absolute deviation in the liquid density predicted by the PLJC equation of state in the saturation line compared with experimental data is 1.26%. Also, using the normal melting temperature and liquid density at melting point (Tm, D*rm) as input data for the estimation of the equation of state parameters provides a good correlation of liquid density at saturated and compressed pressures.