2006/05/05 by M. H. Ghatee, Mohammad Hadi Ghatee, Ghatee, M. H. +3
Chemistry · Engineering · Physics and Astronomy · #Chemical Thermodynamics and Molecular Structure #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Statistical Mechanics (cond-mat.stat-mech) #Thermodynamic and Structural Properties of Metals and Alloys #cond-mat.mtrl-sci #cond-mat.stat-mech
paper · pdf · doi:10.48550/arxiv.cond-mat/0605127
18 pages, 7 Figure, 1 Table, 1 Appendix. Accepted for publication in Fluid Phase Equilibria (2006)
arxiv created 2006/05/05 · openalex publication_date 2006/05/05 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
A semi-empirical equation of state is presented for the liquid rubidium metal. The Lennard-Jones (8.5-4) potential model, which originally has been derived for liquid cesium metal, is found to be suitable for modeling of liquid rubidium metal as well. By applying the experimental PVT data of compressed liquid metal in the range 500 K to 1600 K, the slope B, and intercept C, of the linear isotherms are determined and accordingly parameters of the potential function are calculated. The contribution of non-spherical part of the interaction potential to the second virial coefficient B2ns, is calculated by using the Boltzman factor that involves the proposed model potential. The multipole moments, standing as approximation of the non-spherical contribution by multipole expansion, are calculated by the Gaussian 98W program at the B3LYP level of theory. It can be concluded that the slope of the isotherm conforms to B2ns quite well, though some deviations at low T's exist.