Investigation of surface tension, viscosity and diffusion coefficients for liquid simple metals

摘要

Surface tension of some liquid simple metals has been investigated employing the hard sphere theories which were derived from the first and second order approximations of the isothermal compressibility. Atomic transport properties such as diffusion and shear viscosity are also studied for the same systems. The premier ingredients involved in the theories are effective HS diameter, the packing fraction associated with it, and the effective pair potential. For effective calculations, these ingredients are evaluated by using a local pseudopotential, variational modified hypernetted chain integral equation theory (VMHNC) and also using the linearized Weeks-Chandler and Andersen thermodynamic perturbation theory. Calculated results, when compared with the available experimental data and other theoretical values, reveal that the first order approximation theory along with VMHNC predicts much better results than those of the other theoretical values for all concerned systems except for Pb and Al. The cause of discrepancy in the results for Al and Pb is also discussed.