Investigation of surface entropy for liquid less simple metals

摘要

We have derived an efficient expression in closed form for the surface entropy of liquid metals from the statistical mechanical theory of zeroth order involving hard sphere model interaction. Using this expression we have investigated the surface entropy for liquid less simple metals namely Zn, Cd, In, Sn, Pb, Sb, Tl and Bi selfconsistently. The effective hard sphere diameters are obtained from the thermodynamic perturbation theory called the LWCA. The prediction of the selfconsistent calculation improves significantly for all concerned systems except for Zn and Cd. The underlying cause of discrepancy for Zn and Cd is also discussed.