Theoretical calculation of the temperature coefficient of surface excess entropy of pure liquid metals

The temperature coefficient of surface excess entropy dS(s)/dT of pure liquid metals (Al, Ga and Bi) has been calculated in the framework of Skapski's nearest-neighbor interaction-broken-bond model. It is found that this coefficient varies by 47.2%, 69% and 85% for pure liquids Al, Bi and Ga, respectively, in the temperature range between the melting temperature T(m) and T(m) + 400 K. The value of the coefficient for pure liquid Ga is an order of magnitude larger than that of Al and Bi. The largest increase in dS(S)/dT with temperature occurs in the first 100 K away from T(m), being the largest for liquid Ga which is about 43%. This variation is experimentally inaccessible and therefore lacking in the literature and has never been reported. (C) 2010 Elsevier B.V. All rights reserved.