Journal of Chemical Physics, Vol.120, No.23, 11100-11106, 2004
Excess entropy scaling for the diffusion coefficient in expanded liquid metals
Molecular-dynamics simulation is used to compute the pair correlation function and the velocity autocorrelation function of Cs and Rb along the liquid-vapor coexistence curve, from which the excess entropy S-ex and the diffusion coefficient D are deduced. The numerical results of both physical properties are correlated and a scaling law between the excess entropy and the reduced diffusion coefficient D-*(=D/D-0) is investigated for different expressions of the reduction parameter D-0. The choice of thermodynamic states along the liquid-vapor coexistence curve gives us the possibility to extend the investigation of the relation between the reduced diffusion coefficient and the excess entropy over a wide area and to test the adequacy of the scaling law confidently. (C) 2004 American Institute of Physics.