Thermochimica Acta, Vol.518, No.1-2, 9-12, 2011
Straightforward calculation of the WCA entropy and internal energy for liquid metals
The explicit expression for the reference-system entropy within the Weeks-Chandler-Andersen (WCA) approximation is derived and applied to straightforward calculation of the WCA entropy and internal energy of liquid alkali metals. It is shown that the procedure used gives the same results as a numerical differentiation of the Helmholtz free energy but with a smaller computing complexity. (C) 2011 Elsevier B.V. All rights reserved.
Keywords:Fluid;Liquid metal;Thermodynamic perturbation theory;Weeks-Chandler-Andersen method;Helmholtz free energy;Entropy;Internal energy