Mx. Guo et Bcy. Lu, LONG-RANGE CORRECTIONS TO THERMODYNAMIC PROPERTIES OF INHOMOGENEOUS SYSTEMS WITH PLANAR INTERFACES, The Journal of chemical physics, 106(9), 1997, pp. 3688-3695
Expressions for the long range corrections to configurational energy,
normal pressure, surface tension, and chemical potential of an inhomog
eneous system with two planar interfaces are developed. Applying the E
uler forward difference scheme to correlate the density at any height
to that of a central spatial element separates the corrections into tw
o parts: one relates directly to the central local density, and anothe
r is due to the density differences between the central local value an
d those around the central spatial element. An analytical expression i
s obtained for the first part when the Lennard-Jones potential functio
n is adopted in the evaluation. Variations of these properties along t
he normal direction are illustrated in terms of the equilibrium densit
y profiles obtained from Monte Carlo simulations performed at T=0.90
and T=1.15. (C) 1997 American Institute of Physics.