Artículos de revistas
Virial series for inhomogeneous fluids applied to the Lennard-Jones wall-fluid surface tension at planar and curved walls
Fecha
2016-05Registro en:
Urrutia, Ignacio; Paganini, Iván Eduardo; Virial series for inhomogeneous fluids applied to the Lennard-Jones wall-fluid surface tension at planar and curved walls; American Institute of Physics; Journal of Chemical Physics; 144; 17; 5-2016; 1-13; 174102
0021-9606
CONICET Digital
CONICET
Autor
Urrutia, Ignacio
Paganini, Iván Eduardo
Resumen
We formulate a straightforward scheme of statistical mechanics for inhomogeneous systems that includes the virial series in powers of the activity for the grand free energy and density distributions. There, cluster integrals formulated for inhomogeneous systems play a main role. We center on second order terms that were analyzed in the case of hard-wall confinement, focusing in planar, spherical, and cylindrical walls. Further analysis was devoted to the Lennard-Jones system and its generalization, the 2k-k potential. For these interaction potentials, the second cluster integral was evaluated analytically. We obtained the fluid-substrate surface tension at second order for the planar, spherical, and cylindrical confinement. Spherical and cylindrical cases were analyzed using a series expansion in the radius including higher order terms. We detected a lnR/R2 dependence of the surface tension for the standard Lennard-Jones system confined by spherical and cylindrical walls, no matter if particles are inside or outside of the hard walls. The analysis was extended to bending and Gaussian curvatures, where exact expressions were also obtained.