We consider an anisotropic version of Baxter’s model of “sticky hard spheres,” where a nonuniform adhesion is implemented by adding, to an isotropic surface attraction, an appropriate “dipolar sticky” correction (positive or negative, depending on the mutual orientation of the molecules). The resulting nonuniform adhesion varies continuously, in such a way that in each molecule one hemisphere is “stickier” than the other. We derive a complete analytic solution by extending a formalism [M. S. Wertheim, J. Chem. Phys. 55, 4281 (1971)] devised for dipolar hard spheres. Unlike Wertheim’s solution, which refers to the “mean spherical approximation,” we employ a Percus-Yevick closure with orientational linearization, which is expected to be more reliable. We obtain analytic expressions for the orientation-dependent pair correlation function g(1,2). Only one equation for a parameter K has to be solved numerically. We also provide very accurate expressions which reproduce K as well as some parameters, Λ1 and Λ2, of the required Baxter factor correlation functions with a relative error smaller than 1%. We give a physical interpretation of the effects of the anisotropic adhesion on the g(1,2). The model could be useful for understanding structural ordering in complex fluids within a unified picture.
Fluids of Spherical molecules with dipolarlike nonuniform adhesion: An analytically solvable anisotropic model
GAZZILLO, Domenico;GIACOMETTI, Achille
2008-01-01
Abstract
We consider an anisotropic version of Baxter’s model of “sticky hard spheres,” where a nonuniform adhesion is implemented by adding, to an isotropic surface attraction, an appropriate “dipolar sticky” correction (positive or negative, depending on the mutual orientation of the molecules). The resulting nonuniform adhesion varies continuously, in such a way that in each molecule one hemisphere is “stickier” than the other. We derive a complete analytic solution by extending a formalism [M. S. Wertheim, J. Chem. Phys. 55, 4281 (1971)] devised for dipolar hard spheres. Unlike Wertheim’s solution, which refers to the “mean spherical approximation,” we employ a Percus-Yevick closure with orientational linearization, which is expected to be more reliable. We obtain analytic expressions for the orientation-dependent pair correlation function g(1,2). Only one equation for a parameter K has to be solved numerically. We also provide very accurate expressions which reproduce K as well as some parameters, Λ1 and Λ2, of the required Baxter factor correlation functions with a relative error smaller than 1%. We give a physical interpretation of the effects of the anisotropic adhesion on the g(1,2). The model could be useful for understanding structural ordering in complex fluids within a unified picture.File | Dimensione | Formato | |
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