Analytic solution of two-density integral equations for sticky Janus dumbbells with arbitrary monomer diameters

作者：Gazzillo Domenico^*; Munao Gianmarco; Prestipino Santi

来源：Journal of Chemical Physics, 2016, 144(23): 234504.

DOI：10.1063/1.4953853

We study a pure fluid of heteronuclear sticky Janus dumbbells, considered to be the result of complete chemical association between unlike species in an initially equimolar mixture of hard spheres (species A) and sticky hard spheres (species B) with different diameters. The B spheres are particles whose attractive surface layer is infinitely thin. Wertheim's two-density integral equations are employed to describe the mixture of AB dumbbells together with unbound A and B monomers. After Baxter factorization, these equations are solved analytically within the associative Percus-Yevick approximation. The limit of complete association is taken at the end. The present paper extends to the more general, heteronuclear case of A and B species with size asymmetry a previous study by Wu and Chiew [J. Chem. Phys. 115, 6641 (2001)], which was restricted to dumbbells with equal monomer diameters. Furthermore, the solution for the Baxter factor correlation functions q(ij)(alpha beta)(r) is determined here in a fully analytic way, since we have been able to find explicit analytic expressions for all the intervening parameters. Published by AIP Publishing.

• 出版日期2016-6-21