Dipolar sticky hard spheres within the Percus-Yevick approximation plus orientational linearization.
We consider a strongly idealized model for polar fluids, which consists of spherical particles, having, in addition to a hard-core repulsion, a "surface dipolar" interaction, acting only when particles are exactly at contact. A fully analytic solution of the molecular Orstein-Zernike equation is found for this potential, within the Percus-Yevick approximation complemented by a linearization of the angular dependence on molecular orientations (Percus-Yevick closure with orientational linearization). Numerical results are also presented in a detailed analysis about the local orientational structure. From the pair correlation function g(1,2), we first derive the best orientations of a test particle which explores the space around an arbitrary reference molecule. Then some local and global order parameters, related to the polarization induced by the reference particle, are also calculated. The local structure of this model with only short-ranged anisotropic interactions turns out to be, at least within the chosen approximation, qualitatively different from that of hard spheres with fully long-ranged dipolar potentials.
Gazzillo
Domenico
D
Dipartimento di Chimica Fisica, Università di Venezia, S. Marta DD 2137, Venezia I-30123, Italy. gazzillo@unive.it