Analytic solution of the multidensity Ornstein-Zernike equation for hard-sphere fluid with tetrahedral quadrupolar-like surface adhesion

TL;DR

This paper derives an analytical solution to the multidensity Ornstein-Zernike equation for anisotropic hard-sphere fluids with tetrahedral quadrupolar surface adhesion, emphasizing the importance of multidensity models for strongly associating fluids.

Contribution

It introduces a multidensity formulation and analytical solution for the Ornstein-Zernike equation with anisotropic surface adhesion, extending previous single-density approaches.

Findings

At low stickiness, multidensity and single-density theories agree.

Increasing stickiness causes divergence between theories.

Multidensity models are crucial for strongly associating anisotropic fluids.

Abstract

We develop a multidensity formulation of the Ornstein-Zernike equation with Percus-Yevick closure for hard spheres with anisotropic surface adhesion of tetrahedral quadrupolar-like symmetry. An analytical solution is obtained using the invariant expansion method combined with Baxter's factorization technique. Structural properties are evaluated using both the multidensity theory and the previously proposed single-density molecular OZ approach. At low stickiness, the two theories yield nearly identical predictions, while increasing stickiness leads to growing discrepancies and eventual loss of convergence of the single-density approach. These results highlight the importance of multidensity descriptions for strongly associating anisotropic fluids.