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Gazzillo D, Giacometti A. Analytic solutions for Baxter's model of sticky hard sphere fluids within closures different from the Percus-Yevick approximation. J Chem Phys. 2004;120(10):4742-54doi: 10.1063/1.1645781.
Gazzillo, D., & Giacometti, A. (2004). Analytic solutions for Baxter's model of sticky hard sphere fluids within closures different from the Percus-Yevick approximation. The Journal of chemical physics, 120(10), 4742-54. https://doi.org/10.1063/1.1645781
Gazzillo, Domenico, and Giacometti, Achille. "Analytic solutions for Baxter's model of sticky hard sphere fluids within closures different from the Percus-Yevick approximation." The Journal of chemical physics vol. 120,10 (2004): 4742-54. doi: https://doi.org/10.1063/1.1645781
Gazzillo D, Giacometti A. Analytic solutions for Baxter's model of sticky hard sphere fluids within closures different from the Percus-Yevick approximation. J Chem Phys. 2004 Mar 08;120(10):4742-54. doi: 10.1063/1.1645781. PMID: 15267334.
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J Chem Phys. 2004 Mar 08;120(10):4742-54. doi: 10.1063/1.1645781.

Analytic solutions for Baxter's model of sticky hard sphere fluids within closures different from the Percus-Yevick approximation.

The Journal of chemical physics

Domenico Gazzillo, Achille Giacometti

Affiliations

  1. Istituto Nazionale per la Fisica della Materia and Dipartimento di Chimica Fisica, Universita di Venezia, S. Marta DD 2137, I-30123 Venezia, Italy.

PMID: 15267334 DOI: 10.1063/1.1645781

Abstract

We discuss structural and thermodynamical properties of Baxter's adhesive hard sphere model within a class of closures which includes the Percus-Yevick (PY) one. The common feature of all these closures is to have a direct correlation function vanishing beyond a certain range, each closure being identified by a different approximation within the original square-well region. This allows a common analytical solution of the Ornstein-Zernike integral equation, with the cavity function playing a privileged role. A careful analytical treatment of the equation of state is reported. Numerical comparison with Monte Carlo simulations shows that the PY approximation lies between simpler closures, which may yield less accurate predictions but are easily extensible to multicomponent fluids, and more sophisticate closures which give more precise predictions but can hardly be extended to mixtures. In regimes typical for colloidal and protein solutions, however, it is found that the perturbative closures, even when limited to first order, produce satisfactory results.

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