Structural properties of additive binary hard-sphere mixtures. III. Direct correlation functions
| Autor: | Pieprzyk, Sławomir, Yuste, Santos B., Santos, Andrés, de Haro, Mariano López, Brańka, Arkadiusz C. |
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| Rok vydání: | 2021 |
| Předmět: | |
| Zdroj: | Physical Review E 104, 054142 (2021) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevE.104.054142 |
| Popis: | An analysis of the direct correlation functions $c_{ij} (r)$ of binary additive hard-sphere mixtures of diameters $\sigma_s$ and $\sigma_b$ (where the subscripts $s$ and $b$ refer to the "small" and "big" spheres, respectively), as obtained with the rational-function approximation method and the WM scheme introduced in previous work [S.\ Pieprzyk \emph{et al.}, Phys.\ Rev.\ E {\bf 101}, 012117 (2020)], is performed. The results indicate that the functions $c_{ss}(r<\sigma_s)$ and $c_{bb}(r<\sigma_b)$ in both approaches are monotonic and can be well represented by a low-order polynomial, while the function $c_{sb}(r<\frac{1}{2}(\sigma_b+\sigma_s))$ is not monotonic and exhibits a well defined minimum near $r=\frac{1}{2}(\sigma_b-\sigma_s)$, whose properties are studied in detail. Additionally, we show that the second derivative $c_{sb}''(r)$ presents a jump discontinuity at $r=\frac{1}{2}(\sigma_b-\sigma_s)$ whose magnitude satisfies the same relationship with the contact values of the radial distribution function as in the Percus-Yevick theory. Comment: 11 pages, 8 figures |
| Databáze: | arXiv |
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