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| Auteurs principaux: | , , |
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| Format: | Preprint |
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2022
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| Accès en ligne: | https://arxiv.org/abs/2211.03961 |
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| _version_ | 1866929366586359808 |
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| author | Tsednee, Banzragch Tsednee, Tsogbayar Khinayat, Tsookhuu |
| author_facet | Tsednee, Banzragch Tsednee, Tsogbayar Khinayat, Tsookhuu |
| contents | The binary additive hard-sphere mixtures have been studied by the Ornstein-Zernike integral equation coupled with the Martynov-Sarkisov (MS) closure approximation. Virial equation of state is computed in the MS approximation. The excess chemical potential for the mixture is evaluated with a closed-form expression based on correlation functions. The excess Helmholtz free energy is obtained using the Euler relation of thermodynamics. Moreover, these thermodynamic quantities are obtained by the Boublík-Mansoori-Carnahan-Starling-Leland (BMCSL) formulas. Our findings for pressure and excess chemical potential for a number of binary sets of the mixtures from the MS approximation show good agreements with those obtained by the BMCSL formulas and available data in literature, having a maximum deviation of $5\%$ for a packing fraction up to 0.5. The maximum deviation of the excess free energy obtained for the mixtures is shown to be $\sim 16\%$ for a packing fraction of 0.5. To our knowledge, this work presents an initial calculation of an excess chemical potential of the system in the MS approximation. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2211_03961 |
| institution | arXiv |
| publishDate | 2022 |
| record_format | arxiv |
| spellingShingle | Equilibrium thermodynamic properties of binary hard-sphere mixtures from integral equation theory Tsednee, Banzragch Tsednee, Tsogbayar Khinayat, Tsookhuu Statistical Mechanics The binary additive hard-sphere mixtures have been studied by the Ornstein-Zernike integral equation coupled with the Martynov-Sarkisov (MS) closure approximation. Virial equation of state is computed in the MS approximation. The excess chemical potential for the mixture is evaluated with a closed-form expression based on correlation functions. The excess Helmholtz free energy is obtained using the Euler relation of thermodynamics. Moreover, these thermodynamic quantities are obtained by the Boublík-Mansoori-Carnahan-Starling-Leland (BMCSL) formulas. Our findings for pressure and excess chemical potential for a number of binary sets of the mixtures from the MS approximation show good agreements with those obtained by the BMCSL formulas and available data in literature, having a maximum deviation of $5\%$ for a packing fraction up to 0.5. The maximum deviation of the excess free energy obtained for the mixtures is shown to be $\sim 16\%$ for a packing fraction of 0.5. To our knowledge, this work presents an initial calculation of an excess chemical potential of the system in the MS approximation. |
| title | Equilibrium thermodynamic properties of binary hard-sphere mixtures from integral equation theory |
| topic | Statistical Mechanics |
| url | https://arxiv.org/abs/2211.03961 |