Two-Yukawa fluid at a hard wall: Field theory treatment
We apply a field-theoretical approach to study the structure and thermodynamics of a two-Yukawa fluid confined by a hard wall. We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, ana...
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| Veröffentlicht in: | The Journal of chemical physics 2015-05, Vol.142 (19), p.194708-194708 |
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| container_end_page | 194708 |
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| container_issue | 19 |
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| container_title | The Journal of chemical physics |
| container_volume | 142 |
| creator | Kravtsiv, I Patsahan, T Holovko, M di Caprio, D |
| description | We apply a field-theoretical approach to study the structure and thermodynamics of a two-Yukawa fluid confined by a hard wall. We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. The results obtained are compared to computer simulation data. |
| doi_str_mv | 10.1063/1.4921242 |
| format | Article |
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We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. 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We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. 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We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. 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| ispartof | The Journal of chemical physics, 2015-05, Vol.142 (19), p.194708-194708 |
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| subjects | ADSORPTION Approximation APPROXIMATIONS Bulk density Chemical Sciences CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS COMPARATIVE EVALUATIONS Computer simulation COMPUTERIZED SIMULATION Condensed Matter CORRELATION FUNCTIONS DENSITY FIELD EQUATIONS FIELD THEORIES Field theory FLUCTUATIONS FLUIDS FREE ENERGY Mathematical analysis MEAN-FIELD THEORY or physical chemistry Physics Theorems Theoretical and THERMODYNAMICS Variation |
| title | Two-Yukawa fluid at a hard wall: Field theory treatment |
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