Vapor-liquid equilibrium and equation of state of two-dimensional fluids from a discrete perturbation theory
| Autor: | Trejos, V. M., Santos, A., Gámez, F. |
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| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | J. Chem. Phys. 148, 194505 (2018) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1063/1.5029375 |
| Popis: | The interest in the description of the properties of fluids of restricted dimensionality is growing for theoretical and practical reasons. In this work, we have firstly developed an analytical expression for the Helmholtz free energy of the two-dimensional square-well fluid in the Barker--Henderson framework. This equation of state is based on an approximate analytical radial distribution function for $d$-dimensional hard-sphere fluids ($1\leq d\leq 3$) and is validated against existing and new simulation results. The so-obtained equation of state is implemented in a discrete perturbation theory able to account for general potential shapes. The prototypical Lennard-Jones and Yukawa fluids are tested in its two-dimensional version against available and new simulation data with semi-quantitative agreement. Comment: 9 pages, 6 figures; v2: new references added |
| Databáze: | arXiv |
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