Fluid-phase diagrams of binary mixtures from constant pressure integral equations
A new algorithm for solving integral equations of the theory of liquids at fixed pressure is introduced. Combining this technique with the Lee's star function approximation for the chemical potentials, we obtain an efficient method to investigate fluid-phase diagrams of binary mixtures. We have...
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| Vydané v: | The Journal of chemical physics Ročník 122; číslo 18; s. 181104 |
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| Hlavní autori: | , , , |
| Médium: | Journal Article |
| Jazyk: | English |
| Vydavateľské údaje: |
United States
08.05.2005
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| ISSN: | 0021-9606 |
| On-line prístup: | Zistit podrobnosti o prístupe |
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| Shrnutí: | A new algorithm for solving integral equations of the theory of liquids at fixed pressure is introduced. Combining this technique with the Lee's star function approximation for the chemical potentials, we obtain an efficient method to investigate fluid-phase diagrams of binary mixtures. We have tested the capabilities of such technique to study symmetric and asymmetric phase diagrams in nonadditive hard spheres and Lennard-Jones mixtures. We find that the integral equation theories, although approximate, can provide a flexible tool to determine the fluid-phase diagrams whose accuracy is critically dependent on the quality of the closure and of the resulting chemical potentials. |
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| Bibliografia: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 0021-9606 |
| DOI: | 10.1063/1.1915347 |