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• W2079081556 abstract "A statistical associating fluid theory to model electrolyte fluids that explicitly accounts for solvent molecules by modeling water as a dipolar square-well associating fluid is presented. Specifically the statistical associating fluid theory for potentials of variable range (SAFT-VR) is combined with integral equation theory and the generalized mean spherical approximation using the nonprimitive model to describe the long-range ion-ion, ion-dipole, and dipole-dipole interactions. Isothermal-isobaric ensemble Monte Carlo simulations have been performed in order to test the new theoretical approach. In particular, simulations are performed for different ion concentrations and different ratios of the cation, anion, and solvent segment diameters. Predictions for the thermodynamic properties from the new equation of state are compared with the computer simulation data. Additionally, results from a combination of the SAFT-VR approach with Debye-Huckel theory and the primitive model are also presented and compared to those obtained with the nonprimitive model to illustrate the advantages of the new statistical associating fluid theory for potentials of variable range plus dipole and electrolytes (SAFT-VR+DE) approach. The results show that the proposed equation of state provides a good description of the PVT properties of electrolyte fluids with different sizes of ions and solvent." @default.
• W2079081556 created "2016-06-24" @default.
• W2079081556 creator A5002625566 @default.
• W2079081556 creator A5049224608 @default.
• W2079081556 creator A5072586806 @default.
• W2079081556 date "2007-06-22" @default.
• W2079081556 modified "2023-09-23" @default.
• W2079081556 title "Development of an equation of state for electrolyte solutions by combining the statistical associating fluid theory and the mean spherical approximation for the nonprimitive model" @default.
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• W2079081556 doi "https://doi.org/10.1063/1.2733673" @default.
• W2079081556 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17614560" @default.
• W2079081556 hasPublicationYear "2007" @default.
• W2079081556 type Work @default.
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• W2079081556 citedByCount "35" @default.

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