Equation of state for solutions of electrolytes in mixed solvents

Raatschen, Willigert; Harvey, Allan H.; Prausnitz, John M.

doi:10.1016/0378-3812(87)90002-1

Cited by 54 publications

(25 citation statements)

References 27 publications

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“…The importance of the relative static permittivity on the compositional derivatives was also noted by other authors. 5,7,18,22,33,34 As the empirical model of the static permittivity does not depend on the concentration of uncharged molecules, only the MSA model provides a small contribution to the compositional derivative of the Helmholtz energy for water, but this contribution is very small compared to the contribution of the ions. If the effect of increasing solvent concentration was included in the model for the static permittivity, both models would yield a larger contribution to the compositional derivative of the Helmholtz energy for water.…”

Section: ■ Discussion and Resultsmentioning

confidence: 99%

Comparison of the Debye–Hückel and the Mean Spherical Approximation Theories for Electrolyte Solutions

Maribo-Mogensen

Kontogeorgis

Thomsen

2012

Ind. Eng. Chem. Res.

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The thermodynamics of electrolyte solutions has been investigated by many scientists throughout the last century. While several theories have been presented, the most popular models for the electrostatic interactions are based on the Debye–Hückel and mean spherical approximation (MSA) theories. In this paper we investigate the differences between the Debye–Hückel and the MSA theories, and comparisons of the numerical results for the Helmholtz energy and its derivatives with respect to temperature, volume and composition are presented. The investigation shows that the nonrestricted primitive MSA theory performs similarly to Debye–Hückel, despite the differences in the derivation. We furthermore show that the static permittivity is a key parameter for both models and that in many cases it completely dominates the results obtained from the two models. Consequently, we conclude that the simpler Debye–Hückel theory may be used in connection with electrolyte equations of state without loss of accuracy.

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Section: ■ Discussion and Resultsmentioning

confidence: 99%

Comparison of the Debye–Hückel and the Mean Spherical Approximation Theories for Electrolyte Solutions

Maribo-Mogensen

Kontogeorgis

Thomsen

2012

Ind. Eng. Chem. Res.

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“…Raatschen et al [9] developed an equation of state to model the phase equilibrium of the system water + methanol + lithium bromide. They applied the hard-sphere equation of Boublik [10] and Mansoori et al [11] in combination with a Lennard-Jones potential to describe nonionic systems.…”

Section: Equations Of State To Describe Phase Equilibrium Of Electrolmentioning

confidence: 99%

An extension of the Peng–Robinson equation of state for the correlation and prediction of high-pressure phase equilibrium in systems containing supercritical carbon dioxide and a salt

Sieder

Maurer

2004

Fluid Phase Equilibria

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“…Efforts along these lines were reported by Raatschen et al ( 1987) and Copeman and Stein ( 1987). Raatschen 's work was concerned with the mixed-solvent problem; while good results were obtained for the system water/methanol/lithium bromide, some of the expressions for the ionic effects were not in a form suitable for extension to systems containing supercritical gases.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of high‐pressure aqueous systems containing gases and salts

Harvey

Prausnitz

1989

AIChE Journal

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This work provides a new method for calculating phase equilibria for systems where conventional activity‐coefficient models are not suitable. A procedure is presented for superimposing ionic effects on a conventional equation of state for nonelectrolytes. A modification of Born's equation is used to describe charging the ions; ion‐ion interactions are described with the Mean Spherical Approximation, coupled with an adjustable salt/solvent parameter that is obtained from osmotic‐coefficient data at room temperature. The equation of state is used to predict gas solubilities in aqueous salt solutions at high pressures. While this method produces qualitative agreement with the experimental solubility data, quantitative agreement requires a salt/ gas parameter obtained from Setchenow‐constant data. When Setchenow constants are used, agreement with experiment is good except at high salt concentrations, where salting‐out is usually underpredicted. Good results are obtained for phase equilibria in a natural‐gas/brine system at high pressures.

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Equation of state for solutions of electrolytes in mixed solvents

Cited by 54 publications

References 27 publications

Comparison of the Debye–Hückel and the Mean Spherical Approximation Theories for Electrolyte Solutions

Comparison of the Debye–Hückel and the Mean Spherical Approximation Theories for Electrolyte Solutions

An extension of the Peng–Robinson equation of state for the correlation and prediction of high-pressure phase equilibrium in systems containing supercritical carbon dioxide and a salt

Thermodynamics of high‐pressure aqueous systems containing gases and salts

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