Application of the GV-MSA model to the electrolyte solutions containing mixed salts and mixed solvents

Salimi, Hamid; Taghikhani, Vahid; Ghotbi, Cyrus

doi:10.1016/j.fluid.2004.12.015

Cited by 18 publications

(9 citation statements)

References 43 publications

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“…In the primitive version of the MSA, the logarithm of ionic activity coefficient has two following terms as [13]:…”

Section: Msa-based Modelsmentioning

confidence: 99%

“…While, the hard sphere term (hs) of the ionic activity coefficient equation represents the short range repulsive forces between ions in solution, the electrostatic part (elec) represents the short range as well as long range attractive forces between ions in solution [13]. The electrostatic part can be represented by the following sets of equations:…”

Section: Msa-based Modelsmentioning

confidence: 99%

“…The hard sphere activity coefficient can be obtained from the GV-EOS and has the following form [13]:…”

Section: The Ghotbi-vera (Gv) Equation Of Statementioning

confidence: 99%

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Application of the MSA-based models in correlating the surface tension for single and mixed electrolyte solutions

Sadeghi

Taghikhani

Ghotbi

2009

The Journal of Chemical Thermodynamics

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“…In the primitive version of the MSA, the logarithm of ionic activity coefficient has two following terms as [13]:…”

Section: Msa-based Modelsmentioning

confidence: 99%

Section: Msa-based Modelsmentioning

confidence: 99%

See 1 more Smart Citation

Application of the MSA-based models in correlating the surface tension for single and mixed electrolyte solutions

Sadeghi

Taghikhani

Ghotbi

2009

The Journal of Chemical Thermodynamics

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“…In solvent mixtures, experimental and theoretical research has long ago shown that polarizable solvents and those with strong specific interactions preferentially solvate ions. − As a result of preferential solvation, activity coefficients of salts in a solvent mixture are not simple averages of pertinent single-solvent electrolyte properties. ,,− Authors often interpolate properties from those of single-solvent electrolytes using arbitrary mixing rules or equations with multiple adjustable parameters. ,,− …”

Section: Introductionmentioning

confidence: 99%

110th Anniversary: Theory of Activity Coefficients for Lithium Salts in Aqueous and Nonaqueous Solvents and in Solvent Mixtures

Crothers

Radke

Prausnitz

2019

Ind. Eng. Chem. Res.

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On the basis of work by Bernard and Blum [Bernard, O.; Blum, L. Binding Mean Spherical Approximation for Pairing Ions: An Exponential Approximation and Thermodynamics. J. Chem. Phys. 1996, 104, 4746-4754], Barthel et al. [Barthel, J.; Krienke, H.; Holovko, M.; Kapko, V.; Protsykevich, I. The Application of the Associative Mean Spherical Approximation in the Theory of Nonaqueous Electrolyte Solutions. Condens. Matter Phys.2000, 3, 23], and Simonin et al. [Simonin, J.-P.; Bernard, O.; Blum, L. Real Ionic Solutions in the Mean Spherical Approximation. 3. Osmotic and Activity Coefficients for Associating Electrolytes in the Primitive Model. J. Phys. Chem. B1998, 102, 4411-4417], this work presents and validates a molecularthermodynamic model for lithium salt activity coefficients in aqueous and nonaqueous single-and mixed-solvent systems. The Binding Mean Spherical Approximation gives electrolyte activity due to long-range electrostatic forces, short-range hard-sphere repulsion, and ion-pair formation. The theory shows good agreement with measured salt activities up to 3 molar in aqueous and nonaqueous solvents using a solvent-dependent, concentration-independent, center-to-center distance of closest approach between ions as the single fitting parameter for each electrolyte system. For mixed-solvent electrolytes, the local solvation environment around the ions dictates short-range interactions. To account for preferential ion solvation in a mixed solvent, the center-to-center distance is obtained from Wang and co-workers' Dipolar Self-Consistent-Field Theory [Nakamura, I.; Shi, A.-C.; Wang, Z.-G. Ion Solvation in Liquid Mixtures: Effects of Solvent Reorganization. Phys. Rev. Lett. 2012, 109, 257802]. For a particular salt in a binary solvent mixture at fixed temperature, the model predicts salt activity coefficients using only the fitted single-solvent distances-of-closest approach.

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“…Concerning modeling work, a number of empirical, semi-empirical, and theoretical equations have been developed for estimating mean ionic activity coefficients in aqueous systems (Deyhimi and Salamat-Ahangari, 2008;Moggie and Bianco, 2007;Salimi et al, 2005;Van Damme and Deconinck, 2007). A critical discussion of some of these equations and their application to mixed solvents was presented by Anderko et al (2002).…”

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confidence: 99%

Solution Properties of Inorganic Contamination in Mixed Solvents: Theory, Progress, and Limitations

Srour¹,

McDonald

2011

Critical Reviews in Environmental Science and Technology

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Most of what is known about the environmental fate and transport of contaminants comes from studies of dilute, aqueous solutions. Theoretical and practical aspects of hydrophobic organic contaminants in aqueous mixtures of organic solvents are well developed, but relatively little attention has been paid to those situations where inorganic contaminants such as metals, water, and organic solvents occur simultaneously. The authors discuss changes in solution properties accompanying the addition of organic solvents. They review more than 500 references to available data on ion solvation, solubility, activity, acidity, pairing, and pH in electrolyte and electrolyte-free solvent mixtures and tabulate selected experimental values. Whenever available, equations developed to estimate these properties are given and their applications and limitations described. The implications of the progress in mixed-solvents solution chemistry on contaminant behavior and transport are described. Major limitations to the study of inorganic contamination in mixed solvents include the absence of complete and comprehensive data (e.g., type of ionic species, activity coefficients, solubility constants) that characterize solute and solvent properties in these mixtures and the indefinite number of possible solute and solvent combinations. The generation of models predicting such data from easily measured benchmark solute and solvent properties is a major challenge. The availability of such database and models may open the field for environmental engineers and soil scientists to study the basic chemical processes and mechanisms of metal contamination in complex multicomponent systems.

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Application of the GV-MSA model to the electrolyte solutions containing mixed salts and mixed solvents

Cited by 18 publications

References 43 publications

Application of the MSA-based models in correlating the surface tension for single and mixed electrolyte solutions

Application of the MSA-based models in correlating the surface tension for single and mixed electrolyte solutions

110th Anniversary: Theory of Activity Coefficients for Lithium Salts in Aqueous and Nonaqueous Solvents and in Solvent Mixtures

Solution Properties of Inorganic Contamination in Mixed Solvents: Theory, Progress, and Limitations

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