Extension of the Wilson model to electrolyte solutions

Zhao, Emily; Yu, Ming; Sauvé, Robert E.; Khoshkbarchi, Mohammad K.

doi:10.1016/s0378-3812(00)00393-9

Cited by 94 publications

(79 citation statements)

References 17 publications

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“…(1), (2) and (4). The binary energy parameters for the amino acid-water pairs (listed in Table 1) and for the electrolyte-water pairs (taken from reference [20]) and the solubility constant of the amino acids listed in Table 2 are directly used to calculate the solubility of amino acids in aqueous electrolyte solutions. The electrolyte-amino acid energy parameters are treated as adjustable parameters.…”

Section: Solubilities Of Amino Acids In the Presence Of Saltsmentioning

confidence: 99%

“…Zhao et al [20] extended the Wilson model [21] to electrolyte solutions. In this model, the excess Gibbs energy of an aqueous electrolyte solution is represented by a sum of the contributions of a long-range and a short-range interaction term.…”

Section: Introductionmentioning

confidence: 99%

“…This model uses a combination of the Flory-Huggins expression for the entropy of mixing molecules of different sizes and the modified Wilson equation for weak local physical interactions between solvents and segments of polymer chains. In another previous work [24], the electrolyte Wilson model [20] was combined with the polymer Wilson model [23] to represent the excess Gibbs energy of aqueous polymer-electrolyte solutions.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic representation of phase equilibrium behavior of aqueous solutions of amino acids by the modified Wilson model

Sadeghi¹

2007

Fluid Phase Equilibria

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Section: Solubilities Of Amino Acids In the Presence Of Saltsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Thermodynamic representation of phase equilibrium behavior of aqueous solutions of amino acids by the modified Wilson model

Sadeghi¹

2007

Fluid Phase Equilibria

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“…Various models have been developed to describe such systems [1][2][3][4][5]. Pitzer [6] developed one of the most promising and frequently used models.…”

Section: Introductionmentioning

confidence: 99%

A New Pitzer Parameterization for the Binary NaOH–H2O and Ternary NaOH–NaCl–H2O and NaOH–LiOH–H2O Systems up to NaOH Solid Salt Saturation, from 273.15 to 523.15 K and at Saturated Vapor Pressure

et al. 2015

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This paper presents a new set of Pitzer ion interaction model parameters for the binary NaOH-H 2 O system for concentrations up to over 30 molÁkg -1 and temperatures ranging from 273.15 to 523.15 K. Assuming that the electrolyte is only partially dissociated, the model requires the adjustment of (i) the three classical binary interaction parameters b (0) , b (1) and C / , (ii) the equilibrium constant of formation of the aqueous complex NaOH 0 (aq), and iii) one binary (k NaOH/NaOH ) and one ternary (f NaOH=Na þ =OH À ) interaction parameter. This approach, which provides much better results than the approach of treating NaOH as a fully dissociated electrolyte, was chosen to extend the description of the system to high temperatures and high concentrations. The temperature functions of the solubility products of anhydrous NaOH(cr) and five hydrated salts, NaOHÁnH 2 O(cr) (where n = 1, 2, 3.11, 3.5, 4a), were determined. In order to evaluate the quality of the new set of Electronic supplementary material The online version of this article (parameters, several tests were run on various properties using various literature data. These include the boiling point elevation in the NaOH-H 2 O system and the phase diagrams of the two ternary systems NaOH-NaCl-H 2 O and NaOH-LiOH-H 2 O. Interaction parameters for the two related binary systems NaCl-H 2 O and LiOH-H 2 O were taken from previous studies. To ensure consistency, four new mixing parameters were revised (f Na þ =Cl À =NaOH and W Cl À =OH À =Na þ for the ternary system NaOH-NaCl-H 2 O and k Li þ =NaOH and W OH À =Na þ =Li þ for the ternary system NaOH-LiOH-H 2 O). Consistent with Pitzer's equations, our new set of parameters can be used to satisfactorily describe the quaternary Na ? -Li ? -Cl --OH --H 2 O system to very high concentrations and temperatures.

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“…For examples of g E model, Chen et al [6] extended the NRTL model to correlate activity coefficients of electrolyte solutions, by using the local composition concept. Following the Chen's work, the extensions of their model [7,8] or other models such as the extended UNI-QUAC model [9] and Wilson model [10] have been applied to correlate activity coefficients of electrolyte in aqueous solutions. However, excess Gibbs free energy models have the great disadvantage that they are not able to predict densities of electrolyte solutions, and also can not consider the pressure dependency of the activity coefficients.…”

Section: Introductionmentioning

confidence: 99%

Modeling of aqueous electrolyte solutions based on perturbed-chain statistical associating fluid theory incorporated with primitive mean spherical approximation

Lee

Kim

2009

Korean J. Chem. Eng.

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In this work an equation of state applicable to the system containing electrolytes has been developed by coupling the perturbed chain statistical associating fluid theory (PC-SAFT) with the primitive mean spherical approximation. The resulting electrolyte equation of state is characterized by 4 ion parameters for each of the cation and anion contained in aqueous solutions, and 4 ion specific parameters for each of six cations (Li + , Na + , K + , Rb + , Mg 2+ and Ca 2+ ) and six anions (Cl − , Br − , I − , HCO 3 − , NO 3 − and SO 4 2− ) were estimated, based upon the individual ion approach, from the fitting of experimental densities and mean ionic activity coefficients of 26 aqueous single-salt solutions at 298.15 K and 1 bar. The present equation of state with the estimated individual ion parameters has been found to satisfactorily describe not only the densities and mean ionic activity coefficients, but also osmotic coefficients and water activities of single-salt aqueous solutions. Furthermore, the present model was extended to two-salt aqueous solutions, and it has been found that thermodynamic properties such as mentioned above, of two-salt solutions, can be well predicted with the present model, without any additional adjustable parameters.

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Extension of the Wilson model to electrolyte solutions

Cited by 94 publications

References 17 publications

Thermodynamic representation of phase equilibrium behavior of aqueous solutions of amino acids by the modified Wilson model

Thermodynamic representation of phase equilibrium behavior of aqueous solutions of amino acids by the modified Wilson model

A New Pitzer Parameterization for the Binary NaOH–H2O and Ternary NaOH–NaCl–H2O and NaOH–LiOH–H2O Systems up to NaOH Solid Salt Saturation, from 273.15 to 523.15 K and at Saturated Vapor Pressure

Modeling of aqueous electrolyte solutions based on perturbed-chain statistical associating fluid theory incorporated with primitive mean spherical approximation

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