The Semi-Ideal Solution Theory for Mixed Ionic Solutions at Solid−Liquid−Vapor Equilibrium

Hu, Yu‐Feng; Fan, Shuanshi; Liang, Deqing

doi:10.1021/jp0542672

Cited by 31 publications

(71 citation statements)

References 41 publications

(78 reference statements)

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“…The analogy with the present model, especially when expressed in terms of adsorption equilibrium constants, , is clear. The ZSR relationship is only one of a number mixing rules based upon semi-ideal solution theory and has been made more flexible by the addition of solute–solute interaction terms and by corrections for mixtures containing solutes of different charge types . Here, we have derived ZSR, for the first time, using statistical mechanics.…”

Section: Practical Equationsmentioning

confidence: 99%

Statistical Mechanics of Multilayer Sorption: 2. Systems Containing Multiple Solutes

Dutcher

Wexler

et al. 2012

J. Phys. Chem. C

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Using statistical mechanics, the extension of an adsorption isotherm to include an arbitrary number of energetically unique adsorbed monolayers was established previously by Dutcher et al. (J. Phys. Chem. C 2011, 115, 16474–16487). The main purpose of that work, although not its only application, was to represent the thermodynamic properties of solutions over very wide ranges of concentration. Here, the model is developed further to obtain expressions for the Gibbs energy, solvent and solute activities, and solute concentrations for mixtures containing arbitrary numbers of solutes. A remarkable result of this study is a novel statistical mechanical derivation of the Zdanovskii–Stokes–Robinson (ZSR) mixing rule, found in the limit of zero solute–solute interactions. The more general mixing rule derived here includes a modification of one of the energy parameters or a number of adsorption sites to represent the effects of solute–solute interactions on solution properties. The effects of this ternary solute–solute mixing term on the relationship between solvent activity and solute concentration are examined.

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Section: Practical Equationsmentioning

confidence: 99%

Statistical Mechanics of Multilayer Sorption: 2. Systems Containing Multiple Solutes

Dutcher

Wexler

et al. 2012

J. Phys. Chem. C

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“…Many simple equations have been established for thermodynamic properties. For example, several simple equations have been developed for prediction of density of mixed electrolyte solutions, such as the equation of Patwardhan and Kumar (Patwardhan and Kumar, 1986a;1986b), the rule of Young and Smith (Young and Smith, 1954), and the semi-ideal solution theory (Hu, 2003;Hu et al, 2006a). The equations of Patwardhan and Kumar and the semi-ideal solution theory have both been used together with Eyring's absolute rate theory to establish the simple equations for prediction of viscosity of mixed electrolyte solutions (Hu, 2004).…”

Section: Introductionmentioning

confidence: 99%

Prediction of density and viscosity of ternary systems [C2q]Br+[C4q]Br+H2O, [C2q]Br+[C6q]Br +H2O, and [C4q]Br+[C6q]Br+H2O at different temperatures using their binary subsystems data

Peng

Chu

et al. 2012

Pet. Sci.

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The simple equations for prediction of the density and viscosity of mixed electrolyte solutions were extended to the related properties of mixed ionic liquid solutions. The density and viscosity were measured for ternary solutions [C 2 q]Br(N-ethylquinolinium bromide)+[C 4 q]Br (N-butylquinolinium bromide)+H 2 O, [C 2 q]Br+[C 6 q]Br(N-hexylquinolinium bromide)+H 2 O, and [C 4 q]Br+[C 6 q]Br+H 2 O and their binary subsystems [C 2 q]Br+H 2 O, [C 4 q]Br+H 2 O, and [C 6 q]Br+H 2 O at 15, 20 and 25 °C, respectively. The results were used to test the predictability of the extended equations. The comparison results show that these simple equations can be used to predict the density and viscosity of the mixed ionic liquid solutions from the properties of their binary subsystems of equal ionic strength.

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“…The water activity of the binary solution (salt-H 2 O) with the molality of the salt being 1 mol kg À1 at 298.15 K is 0.9682, 0.9669, 0.9640, 0.9572, 0.9419, and 0.9268 for KCl, NaCl, LiCl, ZnCl 2 , MgCl 2 , and FeCl 3 , respectively. 24 This indicates that the ability of these salts to decrease the water activity of the reaction solution (formaldehyde-H 2 SO 4 -salt) increases in the order KCl < NaCl < LiCl < ZnCl 2 < MgCl 2 < FeCl 3 , 25 which is exactly the order for the value of (k 1,salt /k 1 )/(k 2,salt /k 2 ) (¼ 1.04, 1.05, 1.13, 1.16, 1.19, 1.22 from le to right, see Table 1) and the order for the effect of these salts on the yield of trioxane in the reaction solution (Fig. 4).…”

Section: Discussionmentioning

confidence: 99%

The salt effect on the yields of trioxane in reaction solution and in distillate

Liu

Zhang

et al. 2015

RSC Adv.

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Batch reaction experiments were performed to investigate the salt effect on the yield of trioxane in the reaction solution. The salts considered include NaHSO 4 , Na 2 SO 4 , NaH 2 PO 4 , Na 2 HPO 4 , KCl, NaCl, LiCl, ZnCl 2 , MgCl 2 , and FeCl 3 . The effects of the anionic structure and the cation charge density on the yield of trioxane in the reaction solution were elucidated and the mechanisms that govern such effects were established. It is shown that the first four salts exerted a negative effect on the yield of trioxane in the reaction solution and such an effect increased progressively from left to right. This trend is due to the formation of NaHSO 4 , H 3 PO 4 , or (H 3 PO 4 and NaH 2 PO 4 ), which decreased the concentration of H + in the solution. The latter six salts showed a positive effect on the yield of trioxane in the reaction solution. The salt effect paralleled the ability of the salt to decrease the water activity of the reaction solution and followed the order KCl < NaCl < LiCl < ZnCl 2 < MgCl 2 < FeCl 3 . Continuous production experiments were performed to investigate the salt effect on the concentration of trioxane in the distillate. The salts considered were KCl, NaCl, LiCl, ZnCl 2 , MgCl 2 , and FeCl 3 , and the salt effect increased progressively from left to right. Such an effect was shown to be determined by the ability of the salt to increase the yield of trioxane in the reaction solution and to increase the relative volatilities of trioxane and water and of trioxane and oligomers.

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The Semi-Ideal Solution Theory for Mixed Ionic Solutions at Solid−Liquid−Vapor Equilibrium

Cited by 31 publications

References 41 publications

Statistical Mechanics of Multilayer Sorption: 2. Systems Containing Multiple Solutes

Statistical Mechanics of Multilayer Sorption: 2. Systems Containing Multiple Solutes

Prediction of density and viscosity of ternary systems [C2q]Br+[C4q]Br+H2O, [C2q]Br+[C6q]Br +H2O, and [C4q]Br+[C6q]Br+H2O at different temperatures using their binary subsystems data

The salt effect on the yields of trioxane in reaction solution and in distillate

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