A comparison of solid—liquid equilibrium with vapor—liquid equilibrium for prediction of activity coefficients in systems containing polynuclear aromatics

Coon, John E.; Auwaerter, John E.; McLaughlin, E.

doi:10.1016/0378-3812(89)80060-3

Cited by 28 publications

(24 citation statements)

References 30 publications

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“…b The ideal solubility contribution, A, may be calculated from eq 2 or 9 using the melting properties reported in ref 37. c The ideal solubility contribution, A, may be calculated from eq 2 or 9 using the melting data of (12) aqueous solubility lowering as the solute gets larger and larger. Although the relations shown by eqs 10 and 12 are not strictly linearily volume dependent, the solubility of nonpolar substances in water or in alcohols decreases regularly with the increasing size of the substance.…”

Section: Resultsmentioning

confidence: 99%

“…Notice that this equation includes an additional component for the effect on solubility of the possible existence of a first-order solid-phase transition that would occur at T trans between the temperatures T and T m . [10][11][12] In the absence of the enthalpy of fusion for the available solute, the crystallinity contribution to solubility is determined from the equation proposed by Yalkowsky 13 for rigid molecules (eq 9), which requires only the melting point in Kelvin of the compound.…”

Section: The Universal Solubility Equationmentioning

confidence: 99%

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The Hydrophobic Effect. 2. Relative Importance of the Hydrophobic Effect on the Solubility of Hydrophobes and Pharmaceuticals in H-Bonded Solvents

Ruelle¹,

Kesselring²

1998

Journal of Pharmaceutical Sciences

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The quantitative development of the nonergodic mobile order thermodynamics involving the new interpretation of the hydrophobic effect leads to a general solubility equation. This equation is applied to predict the aqueous and alcohol solubility of chemicals ranging from nonpolar or slightly polar with no H-bonding capacity to polyfunctional polar compounds including pharmaceuticals. The analysis of the relative importance of the contributions involved in the solubility model [i.e., the fluidization of the solute (for solids), the correction for the mixing entropy, the change of the nonspecific cohesion forces, and the formation of solvent-solvent (hydrophobic effect), solute-solute, and solute-solvent H-bonds] unambiguously demonstrates that the hydrophobic effect is essential for predicting the aqueous or alcohol solubility of any substance in general, and of nonpolar compounds in particular. The difference between the origin of the solubility of hydrocarbons in water and of water in hydrocarbons is furthermore presented. In both cases, the quasilinear solubility dependence on the molar volume of the hydrocarbon is of an entropic nature.

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Section: Resultsmentioning

confidence: 99%

Section: The Universal Solubility Equationmentioning

confidence: 99%

The Hydrophobic Effect. 2. Relative Importance of the Hydrophobic Effect on the Solubility of Hydrophobes and Pharmaceuticals in H-Bonded Solvents

Ruelle¹,

Kesselring²

1998

Journal of Pharmaceutical Sciences

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“…The deviations of the calculated temperatures from the experimental values, δT, are listed in Tables 2 and 3. a Taken from Coon et al (1989) if not specifically noted. b Estimated from the modified Rackett equation (Spencer and Danner, 1972).…”

Section: Empirical Correlationmentioning

confidence: 99%

“…h Gupta et al (1994). i ∆pHi ) 1300 J‚mol -1 and ∆pSi ) 3.85 J‚mol -1 ‚K -1 (Coon et al, 1989). j Mayer et al (1990).…”

Section: Empirical Correlationmentioning

confidence: 99%

“…The new SLE data were also correlated with activity coefficient models to determine the optimized values of the binary interaction parameters, which are needed for predicting the SLE behavior of multicomponent mixtures. The criterion of SLE for a simple eutectic system in the presence of a solid-phase transition (Coon et al, 1989) can be expressed by where R is the gas constant. a i , γ i , T m,i , ∆C p,i , ∆ fus H i , ∆ p H i , and ∆ p S i are the activity, the activity coefficient, the melting temperature, the specific heat difference between the subcooled liquid and solid states, the molar enthalpy of fusion, the molar enthalpy change of the solid-phase transition, and the molar entropy change of the solid-phase transition for compound i, respectively.…”

Section: Solid-liquid Equilibrium Calculationmentioning

confidence: 99%

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Solid−Liquid Equilibria for Binary Mixtures Composed of Acenaphthene, Dibenzofuran, Fluorene, Phenanthrene, and Diphenylmethane

1999

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The liquidus lines were determined with a solid-disappearance method for binary mixtures composed of acenaphthene, dibenzofuran, fluorene, phenanthrene, and diphenylmethane. While the first four substances are model compounds of wash oil, which has widely been used as a solvent to remove aromatics from coal oven gas, diphenylmethane is a high-boiling and low-melting compound that is a potential additive to modify the performance of wash oil. Each of the seven binaries appears to be a simple eutectic system. as evidenced by the experimental results. The Wilson and the NRTL models were employed to correlate the solid-liquid equilibrium data. Both activity coefficient models were found to represent accurately the nonideality of the liquid-phase for the investigated systems.

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Vapor-Liquid Equilibrium of the Mixture C10H12 + C12H8O (LB3932, EVLM 1131)

Wichterle¹,

Linek²,

Wagner³

et al. 2008

Binary Liquid Systems of Nonelectrolytes. Part 2

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A comparison of solid—liquid equilibrium with vapor—liquid equilibrium for prediction of activity coefficients in systems containing polynuclear aromatics

Cited by 28 publications

References 30 publications

The Hydrophobic Effect. 2. Relative Importance of the Hydrophobic Effect on the Solubility of Hydrophobes and Pharmaceuticals in H-Bonded Solvents

The Hydrophobic Effect. 2. Relative Importance of the Hydrophobic Effect on the Solubility of Hydrophobes and Pharmaceuticals in H-Bonded Solvents

Solid−Liquid Equilibria for Binary Mixtures Composed of Acenaphthene, Dibenzofuran, Fluorene, Phenanthrene, and Diphenylmethane

Vapor-Liquid Equilibrium of the Mixture C10H12 + C12H8O (LB3932, EVLM 1131)

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