Excess Free Energy Approach to the Estimation of Solubility in Mixed Solvent Systems I: Theory

Williams, N A; Amidon, Gordon L.

doi:10.1002/jps.2600730104

Cited by 61 publications

(19 citation statements)

References 5 publications

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“…When selecting a model, factors such as model applicability (liquid-liquid equilibria, solid-liquid equilibria, or vapor-liquid equilibria), treatment of the electrolyte solution chemistry (completely dissociated, undissociated, or speciated), type of ion-interactions (short-range, long-range, electrostatic), and reference state (symmetrical vs. unsymmetrical conventions) need to be taken into consideration. Other mathematical models, often referred to as cosolvency models, are published in the pharmaceutical literature (Acree et al, 1991;Adjei et al, 1980;Barzegar-Jalali and Jouyban-Gharamaleki, 1997;Jouyban-Gharamaleki, 1998;Khossravi, 1992;Ochsner et al, 1985;Williams and Amidon, 1984;Yalkowsky and Roseman, 1981). An evaluation of these models was presented by Jouyban-Gharamaleki et al (1999) and Pinho and Macedo (1996).…”

Section: Solubility and Solubility Productmentioning

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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Section: Solubility and Solubility Productmentioning

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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“…[24] V terms are presented as the molar volume differences between solvent, cosolvent and solute. The solute-solvent interaction terms are estimated from experimental solubility data.…”

Section: Theoretical Basementioning

confidence: 99%

Naproxen solubility in binary and ternary solvents of polyethylene glycols 200, 400 or 600 with ethanol and water at 298.2 K – experimental data report and modelling

Soltanpour

Shekarriz

2015

Physics and Chemistry of Liquids

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The solubilities of naproxen in the binary and ternary mixtures of polyethylene glycols 200, 400 or 600 with ethanol and water (185 data points) at 298.2 K are determined and mathematically represented by cosolvency models. The obtained overall mean relative deviations (OMRDs) for fitting the solubility data of naproxen in binary and ternary mixtures using Williams-Amidon and Jouyban-Acree model are 15.7% and 16.5%, respectively, and the OMRD values for predicting the solubility data of naproxen by the trained versions of Williams-Amison and Jouyban-Acree models are 71.1% and 64.4%, respectively.

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“…In &(,deal) = -Ahf(l -T/T,)/RT -ACp(Tt -T ) / R T + AC,.ln (T,/T)/R (9) where Ahf is the latent heat of fusion, AC, is the difference between the heat capacity of the solid and that of the pure subcooled liquid a t temperature T, T, is the triple point, and T is the temperature of the solution. If the melting point is <1OO"C above the solution temperature, the terms including AC, may be neglected, and if the normal melting point is substituted for the triple point, the commonly used approximation to calculate ideal solubility results:"…”

Section: Theoretical Sectionmentioning

confidence: 99%

Prediction of Solubility in Nonideal Multicomponent Systems Using the UNIFAC Group Contribution Model

Ochsner

Sokoloski

1985

Journal of Pharmaceutical Sciences

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Excess Free Energy Approach to the Estimation of Solubility in Mixed Solvent Systems I: Theory

Cited by 61 publications

References 5 publications

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

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

Naproxen solubility in binary and ternary solvents of polyethylene glycols 200, 400 or 600 with ethanol and water at 298.2 K – experimental data report and modelling

Prediction of Solubility in Nonideal Multicomponent Systems Using the UNIFAC Group Contribution Model

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