Solubility of Anthracene in Multicomponent Solvent Mixtures Containing Propanol, Butanol, and Alkanes

Abstract

Experimental solubilities are reported for anthracene dissolved in ternary solvent mixtures 1-propanol + 2-propanol + cyclohexane and 1-butanol + 2-butanol + cyclohexane, for anthracene dissolved in the heptanary solvent mixture 1-propanol + 2-propanol + 1-butanol + 2-butanol + cyclohexane + heptane + 2,2,4-trimethylpentane, and for anthracene dissolved in binary solvent heptane + 2,2,4-trimethylpentane at 298.15 K. For the two ternary solvent systems anthracene mole fraction solubilities are reported at 19 different ternary compositions spanning the entire mole fraction range. In the case of heptanary solvent system, solubility data was measured at eight solvent compositions. Results of these measurements are used to test the predictive ability of the combined nearly ideal multiple solvent (NIMS)/Redlich-Kister and combined NIMS/BAB equations. Computations showed that both solution models provided reasonably accurate predictions for how the mole fraction solubility varied with solvent compositions. Deviations between predicted and experimental values were on the order of (0.95% for the better of the two predictive equations.

Solubility of Anthracene in Binary Diisopropyl Ether + Alkane Solvent Mixtures at 298.15 K

“…Over the past 20 years, we have reported experimental solubility data for anthracene and pyrene dissolved in numerous binary solvents and have developed a fairly simple predictive method for estimating the solubility of crystalline organic compounds in ternary [1][2][3][4] and higher-order multicomponent solvent mixtures 5 based on the extended form Combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister solution model. Predictions are based on the measured solubility data in all of the contributing sub-binary solvent mixtures.…”

Solubility of Anthracene in Ternary 1,4-Dioxane + Alcohol + Cyclohexane Solvent Mixtures at 298.15 K

“…The predictive accuracy of most solution models does decrease both with increasing solution nonideality and with greater dissimilarities between the solute solubility in the pure solvents. The combined NIMS/Redlich-Kister solution model is no different than other solution models [9][10][11][12] in this regard. Unpublished computations 27 show that the UNI-FAC and Modified UNIFAC (Dortmund) group contribution methods predict anthracene solubilities in 1,4-dioxane, cyclohexane, and the five alcohol cosolvents to within an average absolute error of about 20%.…”

“…The various S i curve-fit parameters can be evaluated using a least-squares analysis. Though originally suggested as an empirical mathematical representation, eq 1 has been derived from the two-body and three-body interaction thermodynamic mixing model proposed by Hwang et al 5,8 and from the nearly ideal binary Solvent (NIBS) model [9][10][11][12] by replacing the solvent unmixing term (i.e., the ∆G BC E term) with a Redlich-Kister mathematical representation. The NIBS model requires knowledge of the excess Gibbs energy, ∆G BC E , of the binary solvent mixture.…”

Solubility of Hydrophobic Organic Pollutants in Binary and Multicomponent Aqueous Solvents

“…The method most often used for the solubility of a solid in ternary and multicomponent mixed solvents is the combined nearly ideal binary solvent/Redlich -Kister equation (33). That equation was applied to the solubility of a solid in ternary nonaqueous mixed solvents and even to the solubility of a solid in a 7-component nonaqueous mixed solvent (34,35). However, we could not find in the literature any example of applications of theoretical methods to the solubility of environmentally important substances in multicomponent aqueous mixed solvents.…”