Carmen E. Hernández

Solubility of Anthracene in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based Upon Mobile Order Theory

Abstract Experimental solubilities are reported at 25.0°C for anthracene dissolved in twenty-one different organic nonelectrolyte solvents containing cyano-, ester-, ether-, chloro-, fluoro- and amide-functional groups. Results of these measurements, combined with previously published anthracene solubility data, are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 44 solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable (although by no means perfect) estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is circa 31.0%, excluding acetonitrile. In comparison, the average absolute deviation increases significantly to 910% when ideal solution behavior is assumed.

Solubility of Thioxanthen-9-One in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based Upon Mobile Order Theory

Abstract Experimental solubilities are reported at 25.0°C for thioxanthen-9-one dissolved in thirty-five different organic nonelectrolyte solvents containing ester-, ether-, hydroxy-, methyl- and t-butyl-functional groups. Results of these measurements are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 26 solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable (although by no means perfect) estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is circa 45%. In comparison, the average absolute deviation increases significantly to 420% when ideal solution behavior is assumed.

Thermodynamics of mobile order theory: comparison of experimental and predicted anthracene and pyrene solubilities in binary alkane+alcohol solvent mixtures

Abstract Experimental solubilities are reported for pyrene in ten binary alkane+alcohol solvent mixtures containing either 1-butanol or 2-methyl-1-propanol with hexane, heptane, octane, cyclohexane and methylcyclohexane. Results of these measurements, along with published anthracene and pyrene solubility data, are used to test predictive expressions based upon the mobile order theory. For the 59 systems studied, the best predictive equation was found to predict the observed solubility data to within an overall average deviation of about 3% using numerical values of 125 cm 3 mol −1 and 175 cm 3 mol −1 for the anthracene–alcohol and pyrene–alcohol stability constants, respectively. Alcohol self-association constants and binary interaction parameters were obtained by regressing vapor–liquid equilibria (VLE) data for alkane+alcohol mixtures.

Thermodynamics of mobile order theory. Part 4. Comparison of experimental and predicted solubilities for trans-stilbene

Abstract Experimental solubilities are reported for trans-stilbene dissolved in sixteen organic solvents at 25.0°C. Solvents studied contained chloro-, cyano-, hydroxy-, fluoro-, and ether-functional groups. Results of these measurements, combined with previously published solubility data, are used to test the applications and limitations of expressions derived from Mobile Order theory. For the 34 solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable (although by no means perfect) estimates of the saturation mole fraction solubilities. The average absolute deviation between predicted and observed values is circa 20%. The deviation increases significantly to 1,210% when ideal solution behavior is assumed.

Solubility of Anthracene in Binary Alkane + 2-Ethoxyethanol Solvent Mixtures at 298.2 K

Abstract Experimental solubilities are reported for anthracene dissolved in six binary alkane + 2-ethoxyethanol solvent mixtures at 25°C. the alkane cosolvents studied were hexane, heptane, octane, cyclohexane, methylcyclohexane and 2,2,4-trimethylpentane. Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister and Modified Wilson equations. for the six systems studied, the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equation provided the better mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being approximately 0.4%. Slightly larger deviations were noted in the case of the Modified Wilson equation.

SOLUBILITY OF ANTHRACENE IN BINARY ALKANE + 2-METHOXYETHYL ETHER SOLVENT MIXTURES

Experimental solubilities are reported for anthracene dissolved in six binary mixtures containing 2-methoxyethyl ether with n-hexane, n-heptane, n-octane, cyclohexane, methyl-cyclohexane and 2,2,4-trimethylpentane at 298.15 K. Results of these measurements are used to test a mathematical representation based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister model. For the six systems studied, the model was found to provide an accurate mathematical representation of the experimental results, with an overall average absolute deviation between measured and calculated values being on the order of 0.4 per cent or less.

Solubility of Anthracene in Binary Alkane + 3-Methoxy-1-Butanol Solvent Mixtures at 298.2 K

Abstract Experimental solubilities are reported for anthracene dissolved in seven binary alkane+3-methoxy-1-butanol solvent mixtures at 25°C. The alkane cosolvents studied were hexane, heptane, octane, cyclohexane, methylcyclohexane, 2,2,4-trimethylpentane and tert-butylcyclohexane (also called (1,1-dimethylcyclohexane). Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister and Modified Wilson equations. For the seven systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being 0.6% and 0.9% for the Combined NIBS/Redlich-Kister and Modified Wilson equations, respectively.

Solubility of Anthracene in Binary Alkane+2-Isopropoxyetha-Nol Solvent Mixtures at 298.2 K

Abstract Experimental solubilities are reported for anthracene dissolved in seven binary alkane+2-isopropoxyethanol solvent mixtures at 25°C. The alkane ccsolvents studied were hexane, heptane, octane, cyclohexarie, methylcyclohexane, 2,2,4-trimethylpentane and tert-butylcyclohexane (also called (1,1-dimethylethyl)cyclohexane). Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister and Modified Wilson equations. For the seven systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being 0.5% and 0.7% for the Combined NIBS/Redlich-Kister and Modified Wilson equations, respectively.

Solubility of Trans-Stilbene in Binary Alkane + 1-Propanol Solvent Mixtures at 298.2 K

Abstract Experimental solubilities are reported for trans-stilbene dissolved in six binary alkane + 1-propanol solvent mixtures at 25°C. the alkane cosolvents studied were hexane, heptane, octane, cyclohexane, methylcyclohexane and 2,2,4-trimethylpentane. Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister and Modified Wilson equations. for the six system studied, the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equation provided the better mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being approximately 0.4%. Slightly larger deviations were noted in the case of the Modified Wilson equation.

Solubility of Trans-Stilbene in Binary Alkane + 1-Butanol Solvent Mixtures at 298.2 K

Abstract Experimental solubilities are reported for trans-stilbene dissolved in six binary alkane + 1-butanol solvent mixtures at 25°C. The alkane cosoivents studied were hexane, heptane, octane, cyclohexane, methylcyclohexane and 2,2,4-trimethylpentane. Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister and Modified Wilson equations. For the six systems studied, the Combined NIBS/Redlich-Kister equation was found to provide the better mathematical representation of the experimental data, with overall average absolute deviations between measured and calculated values being approximately ±0.6%. Slightly larger deviations were noted in the case of the Modified Wilson equation.