Solubility of Anthracene in Binary Carbon Tetrachloride + Alkane Solvent Mixtures

Abstract

Experimental solubilities are reported for anthracene in binary solvent mixtures containing carbon tetrachloride with n-hexane, n-heptane, n-octane, cyclohexane, methylcyclohexane and isooctane at 25°C. Results of these measurements, combined with the excess Gibbs free energies of the binary solvents, are used to test predictive expressions derived from the nearly ideal binary solvent (NIBS) model. Expressions based on a volume fraction average of solute properties in the two pure solvents predict anthracene solubilities to within a maximum deviation of 4.5% and an overall average deviation of 1.8%.     

Measurement and Correlation Solubility of Sodium Succinate in Binary Mixed Solvents of Water + (Methanol or Ethanol) Mixtures

The solubility of sodium succinate in binary solvent mixtures was measured by an analytical stirred-flask method in the temperature range 278.15–318.15 K at atmospheric pressure. It was found that the solubility of sodium succinate in the system increased with increasing temperature and decreased with the increasing mass fractions of methanol or ethanol. The modified Apelblat equation, the Buchwski–Ksiazaczak λh equation and the combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R–K) equation were proposed for correlating the experimental data. The modified Apelblat equation was found to regress the solubility data much better than the Buchwski–Ksiazaczak equation and the CNIBS/R–K equation in a binary solvent system. The dissolution enthalpy and dissolution entropy of sodium succinate were calculated from the solubility data, using the Van’t Hoff equation. The experiment results and correlation models could be used as essential data in the purification of sodium succinate.     

Determination and Correlation of the Solubility of Acetylpyrazine in Pure Solvents and Binary Solvent Mixtures

The solubilities of acetylpyrazine in seven pure solvents and one binary solvent mixture were determined by a dynamic analytic method at temperatures ranging from 268.15 to 308.15 K under atmospheric pressure. For pure solvents, the solubility of acetylpyrazine increases with increasing temperature and solvent polarity. For the binary solvent mixture of ethyl acetate and isopropanol, the solubility increases with increasing temperature and mole fraction of ethyl acetate. The solubility data were correlated with some thermodynamic models, including the modified Apelblat model, λh model, CNIBS/R-K model, and NRTL model. In addition, the relationship between solubility and solvent polarity was investigated by using the Arrhenius equation. All the models or equations gave satisfactory correlation results. The results showed that the solubility of acetylpyrazine generally rises with the increase of solvent polarity at the same temperature. Moreover, the dissolution thermodynamic properties of acetylpyrazine in different solvents were calculated and are discussed based on the NRTL model.     

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.     

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 Alcohol + 1-Propanol Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for trans-stilbene dissolved in six binary alcohol + 1-propanol solvent mixtures at 25°C. The alcohol cosolvents studied were 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol, 1-pentanol and 3-methyl-1-butanol. 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 ±0.4%. Slightly larger deviations were noted in the case of the Modified Wilson equation.     

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.     

Meloxicam Solubility in Ethanol+Water Mixtures According to the Extended Hildebrand Solubility Approach

In this work the extended Hildebrand solubility approach (EHSA) was applied to evaluate the solubility of the analgesic drug meloxicam in ethanol+water mixtures at 298.15 K. An acceptable correlative capacity of EHSA was found using a regular polynomial model in fifth order (overall deviation 0.52 %), where the W interaction parameter is related to the solubility parameter of the co-solvent mixtures. Nevertheless, the deviations obtained in the estimated solubility with respect to experimental solubility were similar to those obtained directly by means of an empirical regression of the logarithm of the experimental solubility as a function of the same polarity index (near to 0.51 %).     

Solubility of Anthracene in Binary Alcohol + 1-chlorobutane Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for anthracene dissolved in six binary alcohol + 1-chlorobutane solvent mixtures at 25°C. The alcohol cosolvents studied were 1-propanol, 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol and 3-methyl-1-butanol. Results of these measurements are used to test a mathematical representation based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equation. For the six systems studied, the Combined NIBS/Redlich-Kister equation was found to mathematically describe the experimental data, with overall average absolute deviations between measured and calculated values being approximately\pm 0.4%.     

Solubility of trans-Stilbene in Binary Alkane + 2-Propanol Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for trans-stilbene dissolved in six binary alkane + 2-propanol solvent mixtures at 25[ddot]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, both equations provided an accurate mathematical representation of the experimental data, with overall average absolute deviations between measured and calculated values being approximately ± 0.5%.     

Solubility of Anthracene in Binary Alcohol + Butyl Acetate Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for anthracene dissolved in six binary alcohol + butyl acetate solvent mixtures at 25° C. The alcohol cosolvents studied were 1-propanol, 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol and 3-methyl-1-butanol. Results of these measurements are used to test a mathematical representation based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equation. For the six systems studied, the Combined NIBS/Redlich-Kister equation was found to mathematically describe the experimental data, with overall average absolute deviations between measured and calculated values being approximately\pm 0.6%.     

Solubility in Binary Solvent Systems: Comparison of Predictive Equations Derived from the NIBS Model

Abstract

Experimental solubilities are reported for pyrene in binary solvent mixtures containing benzene with n-hexane, cyclohexane, n-heptane, n-octane, cyclooctane and isooctane at 26°C. Results of these measurements, combined with published pyrene and biphenyl solubilities, are used to test predictive expressions derived from the Nearly Ideal Binary Solvent (NIBS) model. The most successful equation in terms of goodness of fit involved a surface fraction average of the excess Gibbs free energy relative to Raoult's law and predicted the experimental solubilities in 17 systems with an average deviation of 2.3% and a maximum deviation of 8.9%. Two expressions approximating weighting factors with molar volumes provided accurate predictions in many systems studied but failed in their ability to predict pyrene solubilities in solvent mixtures containing benzene.     

Solubility of Electrolyte in Mixed Solvent-Salt-DMSO or DMF-Inert Solvent System

This paper reports the solubilities of salts in mixed solvents of DMSO or DMF with 1 enzene,toluene and p-Xylene or rarlon teirachloride.The result Is in accord with the empiricalformula A preliminary discussion on was given.Based on the nrod-ifled Porn equation,the transrer Gihis free energy formula has been got,and the app oach of K is given asThe meanns of the aho e formula,calculaed value and condition of ionic solvation veed seussed     

Solvent Solubility Testing of Cosmetics-Relevant Chemicals: Methodology and Correlation of Water Solubility to In Silico Predictions

Aqueous solubility is one of the main physicochemical parameters used to assess skin absorption. As solvents have great impact on skin absorption, knowledge of chemical solubility in appropriate solvents is key to correlate in vitro skin penetration with in vivo outcomes. For example, acetone:olive oil, ethanol and dimethyl sulfoxide are all relevant to in vitro and in vivo assays. Solubility information is also needed to identify the optimal solvent for skin penetration assays. Therefore, we have measured the solubilities of 54 chemicals related to cosmetics and the reference controls for skin sensitization and genotoxicity, in five different solvents: water, DMSO, ethanol, acetone:olive oil (4:1), 5% ethanol in 0.1 mol·L^?1 phosphate buffered saline. The solubility protocol resulted in highly reproducible values, with greatest variability for poorly soluble chemicals, especially those in 0.1 mol·L^?1 PBS, which may be due to the high salt content. There was good agreement between experimental and literature values for water solubility (mean difference < twofold). A better correlation of experimental values with in silico predictions was obtained using ACD/Labs software (mean difference < fourfold, R² = 0.64) than WSKOW from EpiSuite (mean difference < eightfold, R² = 0.48). Chemicals with a log₁₀P > 2 generally exhibited a poor solubility in water but a much higher solubility in acetone:olive oil, ethanol and DMSO. These five solvents include pH effects, acceptor and donor hydrogen bonding and non-polar interactions. Thus, the solubility profile across these different solvents would help to characterize the chemicals related to their cutaneous absorption with different vehicles and their toxicity assessment.     

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

Abstract

Experimental solubilities are reported for anthracene dissolved in four binary alkane + 2-methyl-2-propanol solvent mixtures at 25°C. The alkane cosolvents studied were n-heptane, 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 four 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 ±0.5%. Slightly larger deviations were noted in the case of the Modified Wilson equation.     

Solvent Effect in Binary Copolymerization

Recently published experimental data concerning the solvent effect in binary copolymerization are re‐analyzed. Newer, more accurate, reactivity ratios were calculated using a non‐linear method (PROCOP), which involves all experimental data, conversion values included. The differences between the reactivity ratios provided by the recalculated values are discussed in terms of solvent effect. Based on the existing experimental data, the solvent effect was identified only for a few binary copolymerization systems.     

Deformation of a Polymer Brush Immersed in a Binary Solvent

An analog of the Alexander‐De Gennes box model is used for the theoretical investigation of an external deformation of polymer brushes in a mixture of two solvents. The basic solvent A and the admixture B are assumed to be highly incompatible (Flory‐Huggins parameter χ_AB = 3.5). The thermodynamics of a polymer in the solvents A and B is described by parameters χ_A and χ_B, χ_A > χ_B. The brush behavior under deformation is investigated with regard to solvent composition and polymer‐solvent interactions. It is shown that in a pre‐binodal range of the solvent composition Φ_B < Φ_B⁰ in the bulk (here Φ_B⁰ is a binodal value) there is such a value of Φ_B = Φ _B* that deformation does not affect solvent composition inside the brush. This invariant quantity Φ _B*, being a function of only thermodynamic parameters, is independent of the brush characteristics, such as grafting density. It is shown that two types of the first‐order phase transitions can arise in the system considered: a compositional phase transition induced by a change in the solvent composition in the bulk, and a deformational phase transition caused by an external deformation of the brush. The value of Φ _B* defines a borderline concentration of the admixture in the bulk; the brush behavior in the ranges 00 ⪇ Φ_B ⪇ Φ _B* and Φ _B* ⪇ Φ_B < Φ_B⁰ are different. If no compositional phase transition occurs in the system, the deformational phase transition should arise under stretching at Φ _B* ⪇ Φ_B. If the compositional phase transition exists, it is realized in the range Φ_B < Φ _B* and causes the deformational phase transition in this concentration range, not only under stretching, but also under compression. Microphase segregation inside the brush is demonstrated for both phase transitions despite overestimation of the brush homogeneity in the box model.     

Adsorption Characteristics in Reversed-Phase Liquid Chromatography Using Ethanol/Water Mixed Solvent

Adsorption characteristics were studied in a reversed-phase liquid chromatography consisting of an octadecylsilyl (ODS)-silica gel and ethanol/water mixture (70/30, v/v), and were compared with corresponding results obtained by using methanol/water and acetonitrile/water mixtures (70/30, v/v) as mobile phase. Similar tendencies were observed for some adsorption characteristics in the three chromatographic systems. However, the magnitude of the characteristics was not entirely identical in the three systems. Surface diffusion was dominant for intraparticle diffusion in the ODS-silica gel particles irrespective of the type of the organic modifiers in mobile phases. A few correlations were confirmed with regard to surface diffusion, i.e., an enthalpy-entropy compensation and a linear free-energy relation. The analogous correlations on surface diffusion phenomena suggest the similarity in the mechanism of surface diffusion in the three chromatographic systems.     

乙醇/水溶剂体系中Pt-Co/ZrO2催化剂上肉桂醛的选择性加氢性能

研究了乙醇/水溶剂体系中Pt-Co/ZrO2催化剂上肉桂醛的选择性加氢性能研究结果表明,在乙醇/水溶剂体系中,催化剂Pt-0.4% Co/ZrO2具有良好的肉桂醛加氢活性和生成肉桂醇的选择性.载体ZrO2的织构性质对Pt-Co/ZrO2催化剂的活性具有重要影响,具有较大孔径、高比表面积的载体有利于活性组分的分散和反应底...