Naphthalene Solubility in Binary Solvent Mixtures of 2,2,4-Trimethylpentane + Alcohols at 298.15 K

Shayanfar, Ali; Soltani, Somaieh; Jabbaribar, Farnaz; Hamidi, A. A.; Acree, William E.; Jouyban, Abolghasem

doi:10.1021/je7005049

Cited by 12 publications

(18 citation statements)

References 14 publications

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“…On the basis of these figures and the MDs of methods I to IV, it is obvious that method I provides better results which is in agreement with previous findings. 10,11,14 As an ab initio approach, method III gave acceptable results in comparison with the other method which is in agreement with other works. 10,11,14 It has been shown that the predictability of the proposed model is acceptable when compared against the experimental uncertainty.…”

Section: Resultssupporting

confidence: 90%

“…10,11,14 As an ab initio approach, method III gave acceptable results in comparison with the other method which is in agreement with other works. 10,11,14 It has been shown that the predictability of the proposed model is acceptable when compared against the experimental uncertainty. On the basis of previous 10 and recent reports, it is possible to suggest that method III can be used for prediction of the solubility of phenanthrene in different nonaqueous solvent mixtures.…”

Section: Resultssupporting

confidence: 90%

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Solubility of Phenanthrene in Binary Mixtures of C₁−C₄ Alcohols at 298.2 K

2009

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Experimental solubilities are reported for phenanthrene in binary solvent mixtures of methanol + 1-propanol, methanol + 1-butanol, ethanol + 1-propanol, ethanol + 1-butanol, and 1-propanol + 1-butanol at 298.2 K. Results of these measurements were used to evaluate the prediction capability of previously developed quantitative structure-property relationships employing the solubility data in monosolvents and the mean deviations (MDs) of the models' predicted values from the measured data varied between (1.7 and 42.5) %. The overall MDs (OMDs) for the prediction methods were 2.8 (( 2.7) % and 14.3 (( 23.3) %, respectively, for water-to-solvent and gas-to-solvent coefficients. Using ab initio prediction methods, the MDs varied between (6.2 and 155.8) %, and the OMDs were 11.4 (( 6.5) % and 92.1 (( 48.0) %.

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Section: Resultssupporting

confidence: 90%

Section: Resultssupporting

confidence: 90%

Solubility of Phenanthrene in Binary Mixtures of C₁−C₄ Alcohols at 298.2 K

2009

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“…Shayanfar et al 77 determined the solubility of anthracene in binary solvent mixtures containing 2,2,4-trimethylpentane with methanol, ethanol, 1-propanol, 2-propanol, and 1-butanol at 298.15 K. There has only been a single experimental determination for the solubility of naphthalene in each of the binary solvent systems studied. The experimental values were evaluated by curve-fitting the measured solubility data to Eq.…”

Section: Critical Evaluation Of Experimental Solubility Datamentioning

confidence: 99%

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

Acree

2013

Journal of Physical and Chemical Reference Data

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This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures. Published solubility data for anthracene, naphthalene, phenanthrene, phenothiazine, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 360 different solute-binary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.

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“…In these equations, c, e, s, b, v, and l are the Abraham solvent coefficients 10 ( Table 1); E is the excess molar refraction, S is the dipolarity/ polarizability, B is the hydrogen bond basicity, V is one percent of McGowan volume, and L is the logarithm of gas-hexadecane partition coefficient of the solute at 298.15 K. 10 The solubilities of anthracene and phenanthrene in binary solvent mixtures have been extensively studied. [7][8][9]11,12 To the best of our knowledge, there is no reported solubility data for anthracene and phenanthrene in ethanol þ 2,2,4-trimethylpentane mixtures in the literature. The aims of this study are: (1) The solubilities of anthracene and phenanthrene in ethanol þ 2,2,4-trimethylpentane at (298.2, 308.2, and 318.2) K are reported.…”

Section: ' Solubility Modelsmentioning

confidence: 99%

Solubility of Anthracene and Phenanthrene in Ethanol + 2,2,4-Trimethylpentane Mixtures at Different Temperatures

Shayanfar¹,

Eghrary²,

Sardari³

et al. 2011

J. Chem. Eng. Data

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Solubility of anthracene and phenanthrene in binary mixtures of ethanol þ 2,2,4-trimethylpentane at (298.2, 308.2, and 318.2) K are reported. Five numerical methods were used to predict the solubility of anthracene and phenanthrene in the studied binary solvent mixtures, and the mean relative deviation (MRD) was used as an error criterion. The MRD values for studied solvents are in acceptable range. ' INTRODUCTIONPolycyclic aromatic hydrocarbons (PAHs) are among environmental pollutants with very low aqueous solubility values. Anthracene (with aqueous solubility of 0.0076 mg 3 L -1 ) and phenanthrene (with aqueous solubility of 1.20 mg 3 L -1 ) are among the most commonly found PAHs in the environment. 1 Anthracene and phenanthrene are two isomeric forms of the simplest tricyclic aromatic hydrocarbon ( Figure 1) and were used as model compounds in this work. Phenanthrene has lower molecular total energy, and it is more stable than anthracene according to ab initio studies using molecular orbital method in the gas phase. 2 Solubility alteration of chemicals is required in many industrial applications, and the solvent mixing or cosolvency is one of the most frequent and feasible methods used in the industry. Using different ratios of the solvents, a wide range of solubility for a given compound can be achieved. The next parameter which could be employed in the chemical industry is the changing temperature of the system which make a significant contribution in solubilization or crystallization of a compound. Finding an optimum solvent composition and the appropriate temperature in solubility investigations is usually obtained by trial and error which is both time-consuming and costly. ' SOLUBILITY MODELSNumerous predictive models have been introduced to replace the trial-and-error approach or at least reduce the number of required experimental data. 1 One of these models, is the Jouyban-Acree model which correlates the solubility of a solute in binary solvent mixtures at various temperatures. 3where X m,T Sat is the solute mole fraction solubility in the mixed solvents at temperature T; x 1 and x 2 are the mole fractions of solvents 1 and 2 in the absence of the solute; X 1,T Sat and X 2,T Sat denote the mole fraction solubility of the solute in monosolvents 1 and 2; and J i terms are the solvent-solvent and solute-solvent interaction coefficients. Our previous results showed that the model could be trained using the experimental data at 298.2 K and be used to predict the solubility at other temperatures of interest with acceptable error. 4 These coefficients could also be computed using a minimum number of experimental solubility data in binary solvents and then be employed to predict solubility at other solvent compositions. To provide trained versions of the model to predict the solubility in binary solvents without employing solubility data in mixed solvents, a number of attempts were made. The binary interaction terms (J terms) have been correlated with the Hildebrand solubility parameters of the sol...

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Naphthalene Solubility in Binary Solvent Mixtures of 2,2,4-Trimethylpentane + Alcohols at 298.15 K

Cited by 12 publications

References 14 publications

Solubility of Phenanthrene in Binary Mixtures of C₁−C₄ Alcohols at 298.2 K

Solubility of Phenanthrene in Binary Mixtures of C₁−C₄ Alcohols at 298.2 K

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

Solubility of Anthracene and Phenanthrene in Ethanol + 2,2,4-Trimethylpentane Mixtures at Different Temperatures

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Naphthalene Solubility in Binary Solvent Mixtures of 2,2,4-Trimethylpentane + Alcohols at 298.15 K

Cited by 12 publications

References 14 publications

Solubility of Phenanthrene in Binary Mixtures of C1−C4 Alcohols at 298.2 K

Solubility of Phenanthrene in Binary Mixtures of C1−C4 Alcohols at 298.2 K

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

Solubility of Anthracene and Phenanthrene in Ethanol + 2,2,4-Trimethylpentane Mixtures at Different Temperatures

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Solubility of Phenanthrene in Binary Mixtures of C₁−C₄ Alcohols at 298.2 K

Solubility of Phenanthrene in Binary Mixtures of C₁−C₄ Alcohols at 298.2 K