Temperature and solvent dependent apparent thermodynamic behavior of 2-Mercaptomethyl Benzimidazole in pure and binary solvents from 283.15 K to 328.15 K

Li, Mingchen; Zhu, Peipei; Han, Dandan; Cui, Yingdan; Ding, Zhewen; Yang, Hexiong; Wang, Lingyu; Gong, Junbo

doi:10.1016/j.molliq.2017.09.118

Cited by 25 publications

(14 citation statements)

References 21 publications

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“…The binary solvents were more favorable for the crystallization process on account of the low solubility of GCM. 26 In this work, acetonitrile was selected as the antisolvent which has the lowest solubility. Acetone was selected as the good solvent.…”

Section: Solubility Of Gcm In Monosolventsmentioning

confidence: 99%

Solubility Determination and Correlation of Glibenclamide in 11 Monosolvents and (Acetone + Acetonitrile) Binary Solvents from 283.15 K to 323.15 K

et al. 2018

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Glibenclamide (GCM) is an oral antihyperglycemic drug and widely used to treat type-II diabetes. The quality of the GCM product impacts the efficacy of the medicine. However, the quality of the product is determined by the crystallization process, in which the solubility property plays a significant role. In this study, GCM solubility in 11 monosolvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, acetonitrile, methyl isobutyl ketone, methyl acetate and ethyl acetate) and (acetone + acetonitrile) binary solvents, has been determined through a gravimetric method from 283.15 K to 323.15 K. It elucidates that GCM has the highest solubility in acetone among the 11 monsolvents. Meanwhile, the solubility of GCM in (acetone + acetonitrile) binary solvents increases when the mole fraction of acetone rises. Then, we correlated the solubility data in monosolvents using the modified Apelblat model and nonrandom two-liquid (NRTL) model. Besides, the modified Apelblat model, the CNIBS/R-K model, Jouyban–Acree model, and NRTL model were adopted to fit the data in (acetone + acetonitrile) mixture solvents. Furthermore, thermodynamic properties were calculated on the basis of the NRTL model.

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Section: Solubility Of Gcm In Monosolventsmentioning

confidence: 99%

Solubility Determination and Correlation of Glibenclamide in 11 Monosolvents and (Acetone + Acetonitrile) Binary Solvents from 283.15 K to 323.15 K

et al. 2018

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“…The NRTL (nonrandom two-liquid) model is widely used to simulate and predict nonideal systems’ solid–liquid equilibrium properties, which can be presented as follows where x i represents the mole fraction of component i and T m and Δ fus H are the melting temperature and enthalpy of fusion of PYL, respectively. γ i is the activity coefficient of the component in equilibrium …”

Section: Thermodynamic and Correlating Modelsmentioning

confidence: 99%

“…NRTL Model. The NRTL (nonrandom two-liquid) model 21 is widely used to simulate and predict nonideal systems' solid−liquid equilibrium properties, which can be presented as follows 7…”

Section: Thermodynamic and Correlating Modelsmentioning

confidence: 99%

“…From the perspective of the pyrimethanil chemical structure, we note that the molecular structure of pyrimethanil (A) consists of a secondary amine group, a benzene ring, and a pyrimidine ring, which indicates that the solubility may depend on hydrogen bonding forces between the N−H and O−H in the alcohols. 21 The lower solubility in the cyclohexane compared to that in alcohols demonstrated that the existence of the hydrogen bonding acceptor in alcohols exerts a notable superiority of the solubility property. Furthermore, the steric effects should be taken into consideration.…”

Section: Journal Of Chemical and Engineering Datamentioning

confidence: 99%

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Measurement and Correlation of the Solubility of Pyrimethanil in Seven Monosolvents and Two Different Binary Mixed Solvents

et al. 2018

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The solubility of pyrimethanil in two binary solvents (water + methanol and water + ethanol) and seven monosolvents (methanol, ethanol, n-propanol, isopropanol, nbutanol, isobutanol, and cyclohexane) was measured by a gravimetric method within the temperature range of 283.15 to 323.15 K at atmospheric pressure. In the investigated temperature range, the solubility of pyrimethanil in all monosolvents or mixed solvents increases with increasing temperature. The solubility in the monosolvents was wellcorrelated using the NRTL model, the Apelblat model, and the Wilson model. Furthermore, the NRTL model and the modified version of the Jouyban−Acree model (the Apel-JA equation) were employed to correlate the solubility in binary solvents. The results showed that these models have a satisfactory correlation. When we measured the solubility, we found that the solvent has a great influence on the crystal habit. Therefore, these results can give guidance for practical industrial processes such as the design of the crystallization process and control of the crystal morphology.

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“…Herein, the solubility of γ-form PZA in 13 solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, acetonitrile, water, 1,4-dioxane, methyl acetate, n-propyl acetate, and ethyl acetate) in the temperature ranging from 278.15 to 318.15 K was measured by a dynamic method. 20 The experimental data were correlated by four thermodynamic models, namely, λh equation, Apelblat equation, Wilson model, and nonrandom two-liquid (NRTL) model. Moreover, the thermodynamic properties (the Gibbs free energy, enthalpy, and entropy) were also obtained.…”

Section: Introductionmentioning

confidence: 99%

Effects of Temperature and Solvent Properties on the Liquid–Solid Phase Equilibrium of γ-Pyrazinamide

et al. 2020

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The thermodynamic solubility of γ-pyrazinamide in 13 solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, acetonitrile, water, 1,4-dioxane, methyl acetate, ethyl acetate, and n-propyl acetate) was measured by a dynamic method from 278.15 to 318.15 K. The results were modified by four models (λh equation, Apelblat equation, Wilson model, and nonrandom two-liquid (NRTL) model), and all of the relative standard deviation (RSD) values were less than 6%, indicating that the correlated data is in good agreement with the experiments. The thermodynamic parameters of mixing (Δmix H, Δmix G, and Δmix S) were calculated by the NRTL model. Furthermore, the physicochemical properties of different solvents were investigated to visualize the solvent effects. The results indicated that for the ester and alcohol systems, the “like dissolves like” principle and mass transfer rules were the main factors that affect the solubility, and for other solvents, hydrogen bond donor propensities played the key role.

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Temperature and solvent dependent apparent thermodynamic behavior of 2-Mercaptomethyl Benzimidazole in pure and binary solvents from 283.15 K to 328.15 K

Cited by 25 publications

References 21 publications

Solubility Determination and Correlation of Glibenclamide in 11 Monosolvents and (Acetone + Acetonitrile) Binary Solvents from 283.15 K to 323.15 K

Solubility Determination and Correlation of Glibenclamide in 11 Monosolvents and (Acetone + Acetonitrile) Binary Solvents from 283.15 K to 323.15 K

Measurement and Correlation of the Solubility of Pyrimethanil in Seven Monosolvents and Two Different Binary Mixed Solvents

Effects of Temperature and Solvent Properties on the Liquid–Solid Phase Equilibrium of γ-Pyrazinamide

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