Solubility and Thermodynamic Properties of Clotrimazole in 16 Organic Solvents at Temperature of 283.15 to 323.15 K

Bisphenol-Z is used as a high-performance monomer in the production of advanced engineering plastics, resins, polycarbonates, optical films, adhesives, coatings, polyesters, and other industrial applications. The gravimetric method was used to determine the solubility of bisphenol Z (BPZ) in nine monosolvents (methanol, ethanol, 1-propanol, 2-propanol, 1butanol, acetone, 1,4-dioxane, ethyl acetate, and tetrahydrofuran) and one binary solvent system (tetrahydrofuran + 1-propanol) under an atmospheric pressure (P = 0.1 MPa) over temperature ranges of 288.15−328.15 and 293.15−328.15 K, respectively. The mole fraction solubility of BPZ showed a positive effect of temperature in all mono solvent and binary solvent systems. In mono solvents, the highest mole fraction solubility was obtained in tetrahydrofuran (0.3082 at 328.15 K), and the lowest was in ethanol (0.0202 at 328.15 K); in binary solvent, the highest mole fraction solubility (0.3078) was obtained at 328.15 K with a 0.9 mole fraction of (tetrahydrofuran + 1-propanol), and the lowest solubility (0.1472) was with the 0.1 mole fraction. Recently, several widely recognized models, such as the modified Apelblat model, λh model, Wilson model, and nonrandom two-liquid model (NRTL) have been extensively employed to establish correlations between experimental mole fraction solubility in various solvents. In this study, we used these models to analyze and correlate the experimental solubility data. Additionally, the solubility data obtained from the experiment and model-fitted data were evaluated using relative average deviation (RAD) and root mean square deviation (RMSD). A low value for RMSD and RAD indicates a satisfactory outcome in terms of the correlation between the experimental and model solubility data. Lastly, the mixing thermodynamic parameters of solutions, such as mixing Gibbs free energy, mixing enthalpy, mixing entropy, and activity coefficient at infinitesimal concentration, were obtained by the correlation results of the Wilson model. The dissolution process was found to be spontaneous and exothermic.

Section: Resultsmentioning

confidence: 99%

Measurement, Correlation, and Thermodynamic Properties of the Solubility of Bisphenol Z (BPZ) in Nine Mono and (Tetrahydrofuran + 1-Propanol) Binary Solvents

Ghumara,

Raijada,

Patel

et al. 2023

“…The λh equation was first derived by Buchowski et al, who studied the dissolution process of phenols and benzoic acids in nonpolar solvents. The λh equation is also an empirical equation, which is expressed as 16,21,22 Ä…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

“…It is widely used to predict the thermodynamic properties of multiphase systems and can reflect the influence of the temperature on the activity coefficient. The expression of solute activity coefficient in pure solvents can be expressed by eqs –. ,, Here x 1 and x 2 are the mole fraction of the OG in the pure solvent and the mole fraction of the solvent in solution, respectively. x 2 can be calculated by using eq .…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

See 1 more Smart Citation

Solubility Measurement and Model Correlation of N,N′-Oxalyldiglycine in Eleven Pure Solvents and a Binary Solvent from 293.15 to 333.15 K

Huang,

Wang,

Jiang

et al. 2023

The solubility of N,N’-oxalyldiglycine (OG) in 11 pure solvents, including methanol, ethanol, n-propanol, isopropyl alcohol, n-butanol, acetonitrile, ethyl acetate, tetrahydrofuran (THF), water, N,N’-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO), and a binary solvent system composed of DMSO and water was measured by a dynamic laser monitoring method with the temperature ranging from 293.15 to 333.15 K. Results of these experiments demonstrated that the solubility of OG in all pure solvents increases with rising temperature. The highest solubility appeared in DMSO while the lowest solubility appeared in ethyl acetate. Besides, the mole fraction solubility of OG in binary solvents increases with increasing content of DMSO. Furthermore, the experimental solubility of OG in pure solvents was correlated with the modified Apelblat, Van’t Hoff, λh, and Wilson models. Four models (Van’t Hoff, CNIBS/R–K, modified Jouyban–Acree, and Wilson) were used for the binary solvents. The Van’t Hoff model best correlates with the experimental values in pure and binary solvents, and the calculated values by the Wilson model have a large deviation from the experimental values.

“…The parameters (Λ 12 , Λ 21 ) 32 in eq 12 can be calculated from V (pure component molar volume) and Δλ (characteristic energy difference); the model is suitable for calculating the activity coefficients of solutes 33,34 and is expressed 35 as eqs13−16.…”

Section: Solubility Measurementmentioning

confidence: 99%

Exploring the Dissolution Behavior of m-Hydroxybenzoic Acid in 14 Pure Solvents Using Thermodynamic, Molecular Simulation and Hansen Solubility Parameters

Liu,

Yang,

Shi

et al. 2023

In this study, the solubility of m-hydroxybenzoic acid in 14 organic pure solvents (acetone, iso-propanol, ethanol, n-propanol, methanol, ethylene glycol, n-pentanol, n-butanol, methyl acetate, n-propyl acetate, ethyl acetate, butyl acetate, iso-propyl acetate, acetonitrile) at the pressure of 0.1 MPa (at T = 278.15–323.15 K) was studied by the static weight method. The order of solubility (molar fraction) of m-hydroxybenzoic acid in the 14 pure solvents at 278.15 K was acetone > iso-propanol > ethanol > n-propanol > methanol > ethylene glycol > n-pentanol > n-butanol > methyl acetate > n-propyl acetate > ethyl acetate > butyl acetate > iso-propyl acetate > acetonitrile. As the temperature improved, the solubility correspondingly increased. The m-hydroxybenzoic acid solubility data in pure solvents were connected using the modified Apelblat model, the λh model, the NRTL model, and the Wilson model, and the best-fit performance was obtained using a modified Apelblat model. Performance was obtained using a modified Apelblat model. Two molecular dynamics analysis methods, Hirshfeld surface analysis and molecular electrostatic potential surface (MEP) analysis, were used to determine the dissolution process of m-hydroxybenzoic acid crystals and the interaction sites with solvent molecules in solution. The Hansen solubility parameters (HSPs) were utilized to assess the solvent’s capability and to elucidate its ability to dissolve m-hydroxybenzoic acid.