Solid–Liquid Phase Equilibrium and Thermodynamic Properties of Olaparib in Selected Organic Solvents and (Tetrahydrofuran + MTBE, Acetonitrile + Isopropyl Alcohol) Binary Solvent Mixtures

This study investigated the mole fraction solubility of potassium fluoride in eight single solvents (methanol, ethanol, n-propanol, n-butanol, 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 1-methoxy-2-propanol) and four binary solvent mixtures (methanol + isopropanol, methanol + acetone, methanol + acetonitrile, and methanol + ethyl acetate) using the gravimetric method within the temperature range of 278.15 to 323.15 K (with 5 K intervals). The results demonstrated a gradual decrease in the solubility of potassium fluoride with increasing temperatures across all investigated solvent systems. For the four binary solvent mixtures studied, the solubility of potassium fluoride exhibited an increase with a higher mass fraction of methanol at a constant temperature. The experimental solubility data were correlated using four empirical models (van't Hoff model, modified Apelblat model, CNIBS/R-K model, and Jouyban−Acree−Apelblat model), all of which exhibited excellent fitting performance. Comparison of different model fitting results revealed that the modified Apelblat model yielded lower values for relative deviation (ARD) and root-mean-square deviation (RMSD), indicating its superior fitting accuracy and suitability for fitting the experimental data of potassium fluoride in the selected solvents.

Section: Methodsmentioning

confidence: 99%

Determination and Correlation of the Solubility of Potassium Fluoride in Eight Single Solvents and Four Binary Solvent Mixtures at Different Temperatures

Xue,

Wang,

Chen

et al. 2024

“…In the actual chemical production process, the solid–liquid phase equilibrium provides theoretical support to design and optimize the conditions in the crystallization and recrystallization process. In the industrial crystallization process, the yield of crystallization depends on the equilibrium between the solid and the solution, which is usually expressed by the solubility of the solid in the solvent. − …”

Section: Introductionmentioning

confidence: 99%

Measurement and Correlation of the Solubility of 4-Biphenylcarboxylic Acid in Nine Pure and Binary Mixed Organic Solvents from T = 293.15 to 328.15 K

Wang

et al. 2021

In this paper, we chose gravimetric analysis to measure the solubility of 4biphenylcarboxylic acid in nine pure and binary mixed organic solvents from T = 293.15 to 328.15 K. It is demonstrated that with the increase of temperature, the solubility of 4biphenylcarboxylic acid in each of the solvents increases. Meanwhile, the experimental data are fitted with five classical models: Apelblat, van't Hoff, λh, nonrandom two-liquid (NRTL), and UNIQUAC. The maximum relative average deviations in pure solvents and binary mixed solvents are 0.935 and 1.563%. The fitted result meets the requirements. In addition, this paper also studies the thermodynamic parameters of 4-biphenylcarboxylic acid in the dissolution process and calculates the mixing Gibbs free energy, mixing enthalpy, and mixing entropy during the dissolution process. All of the mixing Gibbs free energy values are less than 0, which shows that the dissolution process is spontaneous.

“…In a recent paper published in the Journal of Chemical & Engineering Data Zhao and co-workers reported the solubility of olaparib in binary tetrahydrofuran + methyl tert -butyl ether (MTBE) and acetonitrile + 2-propanol solvent mixtures in the temperature range of 280.35–319.35 K. Solubilities were measured at six mixture compositions and in both monosolvents for each binary solvent system. The authors correlated their measured mole fraction solubility data, x 1 , using a polynomial equation: derived from the combined nearly ideal binary solvent (NIBS)/Redlich–Kister model, and a second mathematical representation: based on the Combined Jouyban-Acree and van’t Hoff models.…”

mentioning

confidence: 99%

Comment on “Solid-Liquid Phase Equilibrium and Thermodynamic Properties of Olaparib in Selected Organic Solvents and (Tetrahydrofuran + MTBE, Acetonitrile + Isopropyl Alcohol) Binary Solvent Mixtures”

Acree

2018

Several mathematical errors in the published paper by Zhao and co-workers are identified. The errors pertain to the calculated equation coefficients for the polynomial version of the combined nearly ideal binary solvent (CNIBS)/Redich-Kister and for the Combined Jouyban–Acree–van’t Hoff equation. In the case of the CNIBS/Redlich–Kister equation the authors’ tabulated equation coefficients give 100 times the mole fraction solubility of olaparib, and not the mole fraction solubility as the authors’ equation implies.