Determination and correlation of solubility and solution thermodynamics of oxiracetam in three (alcohol + water) binary solvents

Self Cite

The solubility of mesotrione in 12 pure solvents was determined at a temperature ranging from 283.15 to 323.15 K using a gravimetric method. The solubility increased expectedly with temperature increasing in all solvents. Solubility in these pure solvents was well correlated by the modified Apelblat equation, λh equation, and NRTL model. The modified Apelblat model achieves the best fitting results. Based on the study of solvent properties, it was found that the polarity and hydrogen bond donor ability of solvent determine the solubility of mesotrione in alcohols, whereas in other solvents, cohesive energy density plays the key role. Finally, thermodynamic functions of mixing were derived for further understanding of the mixing process.

Section: Resultssupporting

confidence: 81%

Correlation and Thermodynamic Analysis of Solubility of Mesotrione in Pure Solvents

Yang

Dong

et al. 2020

Self Cite

“…Based on some further assumptions and simplification, a simplified local composition model can be expressed as follows: 16 i k j j j j j y…”

Section: λHmentioning

confidence: 99%

“…Based on some further assumptions and simplification, a simplified local composition model can be expressed as follows: where Δ fus H , R , and T m refer to the enthalpy of fusion, gas constant, and melting point of QPE, respectively. γ i , the activity coefficient of the solute in the saturated solution, was obtained by the NRTL model.…”

Section: Thermodynamic and Correlating Modelsmentioning

confidence: 99%

Determination and Correlation of Solubility of Quizalofop-p-ethyl in Seven Pure Solvents and Three Binary Solvents

Bai

Yang

et al. 2021

The solubility of quizalofop-p-ethyl (QPE) in seven pure solvents and three binary solvents (n-heptane + ethanol/ethyl acetate/acetone) in the temperature range from 278.15 to 318.15 K was determined by using the gravimetric method. It is found that the solubility of QPE in the seven pure solvents from 278.15 to 303.15 K follows the order: acetone > ethyl acetate > isobutyl alcohol > tert-butanol > ethanol > n-heptane > n-hexane. In each pure solvent, the QPE solubility increases with increasing temperature. In the three binary solvent systems, the QPE solubility increases with increasing temperature and increasing proportion of good solvent, i.e., ethanol/ethyl acetate/acetone. The experimental solubility of QPE in pure solvents was correlated by the modified Apelblat equation, λh model, and NRTL model, among which modified the Apelblat model gave the best accuracy with RMSD and ARD of less than 0.8100 × 10–4 and 10.26%, respectively. The solubility in the binary solvent systems was correlated by the λh model, NRTL model, and CNIBS/R-K equation, which also provided good correlation accuracy with RMSD and ARD less than 1.258 × 10–3 and 6.61%, respectively. Furthermore, the thermodynamic properties including the mixed thermodynamic properties of Gibbs energy change (Δmix G), molar enthalpy change (Δmix H), and molar entropy change (Δmix S) were calculated from the experimental solubility data by using the NRTL model. The negative Δmix G and positive Δmix H and Δmix S indicate that the mixed processes of QPE in the test solvent systems are all endothermic and entropically favorable. The experimental solubility and the models used in this work would be conducive to purifying QPE via crystallization.

“…The Jouyban–Acree model − is applied to correlate the solubility of drugs in the mixed solvent systems which embodied both the effect of temperature and solvent composition. The original function by modifying the CNIBS/R-K model is shown as where J n is a constant of the function.…”

Section: Solubility Modelsmentioning

confidence: 99%

Solubility Determination and Thermodynamic Modeling of Sodium Thioglycolate in Pure and Binary Solvent Mixtures from T = (293.15 to 333.15) K

Zhang

et al. 2017

The solubility of sodium thioglycolate in five pure solvents of water, methanol, ethanol and isopropyl alcohol, n-propanol and four binary solvent mixtures (water + methanol, water + ethanol, water + isopropyl alcohol, water + n-propanol) was determined within the temperature range from (293.15 to 333.15) K by using the gravimetrical method under atmospheric pressure (p = 0.1 MPa). The solubility of sodium thioglycolate in water, ethanol, isopropyl alcohol, and n-propanol increases with a rise of temperature, but the solubility decreases in methanol with increasing temperature. Meanwhile, in the binary solvent mixtures (water + methanol, water + ethanol, water + isopropyl alcohol, water + n-propanol), the solubility of sodium thioglycolate increases with increasing the mole fraction of water and with temperature. The modified Apelblat equation and van’t Hoff equation were applied to correlate the solubility of sodium thioglycolate in the five pure solvents, while in the binary solvent mixtures, the solubility was correlated by the modified Apelblat equation, CNIBS/R-K model, and Jouyban–Acree model. It was shown that the correlated results were in better agreement with the experimental data. Also, the mixing thermodynamic properties for sodium thioglycolate in the binary solvent mixtures were calculated.