scholarly journals Determination and Calculation of Phase Equilibrium for Aqueous Ternary System (NH2)2CO+KCl+H2O at 283.15K

2020 ◽  
Vol 185 ◽  
pp. 04045
Author(s):  
Xue Hu ◽  
Tianxiang Li ◽  
Ruizhe Wang ◽  
Jiamin Yang ◽  
Qiang Wu ◽  
...  

The solid-liquid phase equilibrium for ternary system (NH2)2CO+KCl+H2O was determined by isothermal saturation method at 283.15K under atmosphere pressure. The isothermal phase diagrams was drawn in according to the measured solubility data. There are one co-saturated point and two pure solids occurred in this ternary system. The solid phases were confirmed by Schreinemaker’s wet residue method and X-ray powder diffraction. Two thermodynamic models, Wilson model and NRTL model, were used to calculate the solubility data. The value of root mean-square deviation in Wilson model and NRTL model for this ternary system was 0.22 and 0.66 respectively, and the value of relative average deviation was 0.61% and 2.33% respectively, which indicated that the calculated data and the experimental results are nearly consistent.

2017 ◽  
Vol 106 ◽  
pp. 256-261 ◽  
Author(s):  
Yunxue Gao ◽  
Shuni Li ◽  
Quanguo Zhai ◽  
Yucheng Jiang ◽  
Mancheng Hu

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4759
Author(s):  
Marina Ol’khovich ◽  
Angelica Sharapova ◽  
Svetlana Blokhina ◽  
German Perlovich

A temperature dependence of saturated vapor pressure of isavuconazole (IVZ), an antimycotic drug, was found by using the method of inert gas-carrier transfer and the thermodynamic functions of sublimation were calculated at a temperature of 298.15 K. The value of the compound standard molar enthalpy of sublimation was found to be 138.1 ± 0.5 kJ·mol−1. The IVZ thermophysical properties—melting point and enthalpy—equaled 302.7 K and 29.9 kJ mol−1, respectively. The isothermal saturation method was used to determine the drug solubility in seven pharmaceutically relevant solvents within the temperature range from 293.15 to 313.15 K. The IVZ solubility in the studied solvents increased in the following order: buffer pH 7.4, buffer pH 2.0, buffer pH 1.2, hexane, 1-octanol, 1-propanol, ethanol. Depending on the solvent chemical nature, the compound solubility varied from 6.7 × 10−6 to 0.3 mol·L−1. The Hansen s approach was used for evaluating and analyzing the solubility data of drug. The results show that this model well-described intermolecular interactions in the solutions studied. It was established that in comparison with the van’t Hoff model, the modified Apelblat one ensured the best correlation with the experimental solubility data of the studied drug. The activity coefficients at infinite dilution and dissolution excess thermodynamic functions of IVZ were calculated in each of the solvents. Temperature dependences of the compound partition coefficients were obtained in a binary 1-octanol/buffer pH 7.4 system and the transfer thermodynamic functions were calculated. The drug distribution from the aqueous solution to the organic medium was found to be spontaneous and entropy-driven.


2017 ◽  
Vol 108 ◽  
pp. 1-6 ◽  
Author(s):  
Congcong Yin ◽  
Meitang Liu ◽  
Jing Yang ◽  
Hongwen Ma ◽  
Zheng Luo

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