Research and comparison of solid-liquid phase equilibrium and ternary phase diagrams of 1-(3-nitrophenyl)ethanone + 1-(4-nitrophenyl)ethanone in different solvents
The ternary phase equilibrium for 1-(3-nitrophenyl)ethanone and 1-(4-nitrophenyl)ethanone in methanol or n-propanol were determined at 298.15, 308.15 K and 318.15 K under atmospheric pressure in this work. Based on the measured mutual solubility data, the isothermal ternary phase diagrams were constructed. In each ternary phase diagram, there were one co-saturated point, two boundary curves, and three crystalline regions. The crystallization region of 1-(3-nitrophenyl)ethanone was about the same as 1-(4-nitrophenyl)ethanone at all researched temperatures. The NRTL model was used to correlate the solubility of the ternary 1-(3-nitrophenyl)ethanone + 1-(4-nitrophenyl)ethanone + solvents. The correlation results were evaluated by the values of relative average deviation (RAD) and root-mean-square deviation (RMSD), and their values were 4.18 * 10-2 and 3.60 * 10-3, respectively. The calculated results via this model were all acceptable for ternary solid-liquid phase equilibrium. The ternary phase diagram obtained will play an important part in separating the mixture of 1-(3-nitrophenyl)ethanone and 1-(4-nitrophenyl)ethanone.
Compounds
#
Formula
Name
1
C8H7NO3
1-(3-nitrophenyl)ethanone
2
C8H7NO3
1-(4-nitrophenyl)ethanone
3
CH4O
methanol
4
C3H8O
propan-1-ol
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.