Crystallization thermodynamics of 2,4(5)-dinitroimidazole in binary solvents

Abstract

2,4(5)-Dinitroimidazole (2,4(5)-DNI) is an important organic intermediate, and itself can also be used for energetic material. In this work, the solubility of 2,4(5)-DNI in (methanol + water, acetonitrile + water, acetone + water) binary solvents were measured by using a dynamic test method from 278.15 K to 323.15 K under 101.1 kPa. The Jouyban–Acree model, van’t Hoff–Jouyban–Acree model, Apelblat–Jouyban–Acree model, Ma model, and Sun model were used to correlate the experimental data. The values of relative average deviation (RAD) and root-mean-square deviation (RMSD) were very small, indicating that the error between the experimental value and the correlated value was very small. The thermodynamic parameters such as dissolution enthalpy, dissolution entropy and Gibbs energy were calculated based on solubility data. High-purity of 2,4(5)-DNI was efficiently obtained by using cooling and dilution crystallization method.