Measurement and correlation of solubility of HNIW·TNT co-crystal in (methanol/1,2-dichloroethane + ethyl acetate) solvent mixtures from 283.15 to 318.15 K

Phase Equilibrium and Thermodynamics Studies on Dissolving Processes of Energetic Compounds: A Brief Review

“…Note that this sequence is not consistent with the polarity of solvents, suggesting that other factors, such as the solute–solvent interactions, the solvent–solvent interactions, the molecular structure and functional groups, also contributed . Calculation results of thermodynamic parameters of HNIW/TNT cocrystal in these nine solvents show that the enthalpy is the main contributing force, and the dissolution of HNIW/TNT cocrystal in these pure solvents is endothermic and nonspontaneous, except for an exothermic process confirmed by a DC08-1 Calvet microcalorimeter in DMF and DMSO . The solubility and thermodynamic parameters of HNIW/TNT cocrystals in methanol/EA and 1,2-dichloroethane/EA binary systems have been measured, and it shows a positive dependence on the temperature and the mole fraction of EA.…”

“…Kou’s research group has systematically studied the dissolution thermodynamic of a 1:1 HNIW/TNT cocrystal, − including the solubility data measurement in nine pure organic solvents and two kinds of EA-based binary solvents via the gravimetric method, dissolution behaviors in DMF and DMSO, ternary phase diagrams constructed in ACN and EA, and thermodynamic parameters calculated by different models. In order to select appropriate experimental conditions to synthesize cocrystals, shown in Figure a–c, the ternary phase diagrams for HNIW and TNT in ACN and EA at 298 and 308 K have been investigated …”

“…119 Calculation results of thermodynamic parameters of HNIW/ TNT cocrystal in these nine solvents show that the enthalpy is the main contributing force, and the dissolution of HNIW/ TNT cocrystal in these pure solvents is endothermic and nonspontaneous, 119 except for an exothermic process confirmed by a DC08-1 Calvet microcalorimeter in DMF and DMSO. 120 The solubility and thermodynamic parameters of HNIW/TNT cocrystals in methanol/EA and 1,2-dichloroethane/EA binary systems have been measured, 120 and it shows a positive dependence on the temperature and the mole fraction of EA. In addition, the solid−liquid ternary phase diagrams of 2HNIW/HMX cocrystal has also been investigated in detail, 121 based on which successful preparation of 2HNIW/HMX cocrystals was achieved via an isothermal slurry conversion crystallization method.…”