Solution chemistry and phase solubility diagrams of CL-20/MTNP energetic cocrystals

Abstract

The solubility behavior and solution chemistry of CL-20/MTNP (2,4,6,8,10,12-hexanitro-hexaaza-isowurtzitane/1-methyl-3,4,5-trinitropyrazole) energetic cocrystals in organic solvents were first investigated to offer some important information on thermodynamics. The phase solubility diagram (PSD) and eutectic point (K_eu1) of three solvents were also determined. Moreover, the solubility behavior of CL-20/MTNP energetic cocrystals was explained using the solubility product and solution complexation theories. The solution complexation results indicated that the CL-20/MTNP cocrystal has the strongest complexation effect in ethanol. The K_eu1 values were all below 1 in three studied solvents, suggesting that the CL-20/MTNP cocrystal was less soluble than the other two pure components. Furthermore, studying the solubility behavior and solution chemistry of the CL-20/MTNP cocrystals has provided further insights into the screening, preparation and scaling-up of energetic cocrystals.