Solubility, correlation, Hansen solubility parameter and thermodynamic analysis of 2,4-dinitroanisole in three binary mixed solvents

Melt cast explosive is the most widely used type of military explosives. Then 2,4-dinitroanisole (DNAN) is a liquid phase carrier of melt cast explosives, and it is the most promising substitute for TNT. In this study, the solubility of DNAN in three binary mixed solvents (MeOH + water, EtOH + water, i-PrOH + water) at the temperature range of 298.15 similar to 333.15 K at atmospheric pressure (0.1 MPa) was measured by laser dynamic method. The experimental results show that the solubility of DNAN increase with increasing temperature and the fraction of the organic solvents. In order to expand the applicability of solubility, Apelblat equation, van't Hoff equation, lambda h equation and modified Jouyban-Acree model were used to correlate the solubility, and satisfactory results were obtained. The Apelblat equation have best correlation with the solubility data of DNAN. The solubility parameters of DNAN and binary mixed solvents were calculated through Hansen solubility parameter and Materials Studio. The solubility of DNAN in three binary mixed solvents show a regular pattern of i-PrOH + H2O > EtOH + H2O > MeOH + H2O. The above pattern is consistent with the solubility parameters prediction results and prove that the solubility data is true and effective. In addition, according to the experimental data, the standard solubility enthalpy Delta H-dis degrees degree, standard entropy Delta S-dis degrees degree, standard Gibbs free energy Delta G(dis)degrees, the enthalpy %xi H and the entropy %xi S were calculated and discussed.