(319d) Prediction for Solvent Effect on Crystal Morphology of an Energetic Material by Molecular Modeling

The final performance of high energy density explosives depends on the packing density of molecular explosives and the packing density can be modified by control of morphology of particles during crystallization. In the present study, a cooling method was used for the observation of morphological change of ADNBF(7-amino-4,6-dinitrobenzofuroxane) crystals with various solvents and interaction between ADNBF molecule on crystal surface and solvents used were attempted to interpret by a molecular modeling technique.