Characterization of electrically controlled solid propellants and calculation of hydrogen bond interaction

The preparation, microstructure, and synchronous thermal analysis tests of hydroxylamine nitrate (HAN) based electrically controlled solid propellants were carried out. The results showed that the exothermic peak was delayed compared to the thermal analysis test of the HAN solution. By using the density functional theory (DFT) method to study hydrogen bonding interactions in electrically controlled solid propellants, geometric optimization of molecular configurations of electrically controlled solid propellants was carried out, and six stable configurations were obtained. The interaction energy of each configuration was calculated, and the stability ranking of each configuration was obtained; The calculation of electrophilic sites was carried out, and the results showed that hydrogen bonds of each configuration were formed at high electrophilic sites; Natural Bond Orbital (NBO) analysis was conducted, and the results showed that strong hydrogen bonds can be formed between the molecules of electrically controlled solid propellants, which may delay their exothermic peaks.