Effect of Electronic Charge on Oxygen Atom of Oxygen-Containing Oxidizers on Characteristics of Reactive Rocket Fuels

Abstract The calculations of typical oxygen-containing oxidizers of rocket fuels OF2, O2, ClO3F, H2O2, N2O 4, HNO3, were carried out by quantum chemical semi-empirical MNDO method in Dewar and Teel parameterization with minimization of total energy of molecular system by Davidon-Fletcher-Powell method. The optimized electronic and geometric structure of these oxidizers was obtained. We established correlative dependencies between some parameters of the following reactive fuels (H2, N2H4, N2 H2(cH3)2 ∼CH2∼, Al H3, B5H9, Be H2): and minimum electronic charge on oxygen atom qomin of oxygencontaining oxidizers. The latter being calculated by the MNDO method.