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

The calculations of typical oxygen-containing oxidizers of rocket fuels OF 2 , O 2 , ClO 3 F, H 2 O 2 , N 2O 4 , HNO 3 , 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 (H 2 , N 2 H 4 , N 2 H 2 (cH 3 ) 2 ∼CH 2 ∼, Al H 3 , B 5 H 9 , Be H 2 ): and minimum electronic charge on oxygen atom qo min of oxygencontaining oxidizers. The latter being calculated by the MNDO method.