Effect of Electronic Charge on Oxygen Atom of Oxygen-Containing Oxidizers on Characteristics of Reactive Rocket Fuels
Titel:
Effect of Electronic Charge on Oxygen Atom of Oxygen-Containing Oxidizers on Characteristics of Reactive Rocket Fuels
Auteur:
Babkin, V. A. Minsker, K. S. Petrukhijn, S. V. Babkina, O. V. Belorusov, A. S. Prochukhan, D. Yu. Pimenov, D. G. Scherbakov, I. V. Bikadorov, A. V. Ponomarev, O. A. Sangalov, Yu. A. Scherbakov, I. V. Zaikov, G. E.
Verschenen in:
International journal of polymeric materials
Paginering:
Jaargang 47 (2000) nr. 2-3 pagina's 329-342
Jaar:
2000-09-01
Inhoud:
The calculations of typical oxygen-containing oxidizers of rocket fuels OF2, O2, ClO3F, H2O2, N2O4, 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.