About correlation dependence of parameters of burning of reactive fuels with an electronic charge on oxygen atom of oxygen-containing oxidizers.MNDO method

摘要

The calculation of typical oxygen-containing oxidizers of rocket fuels OF_2,O_2,ClO_3f,H_2O_2,N_2O_4,HNO_3 has been carried out by quantum chemical semi-empirical MNDO method in Dewar and Teel parametrization with minimization of total energy of molecular system by the Davidon-Fletcher-Powell method.The optimized electronic and gemoetric structure of thses oxidizers has been investigated.It is established that correlative dependencies having rather high coefficient of correlation exist between some parameters of reactive fuels (H_2,N_2H_4,H_2N_2(CH_3)_2,-CH_1-,AlH_3,B_5H_9,BeH_2):I_p is specific impulse of pressure;P_1 is specific traction;P_i~(infinity) is specific traction in vacuum;T_c is combustor temperature;T_e is combustor-exit temperature;#DELTA#V is increment of ideal velocity of flight and other with qo~(min) is minimum electronic charge on oxygen atom of oxygen-containing oxidizers calculated by the MNDO method.