Propellant Gas Phase Chemical Kinetics

Abstract

An adiabatic constant pressure chemical kinetic study of the AP gas phase is conducted. The objective is to examine the importance of chemical kinetic studies for propellant deflagration modelling in general and for AP in particular. A reaction mechanism consisting of ninety five elementary reactions involving twenty one chemical species is developed to represent the AP gas phase. An important parameter that can be obtained from the kinetics is the time rate of change of temperature of the gas phase at the condensed phase-gas phase boundary (dT/dt at t = 0). This is directly related to the heat feedback from the gas phase to the condensed phase. Comparison with earlier work indicates that the use of a one-step overall reaction could lead to underestimates of heat feedback from the gas phase by a factor of about four. In addition it is found that the rate of decrease of dT/dt at t = 0, with pressure is much larger at lower pressures, suggesting a possible gas phase role in the low pressure deflagration limit. Further, the kinetic study does not support the conclusion of a constant fraction of AP reacting in the condensed phase in the pressure range 20–100 atmospheres. These results are at variance with what is obtained by use of a one-step overall reaction. Thus, the one-step overall reaction cannot represent even qualitatively several gas phase characteristics important for deflagration studies, and its use leads to erroneous results. It is concluded that a full reaction mechanism representation of gas phase chemical kinetics is essential to AP deflagration modelling. The same conclusion is probably valid for propellant deflagration modelling in general.