Interpretation of the slow reaction and second limit of hydrogen oxygen mixtures by computer methods

Abstract

Computer programmes have been developed which calculate the reaction rate and second limit of H₂+O₂+N₂ mixtures for a given set of velocity constant ratios. By coupling these to an optimization programme, a limited number of ratios can be adjusted to give minmum deviation between observed and calculated rates or limits. A more elaborate programme for reaction rate allows for consumption of reactants and permits the maximum reaction rate to be calculated. The use of these programmes both to establish a detailed mechanism and to obtain some velocity constant ratios over the temperature range 470–530°C is described. The best available values for the Arrhenius parameters of the reactions involved are summarized.