COMPUTER-SIMULATIONS OF THE LOW-TEMPERATURE OXIDATION OF FORMALDEHYDEIN OXYGEN-POOR MIXTURES

This paper describes computer simulations of experiments on the low te mperature oxidation of formaldehyde (from 643 to 705 K) for oxygen-poo r mixtures. The reaction rate changes abruptly when the oxygen is comp letely consumed. A mechanism that explains this phenomenon and models the low temperature oxidation of formaldehyde is presented. In the pre sence of oxygen, the formaldehyde is consumed according to a degenerat e branched chain reaction involving HO2 radicals and H2O2; once the ox ygen is consumed, the reaction proceeds via a mechanism of linear chai ns initiated by the decomposition of H2O2. From the proposed mechanism , simulated curves (product evolution, pressure change and temperature ) have been obtained in good agreement with experimental curves, for d ifferent temperatures and equivalence ratios.