Kinetic study of the combustion of organophosphorus compounds

Engineering Design Software for Military Incinerators

“…stirred reactor flame that lies between extinction and equilibrium conditions. Similar conclusions were reached by Glaude et al (2000) from simulations of premixed flames to which DMMP was added. Twarowski (1995) suggested adding phosphorus to rocket propellants to lessen dissociation losses and improve performance.…”

Chemical Transformations in Inhibited Flames over Range of Stoichiometry

“…Later, the model was refined by altering the rate constants of six key steps and was successfully applied to calculating the structure of flames at atmospheric pressure. The enthalpies of formation of phosphorus oxyacids were calculated by various quantum-chemical methods (Glaude et al, 2000;Mackie et al, 2002;Korobeinichev et al, 2005). At the same time, the enthalpies of formation of some activated complexes were calculated by varying their structures (intermediate states) for different pathways of the key reactions.…”

“…It should be noted that in methane-air and propane-air flames, the flame speed was most significantly affected by the atom and radical recombination reactions involving phosphorus oxyacids, which proceed in the high-temperature flame zone (Korobeinichev et al, 1999b). Because the rate constants of the stages presented in Table 1 have previously been estimated only approximately (Glaude et al, 2000), we changed the pre-exponential factors of their rate constants as is shown in Table 1 in order to obtain agreement between the calculated and measured speeds of TMPdoped flames.…”

Chemically Enhanced Water Mists for Fire Suppression

“…One mechanism (Wainner et al, 2000) indicates that the addition of 250 ppm of DMMP had no significant effect on the strain rate at extinction. The other mechanism (Glaude et al, 2000) shows a reduction in extinction strain rate of about 1.5%, while 7% was observed experimentally. These severe underpredictions were seen for all the compounds for which calculations could be performed.…”

“…Phosphorus combustion mechanisms developed by Glaude and coworkers (Glaude et al, 2000) and Babushok and coworkers (Babushok, 2001;Wainner et al, 2000) were used. In these calculations, the phosphorus additives were treated as gas-phase compounds, and no droplet or particle effects were modeled.…”