The destruction chemistry of organophosphorus compounds in flames—II: structure of a hydrogen–oxygen flame doped with trimethyl phosphate

Kinetic study of the combustion of organophosphorus compounds

“…Addition of trimethylphosphate (TMP) to *Current address: DCPR-CNRS, 1 rue Grandville, 54000 Nancy, France. a H 2 /O 2 flame [14,15] and a CH 4 /O 2 flame [4] was also reported by Korobeinichev et al, with a quantitative determination of the final phosphorus species [4,15,16].…”

Chemical Transformations in Inhibited Flames over Range of Stoichiometry

“…The singularity of the phenomenon consisted in the following. A decrease in the width of the flame zone and a rise in the flame temperature occurred simultaneously with a decrease of radicals concentration in the flame (Korobeinichev et al, 1999b(Korobeinichev et al, , 2001. Later it was shown that the promotion effectiveness for a stoichiometric flame at 47 Torr increases with OPCs loading and riches its maximum at concentration of 0.6% by volume (Korobeinichev et al, 2001).…”

“…Of these reactions, 23 belong to the hydrogen oxidation mechanism. This set of reactions was successfully used in modelling the structure of a stoichiometric hydrogen-oxygen flame stabilized over a flat burner at a pressure of 47 Torr (Korobeinichev et al, 1999a(Korobeinichev et al, , 1999b(Korobeinichev et al, , 2000 and of lean methane-oxygen flame stabilized at 76 Torr (Korobeinichev et al, 1999c(Korobeinichev et al, , 2001. The structure and laminar flame speed of methane-oxygen flames at atmospheric pressure was calculated using the GRI 3.0 mechanism (Smith et al, 1999), a more complex kinetic mechanism composed of 325 reactions involving 53 species.…”

“…The structure of hydrogen-oxygen flames seeded with trimethylphosphate (TMP) and Dimethylmethylphosphonate (DMMP) was determined using a kinetic model of OPCs destruction in flames involved 35 steps. This model was initially developed on the basis of experimental data on the structure of flames seeded with DMMP (Werner & Cool, 1999;Korobeinichev et al, 1996), thermochemical data obtained by Melius, and the mechanism proposed by Twarowski (Twarowski, 1993a(Twarowski, , 1993b(Twarowski, , 1995; it was tested by comparing the experimental and theoretical results on the structure of H 2 -O 2 -Ar flames seeded with TMP and DMMP (Korobeinichev et al, 1999b(Korobeinichev et al, , 2000(Korobeinichev et al, , 2001) at a pressure of 47 Torr and methane-oxygen flames seeded with TMP at 76 Torr (Korobeinichev et al, 2001). This model includes the mechanism developed by Twarowski (Twarowski, 1993a(Twarowski, , 1993b(Twarowski, , 1995 with modified rate constants from (Korobeinichev et al, 2000).…”

“…These reactions are given in Table 1. 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.…”