Pyrolysis of 2,2-Dinitropropane
J. Phys. Chem. A, Vol. 104, No. 6, 2000 1225
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simulations with the reduced mechanism indicated that indeed
the temporal profiles of the “observed” species agree with those
generated from the full mechanism to within 5%. The frag-
mentation and reaction sequence based on the simplified
mechanism is presented graphically in Figure 9. Note the critical
roles of H, OH, NO2, HNO, HCO, and (CH3)2CNO2 in the
overall conversion. It should be noted that although the
simulations based on the proposed mechanism reproduce the
experimentally analytical values very well, some uncertainties
remain. The rate constants for a number of important steps in
the mechanism need to be confirmed experimentally. However,
we believe that the principal features of the pyrolysis of 2,2-
dinitropropane over the temperature range 970-1200 K have
been presented.
Acknowledgment. This work was supported by the Army
Research Office under Grant NO. DAAH04-95-1-0130. We
thank Professor Peter Jeffers of SUNY at Cortland for help
with the identification of some of the pyrolysis products through
GC/MS.
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