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Author(s):   Dharmarathne, N.K.; Mackie, J.C.; Kennedy, E.M.; Stockenhuber, M.
Title:   Mechanism and Rate of Thermal Decomposition of Hexachlorocyclopentadiene and Its Importance in PCDD/F Formation from the Combustion of Cyclodiene Pesticides
Journal:   J. Phys. Chem. A
Volume:   121
Page(s):   5871 - 5883
Year:   2017
Reference type:   Journal article
Squib:   2017DHA/MAC5871-5883

Reaction:   O2 + CCl2=CCl → COCl2 + CO + ·Cl
Reaction order:   2
Temperature:   690 - 923 K
Pressure:  1.01 bar
Rate expression:   1.16x10-10 [cm3/molecule s] e-105000 [J/mole]/RT
Category:  Experiment
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   GC-MS
Comments:   GC/MS and FTIR spectroscopy were used to analyze the components of the reactive mixture.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
690 1.31E-18
700 1.70E-18
725 3.17E-18
750 5.66E-18
775 9.74E-18
800 1.62E-17
825 2.61E-17
850 4.10E-17
875 6.27E-17
900 9.36E-17
923 1.33E-16