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Author(s):   Giesen, A.; Herzler, J.; Roth, P.
Title:   High Temperature Oxidation of Iron Atoms by CO2
Journal:   Phys. Chem. Chem. Phys.
Volume:   4
Page(s):   3665 - 3668
Year:   2002
Reference type:   Journal article
Squib:   2002GIE/HER3665-3668

Reaction:   CO2 + FeCO + FeO
Reaction order:   2
Temperature:   1330 - 2650 K
Pressure:  1.00 - 1.60 bar
Rate expression:   5.38x10-10 [±1.25x10-10 cm3/molecule s] e-124717 [±3326 J/mole]/RT
Uncertainty:   1.3
Bath gas:   Ar
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Vis-UV absorption
Comments:   Fe atoms produced in shock tube from decompostion of Fe(CO)5. Resonance absorption was used to detect Fe, O, and CO at 371.99, 151, and 130.5 nm respectively. Bath gas argon. Typically 1250-3750 ppm CO2 and about 2 ppm Fe(CO)5.

Measured Ea from Fe + CO2 -> FeO + CO of about 125(3.3) kJ/mol is very close (within expt error) to the experimental heat of reaction of about 119(23) kJ/mol. FOr the FeO + CO2 -> FeO2 + CO, this is a secondary reaction used to fit data in modeling. Authors indicate it is more of a fit than a elementary reaction. Fitted Ea for this secondary reaction is about 192(14) kJ/mol significantly larger than expt derived heat of reaction of about 112(62) kJ/mol. A preexponential factor of about 4E15 cm3/mole/s is somewhat higher than might be expected for this reaction.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1330 6.80E-15
1400 1.20E-14
1500 2.44E-14
1600 4.56E-14
1700 7.92E-14
1800 1.29E-13
1900 2.01E-13
2000 2.98E-13
2100 4.25E-13
2200 5.88E-13
2300 7.91E-13
2400 1.04E-12
2500 1.33E-12
2600 1.68E-12
2650 1.87E-12