Yetter, R.A., Rabitz, H., Dryer, F.L., Maki, R.G., and Klemm, R.B. (1989)
Evaluation of the Rate Constant for the Reaction OH + H2CO: Application of Modeling and
Sensitivity Analysis Techniques for Determination of the Product Branching Ratio
J. Chem. Phys. 1989, 91, 4088.
Abstract
Novel modeling and sensitivity analysis techniques are used with experimental
data obtained from discharge flow-resonance fluorescence experiments to evaluate
the product branching ratio of OH + H2CO. Two channels are considered: the H-atom
abstraction reaction to form HCO and H2O; and the addition reaction followed by
rearrangement and decomposition to form HCOOH and H. The rate constant values
obtained at 298 K are k(101)=(7.75±1.24)E-12 cm3/molecule s and
k(A)=(0.2+0.8/-0.2)E-12 cm3/molecule s. The results demonstrate that the
reaction proceeds almost exclusively via the H-atom abstraction pathway.
REACTION RATE COEFFICIENTS SUGGESTED IN THIS WORK:
GRI-Mech
Number
('-' sign
means
reverse) |
Reaction |
Rate Coefficient
A T^n exp(-E/RT) |
Temperature
Range
(K) |
A
(mol,cm3,s) |
n
(T in K) |
E
(cal/mol) |
| 55 |
H + HCO -> H2 + CO |
3.0E+13 |
|
|
298 |
| 100 |
OH + HCO -> H2O + CO |
3.0E+13 |
|
|
298 |
| 101 |
OH + CH2O -> HCO + H2O |
4.67E+12 |
|
|
298 |
| A |
OH + CH2O -> H + HCOOH |
1.2E+11 |
|
|
298 |