Abstract
New rate constant determinations for the reactions (1), (2), (3) were made at 1000 K by fitting species profiles from high-pressure flow reactor on moist CO oxidation perturbed with methane. The experiments were selected to minimize the uncertainty in the rate constant determinations. This uncertainty was estimated using model sensitivity coefficients, derived for time-shifted flow reactor experiments. The model sensitivity analysis was also used to characterize the mechanistic dependence on the new rate constant values. Linear sensitivities of the fitted rate constants to the unfitted values are given. Singular value decomposition was used to determine which of these four could affect the fitted rates without changing the fit norm.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 75-100 |
| Number of pages | 26 |
| Journal | International Journal of Chemical Kinetics |
| Volume | 33 |
| Issue number | 2 |
| DOIs | |
| State | Published - Feb 1 2001 |
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All Science Journal Classification (ASJC) codes
- Biochemistry
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry
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Flow reactor studies of methyl radical oxidation reactions in methane-perturbed moist carbon monoxide oxidation at high pressure with model sensitivity analysis. / Scire, James J.; Yetter, Richard A.; Dryer, Frederick L.
In: International Journal of Chemical Kinetics, Vol. 33, No. 2, 01.02.2001, p. 75-100.Research output: Contribution to journal › Article
TY - JOUR
T1 - Flow reactor studies of methyl radical oxidation reactions in methane-perturbed moist carbon monoxide oxidation at high pressure with model sensitivity analysis
AU - Scire, James J.
AU - Yetter, Richard A.
AU - Dryer, Frederick L.
PY - 2001/2/1
Y1 - 2001/2/1
N2 - New rate constant determinations for the reactions (1), (2), (3) were made at 1000 K by fitting species profiles from high-pressure flow reactor on moist CO oxidation perturbed with methane. The experiments were selected to minimize the uncertainty in the rate constant determinations. This uncertainty was estimated using model sensitivity coefficients, derived for time-shifted flow reactor experiments. The model sensitivity analysis was also used to characterize the mechanistic dependence on the new rate constant values. Linear sensitivities of the fitted rate constants to the unfitted values are given. Singular value decomposition was used to determine which of these four could affect the fitted rates without changing the fit norm.
AB - New rate constant determinations for the reactions (1), (2), (3) were made at 1000 K by fitting species profiles from high-pressure flow reactor on moist CO oxidation perturbed with methane. The experiments were selected to minimize the uncertainty in the rate constant determinations. This uncertainty was estimated using model sensitivity coefficients, derived for time-shifted flow reactor experiments. The model sensitivity analysis was also used to characterize the mechanistic dependence on the new rate constant values. Linear sensitivities of the fitted rate constants to the unfitted values are given. Singular value decomposition was used to determine which of these four could affect the fitted rates without changing the fit norm.
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U2 - 10.1002/1097-4601(200102)33:2<75::AID-KIN1000>3.0.CO;2-9
DO - 10.1002/1097-4601(200102)33:2<75::AID-KIN1000>3.0.CO;2-9
M3 - Article
AN - SCOPUS:0035252519
VL - 33
SP - 75
EP - 100
JO - International Journal of Chemical Kinetics
JF - International Journal of Chemical Kinetics
SN - 0538-8066
IS - 2
ER -