Evaluation of the rate constant for the reaction OH+H2CO: Application of modeling and sensitivity analysis techniques for determination of the product branching ratio

Richard A. Yetter; Herschel Rabitz; Frederick L. Dryer; Robert G. Maki; R. Bruce Klemm

doi:10.1063/1.456838

Evaluation of the rate constant for the reaction OH+H₂CO: Application of modeling and sensitivity analysis techniques for determination of the product branching ratio

Richard A. Yetter
, Herschel Rabitz
, Frederick L. Dryer
, Robert G. Maki
, R. Bruce Klemm

Research output: Contribution to journal › Review article › peer-review

49 Scopus citations

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 (R2) to form HCO and H₂O; and the addition reaction (R17) followed by rearrangement and decomposition to form HCOOH and H. The rate constant values obtained at 298 K are k_R2 = (7.75 ± 1.24) × 10^-12 cm ³/molecule s and k_R17 = (0.2_-0.2 ^+0.8) × 10^-12 cm³/molecule s. The results demonstrate that the reaction proceeds almost exclusively via the H-atom abstraction pathway.

Original language	English (US)
Pages (from-to)	4088-4097
Number of pages	10
Journal	The Journal of chemical physics
Volume	91
Issue number	7
DOIs	https://doi.org/10.1063/1.456838
State	Published - 1989

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.456838

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@article{067c50b309984d1bb55c4a71a528029a,

title = "Evaluation of the rate constant for the reaction OH+H2CO: Application of modeling and sensitivity analysis techniques for determination of the product branching ratio",

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 (R2) to form HCO and H2O; and the addition reaction (R17) followed by rearrangement and decomposition to form HCOOH and H. The rate constant values obtained at 298 K are kR2 = (7.75 ± 1.24) × 10-12 cm 3/molecule s and kR17 = (0.2-0.2 +0.8) × 10-12 cm3/molecule s. The results demonstrate that the reaction proceeds almost exclusively via the H-atom abstraction pathway.",

author = "Yetter, \{Richard A.\} and Herschel Rabitz and Dryer, \{Frederick L.\} and Maki, \{Robert G.\} and \{Bruce Klemm\}, R.",

year = "1989",

doi = "10.1063/1.456838",

language = "English (US)",

volume = "91",

pages = "4088--4097",

journal = "The Journal of chemical physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "7",

}

Evaluation of the rate constant for the reaction OH+H₂CO: Application of modeling and sensitivity analysis techniques for determination of the product branching ratio. / Yetter, Richard A.; Rabitz, Herschel; Dryer, Frederick L. et al.
In: The Journal of chemical physics, Vol. 91, No. 7, 1989, p. 4088-4097.

Research output: Contribution to journal › Review article › peer-review

TY - JOUR

T1 - Evaluation of the rate constant for the reaction OH+H2CO

T2 - Application of modeling and sensitivity analysis techniques for determination of the product branching ratio

AU - Yetter, Richard A.

AU - Rabitz, Herschel

AU - Dryer, Frederick L.

AU - Maki, Robert G.

AU - Bruce Klemm, R.

PY - 1989

Y1 - 1989

N2 - 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 (R2) to form HCO and H2O; and the addition reaction (R17) followed by rearrangement and decomposition to form HCOOH and H. The rate constant values obtained at 298 K are kR2 = (7.75 ± 1.24) × 10-12 cm 3/molecule s and kR17 = (0.2-0.2 +0.8) × 10-12 cm3/molecule s. The results demonstrate that the reaction proceeds almost exclusively via the H-atom abstraction pathway.

AB - 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 (R2) to form HCO and H2O; and the addition reaction (R17) followed by rearrangement and decomposition to form HCOOH and H. The rate constant values obtained at 298 K are kR2 = (7.75 ± 1.24) × 10-12 cm 3/molecule s and kR17 = (0.2-0.2 +0.8) × 10-12 cm3/molecule s. The results demonstrate that the reaction proceeds almost exclusively via the H-atom abstraction pathway.

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U2 - 10.1063/1.456838

DO - 10.1063/1.456838

M3 - Review article

AN - SCOPUS:0001160796

SN - 0021-9606

VL - 91

SP - 4088

EP - 4097

JO - The Journal of chemical physics

JF - The Journal of chemical physics

IS - 7

ER -

Evaluation of the rate constant for the reaction OH+H₂CO: Application of modeling and sensitivity analysis techniques for determination of the product branching ratio

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