A new shock tube study of the H+O2→OH+O reaction rate using tunable diode laser absorption of H2O near 2.5μm

Hong, Zekai; Davidson, David F.; Barbour, Ethan A.; Hanson, Ronald K.

doi:10.1016/j.proci.2010.05.101

Cited by 151 publications

(104 citation statements)

References 29 publications

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“…However, the mechanism [10] still shows discrepencies in predicting the experiments reported in the present work. The other important reaction R3 (H + O 2 = OH + O) was recently studied by Hong et al [23] and recommended a rate constant derived from absorption measurements over a range of 1100-3370 K. This recommendation is used in all the recent kinetic schemes [6,8,10]. This modification improved the capability of these mechanisms which is reported in their respective work.…”

Section: Resultsmentioning

confidence: 99%

Experimental and modeling study of the effect of elevated pressure on lean high-hydrogen syngas flames

Goswami¹,

Griensven²,

Bastiaans³

et al. 2015

Proceedings of the Combustion Institute

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Section: Resultsmentioning

confidence: 99%

Experimental and modeling study of the effect of elevated pressure on lean high-hydrogen syngas flames

Goswami¹,

Griensven²,

Bastiaans³

et al. 2015

Proceedings of the Combustion Institute

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“…Due to its importance, the reaction has been the subject of a large number of studies, both experimental and theoretical. 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27 A large body of information is available on the reaction of H atoms with oxygen molecules in the electronic ground state,…”

Section: Introductionmentioning

confidence: 99%

A Quasiclassical Trajectory Study of the Reaction of H Atoms with O₂(¹Δ_g)

Szabó

Lendvay

2015

J. Phys. Chem. A

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The kinetic and dynamic characteristics of the reaction of H atoms with electronically excited O 2 were studied using the quasiclassical trajectory (QCT) method and the potential energy surface of Li et al. (J. Chem. Phys. 2010, 133, 144306-144314.). The reaction takes place via a deep potential well that can be entered by climbing a barrier in the reactant valley and can be left without a barrier on the product side. In this reaction the basic assumptions of statistical rate theories are not fulfilled: i) 80% of the trajectories cross the barrier region twice and are nonreactive; b) The energy is not equilibrated in the HO 2 potential well. The QCT cross sections agree well with those from the existing exact quantum mechanical data and extend them to vib-rotationally excited reactants. The thermal rate coefficients agree well with measurements of pure reactive quenching of O 2 ( 1 Δ g ) and are 2 lower than those involving both reactive and electronic quenching. The temperature dependence is described as k 2 = 5.81×10 -16 T 1.45 exp(-2270/T) cm 3 molecule -1 s -1 . Based on comparison of the QCT data with the two kinds of experiments we estimate that electronic quenching is faster than reaction by a factor of about 10 at low and 2 at high flame temperatures.

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“…a well-stirred reactor model), see Ref. [6]. The forward rate coefficient of the r-th reaction, k f,r , is calculated using the modified Arrhenius equation: k f,r = A r T mr exp(− Θr T ), r = 1, .…”

Section: Physical Model and Experimental Datamentioning

confidence: 99%

“…, N r = 35, where A r and m r are the pre-exponential Arrhenius parameters and Θ r is the characteristic temperature of the activation energy. We use the detailed chemical kinetic mechanism previously verified in [6] to model the ignition delay of O 2 /H 2 /Ar mixture behind the reflected shock wave. This mechanism considers 35 elementary reactions and 11 species.…”

Section: Physical Model and Experimental Datamentioning

confidence: 99%

“…Experimental data were recently collected at the High Temperature Gasdynamics Laboratory at Stanford University [6]. The data is composed of six profiles of the H 2 O concentration history behind reflected shock waves over the temperature range 1100 -1472 K. All six experimental scnearios have an initial O 2 concentration of 0.001%.…”

Section: Physical Model and Experimental Datamentioning

confidence: 99%

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Bayesian optimal experimental design for the Shock-tube experiment

Terejanu¹,

Bryant²,

Miki³

2013

J. Phys.: Conf. Ser.

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Abstract. The sequential optimal experimental design formulated as an information-theoretic sensitivity analysis is applied to the ignition delay problem using real experimental. The optimal design is obtained by maximizing the statistical dependence between the model parameters and observables, which is quantified in this study using mutual information. This is naturally posed in the Bayesian framework. The study shows that by monitoring the information gain after each measurement update, one can design a stopping criteria for the experimental process which gives a minimal set of experiments to efficiently learn the Arrhenius parameters.

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A new shock tube study of the H+O2→OH+O reaction rate using tunable diode laser absorption of H2O near 2.5μm

Cited by 151 publications

References 29 publications

Experimental and modeling study of the effect of elevated pressure on lean high-hydrogen syngas flames

Experimental and modeling study of the effect of elevated pressure on lean high-hydrogen syngas flames

A Quasiclassical Trajectory Study of the Reaction of H Atoms with O₂(¹Δ_g)

Bayesian optimal experimental design for the Shock-tube experiment

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A new shock tube study of the H+O2→OH+O reaction rate using tunable diode laser absorption of H2O near 2.5μm

Cited by 151 publications

References 29 publications

Experimental and modeling study of the effect of elevated pressure on lean high-hydrogen syngas flames

Experimental and modeling study of the effect of elevated pressure on lean high-hydrogen syngas flames

A Quasiclassical Trajectory Study of the Reaction of H Atoms with O2(1Δg)

Bayesian optimal experimental design for the Shock-tube experiment

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A Quasiclassical Trajectory Study of the Reaction of H Atoms with O₂(¹Δ_g)