Remaining uncertainties in the kinetic mechanism of hydrogen combustion

Konnov, Alexander A.

doi:10.1016/j.combustflame.2007.10.024

Cited by 288 publications

(309 citation statements)

References 104 publications

(341 reference statements)

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“…Therefore, the H 2 /O 2 branch of the mechanism by Li et al [9] is replaced with the more recent, high-pressure kinetic scheme by Burke et al [10]. Along with lean mixtures the mechanism of Goswami et al [8] was validated for stoichiometric and rich mixtures and is originally based on the mechanism of Konnov [17]. GRI Mech 3.0 is a mechanism for natural gas combustion including NO formation and reburn chemistry.…”

Section: Kinetic Modelingmentioning

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: Kinetic Modelingmentioning

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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“…In these tables, the rate parameters were always given for the forward reaction and a note indicated if the parameters had been calculated from the data of the backward reaction. In this latter case, we also estimated the increase of the uncertainty using equation (9). In all cases we found that for the species of the hydrogen and syngas combustion systems the uncertainty of the thermodynamic data is low, therefore the uncertainty of the backward reaction can be considered to be equal to the uncertainty of the forward reaction.…”

Section: Protocol For Data Collection and Evaluationmentioning

confidence: 93%

“…[48], Konnov [9], Hong et al [49] , Burke et al [50], and Kéromnès et al [47] . Several of these reviews (Konnov [9], Hong et al [49] and Burke et al [50]) also contain a detailed discussion about the experimental and theoretical determinations of the rate coefficient values.…”

Section: Protocol For Data Collection and Evaluationmentioning

confidence: 99%

“…A large amount of experimental data is available for both the forward and backward directions. The rate coefficient is known with low uncertainty: Baulch et al [8] and Konnov [9] …”

Section: Reaction R1: H + O2 = O + Ohmentioning

confidence: 99%

“…[3][4][5]), ) and the review of Konnov [9]. The uncertainty parameter f, which is generally a temperature-dependent value, is defined in the following way: ( 1) where k 0 is the recommended value of the rate coefficient, kmin and kmax are the extreme, but still not excludable, physically realistic values.…”

Section: Introductionmentioning

confidence: 99%

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Uncertainty of the rate parameters of several important elementary reactions of the H2 and syngas combustion systems

Nagy

Valkó

Sedyó

et al. 2015

Combustion and Flame

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Re-evaluation of the temperature-dependent uncertainty parameter f(T) of elementary reactions isproposed by considering all available direct measurements and theoretical calculations. A procedure is presented for making f(T) consistent with the form of the recommended Arrhenius expression. The corresponding uncertainty domain of the transformed Arrhenius parameters (ln A, n, E/R) is convex and centrally symmetric around the mean parameter set. The f(T) function can be stored efficiently using the covariance matrix of the transformed Arrhenius parameters.The calculation of the uncertainty of a backward rate coefficient from the uncertainty of the forward rate coefficient and thermodynamic data is discussed. For many rate coefficients, a large number of experimental and theoretical determinations are available, and a normal distribution can be assumed for the uncertainty of ln k. If little information is available for the rate coefficient, equal probability of the transformed Arrhenius parameters within their domain of uncertainty (i.e. uniform distribution) can be assumed. Algorithms are provided for sampling the transformed Arrhenius parameters with either normal or uniform distributions. A suite of computer codes is presented that allows the straightforward application of these methods. For 22 important elementary reactions of the H2 and syngas (wet CO) combustion systems, the Arrhenius parameters and 3 rd body collision efficiencies were collected from experimental, theoretical and review publications. For each elementary reaction, kmin and kmax limits were determined at several temperatures within a defined range of temperature. These rate coefficient limits were used to obtain a consistent uncertainty function f(T) and to calculate the covariance matrix of the transformed Arrhenius parameters.2

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