Uncertainty of Arrhenius parameters

Nagy, Tibor; Turányi, Tamás

doi:10.1002/kin.20551

Cited by 107 publications

(84 citation statements)

References 33 publications

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“…The following relation was deduced [10] between the variance of   T  and the elements of the covariance matrix of the Arrhenius parameters:…”

Section: Efficient Storage Of the Uncertainty Domainmentioning

confidence: 99%

“…A method was proposed [10] for the determination of the covariance matrix of the Arrhenius parameters using equations (6) and (7) from uncertainty parameter f of the rate coefficient at various temperatures. To determine the elements of the covariance matrix for the three-parameter Arrhenius expression, the uncertainty of the rate coefficient has to be known at least at six different temperatures.…”

Section: Efficient Storage Of the Uncertainty Domainmentioning

confidence: 99%

“…To determine the elements of the covariance matrix for the three-parameter Arrhenius expression, the uncertainty of the rate coefficient has to be known at least at six different temperatures. In the (α,ε) and (α,n) two-parameter cases, the uncertainty of the corresponding Arrhenius parameters can be handled in a similar way and the uncertainty of the rate coefficient has to be known at least at three temperatures [10].…”

Section: Efficient Storage Of the Uncertainty Domainmentioning

confidence: 99%

“…[10] and [11]. A method was provided for determining the covariance matrix of the transformed Arrhenius parameters (ln A, n, E/R) and a continuous uncertainty function f(T) from the uncertainty information given in the databases.…”

Section: Introductionmentioning

confidence: 99%

“…A method was provided for determining the covariance matrix of the transformed Arrhenius parameters (ln A, n, E/R) and a continuous uncertainty function f(T) from the uncertainty information given in the databases. This covariance matrix allowed the definition of a multivariate normal distribution and the determination of the uncertainty domain for the transformed Arrhenius parameters [10].…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

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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“…The following relation was deduced [10] between the variance of   T  and the elements of the covariance matrix of the Arrhenius parameters:…”

Section: Efficient Storage Of the Uncertainty Domainmentioning

confidence: 99%

Section: Efficient Storage Of the Uncertainty Domainmentioning

confidence: 99%

Section: Efficient Storage Of the Uncertainty Domainmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%