An optimized kinetic model of H2/CO combustion

Davis, Scott; Joshi, Ameya; Wang, Shuangfeng; Egolfopoulos, Fokion N.

doi:10.1016/j.proci.2004.08.252

Cited by 636 publications

(402 citation statements)

References 49 publications

Supporting

Mentioning

386

Contrasting

Unclassified

Order By: Relevance

“…The reason for the disparity of GRI Mech 3.0 in this case is obvious since the optimization of this mechanism was specifically done for natural gas mixtures and not syngas mixtures. A kinetic study by Burke et al [5] also demonstrated the substantial impact of H 2 /O 2 subset of GRI Mech 3.0 when compared to the subset provided by Davis et al [18] for predictions at elevated pressures.…”

Section: Resultsmentioning

confidence: 93%

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

View full text Add to dashboard Cite

Section: Resultsmentioning

confidence: 93%

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

View full text Add to dashboard Cite

“…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. For the reactions of the carbon-containing species, the following review and modelling articles were considered: Mueller et al [51], Davies et al [15], Li et al [52] , Sun et al [53] and Kéromnès et al [47].…”

Section: Protocol For Data Collection and Evaluationmentioning

confidence: 99%

“…Kéromnès et al [47] and Davies et al [15] suggested a double Arrhenius expression, while Sun et al [53] recommended a triple Arrhenius expression. The reaction is pressure dependent at low temperature, whereas at combustion temperatures it is pressure independent.…”

Section: Reaction R14: H2o2 + H = H2o + Ohmentioning

confidence: 99%

See 1 more Smart Citation

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

View full text Add to dashboard Cite

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

show abstract

“…Below, we test the performance of recent kinetic models [44][45][46][47][48][49] for flame conditions relevant to syngas applications. We present flow-corrected burning rates of H 2 /CO/O 2 /diluent flames over wide ranges of equivalence ratios, pressures, flame temperatures, and CO and CO 2 concentrations.…”

Section: Mass Burning Rate Measurements and Kinetic Analysis Of H 2 /mentioning

confidence: 99%

Reduced and Validated Kinetic Mechanisms for Hydrogen-CO-sir Combustion in Gas Turbines

Ju¹,

Dryer²

2009

View full text Add to dashboard Cite

Rigorous experimental, theoretical, and numerical investigation of various issues relevant to the development of reduced, validated kinetic mechanisms for synthetic gas combustion in gas turbines was carried out -including the construction of new radiation models for combusting flows, improvement of flame speed measurement techniques, measurements and chemical kinetic analysis of H 2 /CO/CO 2 /O 2 /diluent mixtures, revision of the H 2 /O 2 kinetic model to improve flame speed prediction capabilities, and development of a multi-time scale algorithm to improve computational efficiency in reacting flow simulations. Executive SummaryRigorous experimental, theoretical, and numerical investigation of various issues relevant to the development of reduced, validated kinetic mechanisms for synthetic gas combustion in gas turbines was carried out -including the construction of new radiation models for combusting flows, improvement of flame speed measurement techniques, measurements and chemical kinetic analysis of H 2 /CO/CO 2 /O 2 /diluent mixtures, revision of the H 2 /O 2 kinetic model to improve flame speed prediction capabilities, and development of a multi-time scale algorithm to improve computational efficiency in reacting flow simulations.An accurate spectral dependent radiation model is developed to predict flame speed and flammability of H 2 /CO/CO 2 /H 2 O/Air mixtures. The results showed that radiation reabsorption significantly extended the flammability limits. It was also demonstrated that accurate prediction of coal syngas flammability is not possible without appropriate consideration of radiation absorption by CO 2 and H 2 O.Methodologies to improve flame speed measurement were developed by experimental and theoretical investigation of the effect of non-spherical (i.e. cylindrical) bomb geometry on the evolution of outwardly propagating flames and the determination of laminar flame speeds. The cylindrical chamber boundary modifies the propagation rate through the interaction of the wall with the flow induced by thermal expansion across the flame (even with constant pressure), which leads to significant distortion of the flame surface for large flame radii. It was determined that these departures from the unconfined case, especially the resulting non-zero burned gas velocities, can lead to significant errors in flame speeds calculated using the conventional assumptions, especially for large flame sizes.The methodology to estimate the effect of nonzero burned gas velocities is applied to correct the flame speed for non-zero burned gas speeds, in order to extend the range of flame radii useful for flame speed measurements. Under the proposed scaling, the burned gas speed can be well approximated as a function of only flame radius for a given chamber geometry -i.e. the correction function need only be determined once for an apparatus and then it can be used for any mixture. Results indicate that the flow correction can be used to extract flame speeds for flame radii up to 0.5 times the wall radius wi...

show abstract

An optimized kinetic model of H2/CO combustion

Cited by 636 publications

References 49 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

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

Reduced and Validated Kinetic Mechanisms for Hydrogen-CO-sir Combustion in Gas Turbines

Contact Info

Product

Resources

About