### Abstract

A well-established method for the analysis of large reaction mechanisms is the calculation and interpretation of the sensitivity of the kinetic model output Y_{1} to parameter changes. Comparison of the sensitivity vectors s_{i},- = {∂Y_{i}/∂_{p}} belonging to different model outputs is a new tool for kinetic analysis. The relationship of the sensitivity vectors was investigated in homogeneous explosions, freely propagating and burner-stabilized laminar flames of hydrogen-air mixtures, using either calculated adiabatic or constrained temperature profiles, for fuel-to-air ratios φ = 0.5-4.0. Sensitivity vectors are called locally similar, if the relationship s_{i} = λ_{ij}s_{j} is valid, where λ_{ij} is a scalar. In many systems, only approximate local similarity of the sensitivity vectors exists and the extent of it can be quantified by using an appropriate correlation function. In the cases of adiabatic explosions and burner-stabilized flames, accurate local similarity was present in wide ranges of the independent variable (time or distance), and the correlation function indicated that the local similarity was not valid near the concentration extremes of the corresponding species. The regions of poor similarity were studied further by cobweb plots. The correlation relationships found could be interpreted by the various kinetic processes in the hydrogen combustion systems. The sensitivity vector of the laminar flame velocity is usually considered to be characteristic for the whole combustion process. Our investigations showed that the flame velocity sensitivity vector has good correlation with the H and H_{2}O concentration sensitivities at the front of the adiabatic flames, but there is poor correlation with the sensitivity vectors of all concentrations in homogeneous explosions.

Original language | English |
---|---|

Pages (from-to) | 238-252 |

Number of pages | 15 |

Journal | International Journal of Chemical Kinetics |

Volume | 36 |

Issue number | 4 |

Publication status | Published - Apr 2004 |

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### ASJC Scopus subject areas

- Physical and Theoretical Chemistry
- Catalysis

### Cite this

**Investigation of the Correlation of Sensitivity Vectors of Hydrogen Combustion Models.** / Zádor, Judit; Zsély, I.; Turányi, T.

Research output: Contribution to journal › Article

*International Journal of Chemical Kinetics*, vol. 36, no. 4, pp. 238-252.

}

TY - JOUR

T1 - Investigation of the Correlation of Sensitivity Vectors of Hydrogen Combustion Models

AU - Zádor, Judit

AU - Zsély, I.

AU - Turányi, T.

PY - 2004/4

Y1 - 2004/4

N2 - A well-established method for the analysis of large reaction mechanisms is the calculation and interpretation of the sensitivity of the kinetic model output Y1 to parameter changes. Comparison of the sensitivity vectors si,- = {∂Yi/∂p} belonging to different model outputs is a new tool for kinetic analysis. The relationship of the sensitivity vectors was investigated in homogeneous explosions, freely propagating and burner-stabilized laminar flames of hydrogen-air mixtures, using either calculated adiabatic or constrained temperature profiles, for fuel-to-air ratios φ = 0.5-4.0. Sensitivity vectors are called locally similar, if the relationship si = λijsj is valid, where λij is a scalar. In many systems, only approximate local similarity of the sensitivity vectors exists and the extent of it can be quantified by using an appropriate correlation function. In the cases of adiabatic explosions and burner-stabilized flames, accurate local similarity was present in wide ranges of the independent variable (time or distance), and the correlation function indicated that the local similarity was not valid near the concentration extremes of the corresponding species. The regions of poor similarity were studied further by cobweb plots. The correlation relationships found could be interpreted by the various kinetic processes in the hydrogen combustion systems. The sensitivity vector of the laminar flame velocity is usually considered to be characteristic for the whole combustion process. Our investigations showed that the flame velocity sensitivity vector has good correlation with the H and H2O concentration sensitivities at the front of the adiabatic flames, but there is poor correlation with the sensitivity vectors of all concentrations in homogeneous explosions.

AB - A well-established method for the analysis of large reaction mechanisms is the calculation and interpretation of the sensitivity of the kinetic model output Y1 to parameter changes. Comparison of the sensitivity vectors si,- = {∂Yi/∂p} belonging to different model outputs is a new tool for kinetic analysis. The relationship of the sensitivity vectors was investigated in homogeneous explosions, freely propagating and burner-stabilized laminar flames of hydrogen-air mixtures, using either calculated adiabatic or constrained temperature profiles, for fuel-to-air ratios φ = 0.5-4.0. Sensitivity vectors are called locally similar, if the relationship si = λijsj is valid, where λij is a scalar. In many systems, only approximate local similarity of the sensitivity vectors exists and the extent of it can be quantified by using an appropriate correlation function. In the cases of adiabatic explosions and burner-stabilized flames, accurate local similarity was present in wide ranges of the independent variable (time or distance), and the correlation function indicated that the local similarity was not valid near the concentration extremes of the corresponding species. The regions of poor similarity were studied further by cobweb plots. The correlation relationships found could be interpreted by the various kinetic processes in the hydrogen combustion systems. The sensitivity vector of the laminar flame velocity is usually considered to be characteristic for the whole combustion process. Our investigations showed that the flame velocity sensitivity vector has good correlation with the H and H2O concentration sensitivities at the front of the adiabatic flames, but there is poor correlation with the sensitivity vectors of all concentrations in homogeneous explosions.

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M3 - Article

AN - SCOPUS:1642587334

VL - 36

SP - 238

EP - 252

JO - International Journal of Chemical Kinetics

JF - International Journal of Chemical Kinetics

SN - 0538-8066

IS - 4

ER -