Prediction of Kinetic Parameters for Hydrogen Abstraction Reactions

Ranzi, E.; Dente, Mario; Faravelli, Tiziano; Pennati, Giancarlo

doi:10.1080/00102209408935325

Cited by 79 publications

(60 citation statements)

References 39 publications

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“…These modifications allow to handle lumped reactions with several products and also allow the use of H abstraction reactions in a simplified form, which assumes analogy and similarity rules for the estimation of the kinetic parameters [29]. Thermochemical information and transport properties were primarily obtained from the Chemkin thermodynamic database [30].…”

Section: Kinetic Modeling Of Cyclohexane Decomposition and Soot Formamentioning

confidence: 99%

Experimental and kinetic modeling study of sooting atmospheric-pressure cyclohexane flame

Ciajolo

Tregrossi

Mallardo

et al. 2009

Proceedings of the Combustion Institute

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Section: Kinetic Modeling Of Cyclohexane Decomposition and Soot Formamentioning

confidence: 99%

Experimental and kinetic modeling study of sooting atmospheric-pressure cyclohexane flame

Ciajolo

Tregrossi

Mallardo

et al. 2009

Proceedings of the Combustion Institute

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“…The reduction of the reaction rate due to the higher activation energy becomes less relevant when temperature increases so that the differences in the rate constants are less significant. An extensive description of the methodology here applied can be found in [29]. As a matter of example, Table 5 reports some of the reference rate constant here adopted.…”

Section: Abstraction Reactionsmentioning

confidence: 99%

Oxidation and combustion of the n-hexene isomers: A wide range kinetic modeling study

Mehl

Vanhove

Pitz

et al. 2008

Combustion and Flame

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132

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A detailed chemical kinetic mechanism has been developed to study the oxidation of the straight-chain isomers of hexene over a wide range of operating conditions. The main features of this detailed kinetic mechanism, which includes both high and low temperature reaction pathways, are presented and discussed with special emphasis on the main classes of reactions involved in alkene oxidation. Simulation results have been compared with experimental data over a wide range of operating conditions including shock tube, jet stirred reactor and rapid compression machine. The different reactivities of the three isomers have been successfully predicted by the model. Isomerization reactions of the hexenyl radicals were found to play a significant role in the chemistry and interactions of the three n-hexene isomers. A comparative reaction flux analysis is used to verify and discuss the fundamental role of the double bond position in the isomerization reactions of alkenyl radicals, as well as the impact of the allylic site in the low and high temperature mechanism of fuel oxidation.3

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“…Metathesis reactions are treated according to the systematic approach described by Ranzi et al [87]. The reactivity of primary and secondary H-atoms are considered to be the same as those for alkanes.…”

Section: Polimi Kinetic Mechanismmentioning

confidence: 99%

An experimental and kinetic modeling study of the pyrolysis and oxidation of n-C3C5 aldehydes in shock tubes

Pelucchi

Somers

Yasunaga

et al. 2015

Combustion and Flame

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Prediction of Kinetic Parameters for Hydrogen Abstraction Reactions

Cited by 79 publications

References 39 publications

Experimental and kinetic modeling study of sooting atmospheric-pressure cyclohexane flame

Experimental and kinetic modeling study of sooting atmospheric-pressure cyclohexane flame

Oxidation and combustion of the n-hexene isomers: A wide range kinetic modeling study

An experimental and kinetic modeling study of the pyrolysis and oxidation of n-C3C5 aldehydes in shock tubes

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