The Proceedings of the International symposium on diagnostics and modeling of combustion in internal combustion engines
Online ISSN : 2424-2918
2012.8
Session ID : OS3-2
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OS3-2 Global Reaction Mechanism of Alkanes(OS3 Application of chemical kinetics to combustion modeling,Organized Session Papers)
Hiromitsu AndoYasuyuki SakaiKazunari KuwaharaMasanori FurutaniMuyou Syuu
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CONFERENCE PROCEEDINGS FREE ACCESS

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Abstract
When the initial temperature is low, oxidation process of alkanes with the carbon number higher than three is characterized by the LTO, low temperature oxidation process. This process is controlled by RO_2 Chemistry and H_2O_2 Chemistry (Route 1). When the initial temperature is higher than T_<LTO-end>, LTO end temperature, oxidation proceeds skipping the LTO process. In such conditions, reaction proceeds by the scission of the alkyl radical, generating alkene and smaller alkyl radical (Route 2). When the initial temperature is extremely high, direct decomposition of alkane controls the reaction process (Route 3). The rate determining process of Route 1 is the β scission of ketohydroperoxides generated by RH→R→ROO→QOOH→OOQOOH→ Ket(Ald)OOH, the rate determining process of Route 2 is the dissociation of H_2O_2, H_2O_2→OH+OH. The rate determining process of Route3 is the branching chain reaction H+O_2→OH+O.
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© 2012 The Japan Society of Mechanical Engineers
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