n-Butane: Ignition delay measurements at high pressure and detailed chemical kinetic simulations

    Authors

    D. Healy; N. S. Donato; C. J. Aul; E. L. Petersen; C. M. Zinner; G. Bourque;H. J. Curran

    Comments

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    Abbreviated Journal Title

    Combust. Flame

    Keywords

    n-Butane; Modeling; Ignition delay; Shock tube; Rapid compression; machine; High pressure; Chemical kinetics; RAPID COMPRESSION MACHINE; NEGATIVE TEMPERATURE-COEFFICIENT; SHOCK-WAVES; MIXTURE OXIDATION; RATE CONSTANTS; GAS-PHASE; AUTOIGNITION; MECHANISM; ALKANES; INTERMEDIATE; Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical

    Abstract

    Ignition delay time measurements were recorded at equivalence ratios of 0.3, 0.5, 1, and 2 for n-butane at pressures of approximately 1, 10, 20, 30 and 45 atm at temperatures from 690 to 1430 K in both a rapid compression machine and in a shock tube. A detailed chemical kinetic model consisting of 1328 reactions involving 230 species was constructed and used to validate the delay times. Moreover, this mechanism has been used to simulate previously published ignition delay times at atmospheric and higher pressure. Arrhenius-type ignition delay correlations were developed for temperatures greater than 1025 K which relate ignition delay time to temperature and concentration of the mixture. Furthermore, a detailed sensitivity analysis and a reaction pathway analysis were performed to give further insight to the chemistry at various conditions. When compared to existing data from the literature, the model performs quite well, and in several instances the conditions of earlier experiments were duplicated in the laboratory with overall good agreement. To the authors' knowledge, the present paper presents the most comprehensive set of ignition delay time experiments and kinetic model validation for n-butane oxidation in air. (C) 2010 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

    Journal Title

    Combustion and Flame

    Volume

    157

    Issue/Number

    8

    Publication Date

    1-1-2010

    Document Type

    Article

    Language

    English

    First Page

    1526

    Last Page

    1539

    WOS Identifier

    WOS:000279300800008

    ISSN

    0010-2180

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