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    A tangent linear approximation of the ignition delay time. I: Sensitivity to rate parameters

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    Description:
    Accepted Manuscript
    Embargo End Date:
    2023-04-02
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    Type
    Article
    Authors
    Almohammadi, Saja M. cc
    Hantouche, Mireille cc
    Le Maître, Olivier P.
    Knio, Omar cc
    KAUST Department
    Applied Mathematics and Computational Science Program
    Computer, Electrical and Mathematical Science and Engineering (CEMSE) Division
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2021-04-02
    Online Publication Date
    2021-04-02
    Print Publication Date
    2021-08
    Embargo End Date
    2023-04-02
    Submitted Date
    2020-10-31
    Permanent link to this record
    http://hdl.handle.net/10754/668718
    
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    Abstract
    A tangent linear approximation is developed to estimate the sensitivity of the ignition delay time with respect to individual rate parameters in a detailed chemical mechanism. Attention is focused on a gas mixture reacting under adiabatic, constant-volume conditions. The uncertainty in the rates of elementary reactions is described in terms of uncertainty factors, and are parameterized using independent canonical random variables. The approach is based on integrating the linearized system of equations governing the evolution of the partial derivatives of the state vector with respect to individual random variables, and a linearized approximation is developed to relate the ignition delay sensitivity to the scaled partial derivatives of temperature. The efficiency of the approach is demonstrated through applications to chemical mechanisms of different sizes. In particular, the computations indicate that for detailed reaction mechanisms the TLA leads to robust local sensitivity predictions at a computational cost that is order-of-magnitude smaller than that incurred by finite-difference approaches based on one-at-a-time rate perturbations.
    Citation
    Almohammadi, S., Hantouche, M., Le Maître, O. P., & Knio, O. M. (2021). A tangent linear approximation of the ignition delay time. I: Sensitivity to rate parameters. Combustion and Flame, 230, 111426. doi:10.1016/j.combustflame.2021.111426
    Sponsors
    The research reported in this publication was supported by King Abdullah University of Science and Technology (KAUST). The authors are grateful to three anonymous reviewers for comments and suggestions that resulted in significant improvements to this manuscript. The TLA codes are available from the authors upon request.
    Publisher
    Elsevier BV
    Journal
    Combustion and Flame
    DOI
    10.1016/j.combustflame.2021.111426
    10.1016/j.combustflame.2021.111677
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S0010218021001656
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.combustflame.2021.111426
    Scopus Count
    Collections
    Articles; Applied Mathematics and Computational Science Program; Physical Science and Engineering (PSE) Division; Mechanical Engineering Program; Computer, Electrical and Mathematical Science and Engineering (CEMSE) Division

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