Search Results - "Bai, Shirong"

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    Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways by Bai, Shirong, Skodje, Rex T

    Published in The journal of physical chemistry letters (17-08-2017)
    “…A new approach is presented for simulating the time-evolution of chemically reactive systems. This method provides an alternative to conventional modeling of…”
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    Journal Article
  3. 3

    A chemical pathway perspective on the kinetics of low-temperature ignition of propane by Bai, Shirong, Davis, Michael J., Sivaramakrishnan, Raghu, Skodje, Rex T.

    Published in Combustion and flame (01-04-2019)
    “…The chemistry of low-temperature ignition in propane/air mixtures is analyzed using a recently developed pathway representation of the chemical kinetics. The…”
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    Journal Article
  4. 4

    The sum over histories representation for chemical kinetics: a quantitative theory based on chemical pathways by Bai, Shirong, Skodje, Rex T.

    “…A new representation for chemical kinetics based on a sum over histories formulation is discussed. The description of the time-dependent chemistry of a…”
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    Journal Article Book Review
  5. 5

    Sum over Histories Representation for Kinetic Sensitivity Analysis: How Chemical Pathways Change When Reaction Rate Coefficients Are Varied by Bai, Shirong, Davis, Michael J, Skodje, Rex T

    “…The sensitivity of kinetic observables is analyzed using a newly developed sum over histories representation of chemical kinetics. In the sum over histories…”
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    Journal Article
  6. 6

    Sum over Histories Representation for Chemical Kinetics by Bai, Shirong, Zhou, Dingyu, Davis, Michael J, Skodje, Rex T

    Published in The journal of physical chemistry letters (02-01-2015)
    “…A new representation for chemical kinetics is introduced that is based on a sum over histories formulation that employs chemical pathways defined at a…”
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    Journal Article
  7. 7

    Sum Over Histories Representation of Chemical Kinetics: An Interpretive and Predictive Method for Modeling Chemical Kinetics Using Time-dependent Pathways by Bai, Shirong

    Published 2018
    “…Chemical kinetics can be viewed as an intricate network of inter-related chemical reactions that work cooperatively to convert reagent species into product…”
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    Dissertation