Direct sensitivity analysis for ignition delay times

The sensitivity coefficients of ignition delay time with respect to chemical kinetic rate parameters is traditionally calculated using a brute force approach wherein the number of initial value problems solved is no fewer than the number of rate parameters. By reformulating the underlying initial va...

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Veröffentlicht in:Combustion and flame 2019-11, Vol.209, p.478-480
Hauptverfasser: Gururajan, Vyaas, Egolfopoulos, Fokion N.
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container_title Combustion and flame
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Egolfopoulos, Fokion N.
description The sensitivity coefficients of ignition delay time with respect to chemical kinetic rate parameters is traditionally calculated using a brute force approach wherein the number of initial value problems solved is no fewer than the number of rate parameters. By reformulating the underlying initial value problem as a boundary value problem, it is shown that the sensitivity coefficients can be extracted directly, accelerating thus the computational time by at least an order of magnitude. This has far reaching consequences in kinetic model development and optimization, especially when a large number of rate constants are involved.
doi_str_mv 10.1016/j.combustflame.2019.08.007
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source ScienceDirect Journals (5 years ago - present)
subjects Boundary value problems
Chemical kinetics
Computing time
Delay time analysis
Ignition
Jacobian
Optimization
Organic chemistry
Parameters
Rate constants
Sensitivity
Sensitivity analysis
title Direct sensitivity analysis for ignition delay times
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