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Dynamical system analysis of ignition phenomena using the Tangential Stretching Rate concept

Dynamical system analysis of ignition phenomena using the Tangential Stretching Rate concept
Dynamical system analysis of ignition phenomena using the Tangential Stretching Rate concept

We analyze ignition phenomena by resorting to the stretching rate concept formerly introduced in the study of dynamical systems. We construct a Tangential Stretching Rate (TSR) parameter by combining the concepts of stretching rate with the decomposition of the local tangent space in eigen-modes. The main feature of the TSR is its ability to identify unambiguously the most energetic scale at a given space location and time instant. The TSR depends only on the local composition of the mixture, its temperature and pressure. As such, it can be readily computed during the post processing of computed reactive flow fields, both for spatially homogeneous and in-homogenous systems. Because of the additive nature of the TSR, we defined a normalized participation index measuring the relative contribution of each mode to the TSR. This participation index to the TSR can be combined with the mode amplitude participation Index of a reaction to a mode - as defined in the Computational Singular Perturbation (CSP) method - to obtain a direct link between a reaction and TSR. The reactions having both a large participation index to the TSR and a large CSP mode amplitude participation index are those contributing the most to both the explosive and relaxation regimes of a reactive system. This information can be used for both diagnostics and for the simplification of kinetic mechanisms. We verified the properties of the TSR with reference to three nonlinear planar models (one for isothermal branched-chain reactions, one for a non-isothermal, one-step system, and for non-isothermal branched-chain reactions), to one planar linear model (to discuss issues associated with non-normality), and to test problems involving hydro-carbon oxidation kinetics. We demonstrated that the reciprocal of the TSR parameter is the proper characteristic chemical time scale in problems involving multi-step chemical kinetic mechanisms, because (i) it is the most relevant time scale during both the explosive and relaxation regimes and (ii) it is intrinsic to the kinetics, that is, it can be identified without the need of any ad hoc assumption.

Chemical kinetics, Computational singular perturbation, Ignition, Tangential stretching rate
0010-2180
2963-2990
Valorani, Mauro
831fae90-ef8a-49fb-bef8-123a70ef8024
Paolucci, Samuel
d9d7b875-1826-43d8-8058-c48802001e29
Martelli, Emanuele
1da6ab63-e505-4ddf-a8a9-66203c4aae3b
Grenga, Temistocle
be0eba30-74b5-4134-87e7-3a2d6dd3836f
Ciottoli, Pietro P.
e1233456-9c10-4e4f-8276-31559153f0a8
Valorani, Mauro
831fae90-ef8a-49fb-bef8-123a70ef8024
Paolucci, Samuel
d9d7b875-1826-43d8-8058-c48802001e29
Martelli, Emanuele
1da6ab63-e505-4ddf-a8a9-66203c4aae3b
Grenga, Temistocle
be0eba30-74b5-4134-87e7-3a2d6dd3836f
Ciottoli, Pietro P.
e1233456-9c10-4e4f-8276-31559153f0a8

Valorani, Mauro, Paolucci, Samuel, Martelli, Emanuele, Grenga, Temistocle and Ciottoli, Pietro P. (2015) Dynamical system analysis of ignition phenomena using the Tangential Stretching Rate concept. Combustion and Flame, 162 (8), 2963-2990. (doi:10.1016/j.combustflame.2015.05.015).

Record type: Article

Abstract

We analyze ignition phenomena by resorting to the stretching rate concept formerly introduced in the study of dynamical systems. We construct a Tangential Stretching Rate (TSR) parameter by combining the concepts of stretching rate with the decomposition of the local tangent space in eigen-modes. The main feature of the TSR is its ability to identify unambiguously the most energetic scale at a given space location and time instant. The TSR depends only on the local composition of the mixture, its temperature and pressure. As such, it can be readily computed during the post processing of computed reactive flow fields, both for spatially homogeneous and in-homogenous systems. Because of the additive nature of the TSR, we defined a normalized participation index measuring the relative contribution of each mode to the TSR. This participation index to the TSR can be combined with the mode amplitude participation Index of a reaction to a mode - as defined in the Computational Singular Perturbation (CSP) method - to obtain a direct link between a reaction and TSR. The reactions having both a large participation index to the TSR and a large CSP mode amplitude participation index are those contributing the most to both the explosive and relaxation regimes of a reactive system. This information can be used for both diagnostics and for the simplification of kinetic mechanisms. We verified the properties of the TSR with reference to three nonlinear planar models (one for isothermal branched-chain reactions, one for a non-isothermal, one-step system, and for non-isothermal branched-chain reactions), to one planar linear model (to discuss issues associated with non-normality), and to test problems involving hydro-carbon oxidation kinetics. We demonstrated that the reciprocal of the TSR parameter is the proper characteristic chemical time scale in problems involving multi-step chemical kinetic mechanisms, because (i) it is the most relevant time scale during both the explosive and relaxation regimes and (ii) it is intrinsic to the kinetics, that is, it can be identified without the need of any ad hoc assumption.

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More information

Published date: 1 August 2015
Additional Information: Funding Information: MV and EM acknowledge the support of the Italian Ministry of University and Research (MIUR). MV acknowledges the support of the CCRC at KAUST for the development of the CSPTk library. The authors are thankful to C.Safta for their support during the harmonization of TChem with CSPTk. Publisher Copyright: © 2015 The Combustion Institute.
Keywords: Chemical kinetics, Computational singular perturbation, Ignition, Tangential stretching rate

Identifiers

Local EPrints ID: 480907
URI: http://eprints.soton.ac.uk/id/eprint/480907
ISSN: 0010-2180
PURE UUID: 018759e8-68f2-46f7-a6cf-aa5a38531714
ORCID for Temistocle Grenga: ORCID iD orcid.org/0000-0002-9465-9505

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Date deposited: 10 Aug 2023 16:53
Last modified: 18 Mar 2024 04:10

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Contributors

Author: Mauro Valorani
Author: Samuel Paolucci
Author: Emanuele Martelli
Author: Temistocle Grenga ORCID iD
Author: Pietro P. Ciottoli

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