Necessary and Sufficient Conditions for Accurate Reduced Kinetic Mechanisms to Have Fidelity in Reactive Flow Simulations.
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| Title: | Necessary and Sufficient Conditions for Accurate Reduced Kinetic Mechanisms to Have Fidelity in Reactive Flow Simulations. |
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| Authors: | Bellan, Josette1 (AUTHOR) jbellan@caltech.edu |
| Source: | Combustion Science & Technology. 2026, Vol. 198 Issue 6, p1628-1669. 42p. |
| Subject Terms: | *Reactive flow, *Chemical kinetics, *Navier-Stokes equations, *Chemical species, *Oxidation kinetics |
| Abstract: | To date, there is still an inability to efficiently solve the Navier–Stokes equations for reactive flows in conjunction with lengthy and complex chemical kinetics describing oxidation of realistic fuels. Therefore, reduced kinetic mechanisms are sought that are as compact as possible, so as to reduce the number of species equations solved. However, there is a quandary for flow simulations as to whether compact reduced mechanisms could emulate hypothetical flow simulations using the template kinetics from which the reduced mechanism was obtained. In this study, necessary and sufficient conditions are derived for this emulation to occur. The proposed concepts, self-similarity and partitioning the ensemble of species into computed and non-computed species, are the building blocks of the chemical kinetic reduction in the Local Self-Similarity Tabulation method. It is shown that employing the same species partitioning concept for flow simulations must be accompanied by several conditions which must be satisfied for the simulation to be a good approximation of the hypothetical simulation using the template kinetic mechanism. These conditions represent the necessary and sufficient conditions criteria. There are indications from the literature that these criteria are not necessarily satisfied. A protocol is proposed for checking whether these conditions are fulfilled for any selected reduced mechanism. Several possibilities are advanced to palliate for lack of fulfillment of these criteria. Research gaps are identified that must be filled to enable successful utilization of reduced mechanisms in reactive flow simulations, and procedures to mitigate these gaps are outlined. [ABSTRACT FROM AUTHOR] |
| Database: | Energy & Power Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: enr DbLabel: Energy & Power Source An: 192729306 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Necessary and Sufficient Conditions for Accurate Reduced Kinetic Mechanisms to Have Fidelity in Reactive Flow Simulations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Bellan%2C+Josette%22">Bellan, Josette</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> jbellan@caltech.edu</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Combustion+Science+%26+Technology%22">Combustion Science & Technology</searchLink>. 2026, Vol. 198 Issue 6, p1628-1669. 42p. – Name: Subject Label: Subject Terms Group: Su Data: *<searchLink fieldCode="DE" term="%22Reactive+flow%22">Reactive flow</searchLink><br />*<searchLink fieldCode="DE" term="%22Chemical+kinetics%22">Chemical kinetics</searchLink><br />*<searchLink fieldCode="DE" term="%22Navier-Stokes+equations%22">Navier-Stokes equations</searchLink><br />*<searchLink fieldCode="DE" term="%22Chemical+species%22">Chemical species</searchLink><br />*<searchLink fieldCode="DE" term="%22Oxidation+kinetics%22">Oxidation kinetics</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: To date, there is still an inability to efficiently solve the Navier–Stokes equations for reactive flows in conjunction with lengthy and complex chemical kinetics describing oxidation of realistic fuels. Therefore, reduced kinetic mechanisms are sought that are as compact as possible, so as to reduce the number of species equations solved. However, there is a quandary for flow simulations as to whether compact reduced mechanisms could emulate hypothetical flow simulations using the template kinetics from which the reduced mechanism was obtained. In this study, necessary and sufficient conditions are derived for this emulation to occur. The proposed concepts, self-similarity and partitioning the ensemble of species into computed and non-computed species, are the building blocks of the chemical kinetic reduction in the Local Self-Similarity Tabulation method. It is shown that employing the same species partitioning concept for flow simulations must be accompanied by several conditions which must be satisfied for the simulation to be a good approximation of the hypothetical simulation using the template kinetic mechanism. These conditions represent the necessary and sufficient conditions criteria. There are indications from the literature that these criteria are not necessarily satisfied. A protocol is proposed for checking whether these conditions are fulfilled for any selected reduced mechanism. Several possibilities are advanced to palliate for lack of fulfillment of these criteria. Research gaps are identified that must be filled to enable successful utilization of reduced mechanisms in reactive flow simulations, and procedures to mitigate these gaps are outlined. [ABSTRACT FROM AUTHOR] |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=enr&AN=192729306 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1080/00102202.2025.2513968 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 42 StartPage: 1628 Subjects: – SubjectFull: Reactive flow Type: general – SubjectFull: Chemical kinetics Type: general – SubjectFull: Navier-Stokes equations Type: general – SubjectFull: Chemical species Type: general – SubjectFull: Oxidation kinetics Type: general Titles: – TitleFull: Necessary and Sufficient Conditions for Accurate Reduced Kinetic Mechanisms to Have Fidelity in Reactive Flow Simulations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Bellan, Josette IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 04 Text: 2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 00102202 Numbering: – Type: volume Value: 198 – Type: issue Value: 6 Titles: – TitleFull: Combustion Science & Technology Type: main |
| ResultId | 1 |
