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Grant support

Forman Williams is gratefully acknowledged for his valuable input on the model and Marc Le Boursicaud is gratefully acknowledged for the fruitful conversations about the hydrogen hazardous ignition model [28] . A. Millan-Merino acknowledges support from the Margarita Salas postdoctoral grants funded by the Spanish "Ministerio de Ciencia, Innovacion y Universidades, Spain" with Next Generation European Union through the "Convocatoria de la Universidad Carlos III de Madrid de Ayudas para la recualificacion del sistema universitario espanol para 2021-2023, de 1 de julio de 2021"TED2021-129446B-C43 funded by MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/PRTR.

Analysis of institutional authors

Millan-Merino, AlejandroCorresponding Author

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Article

A new single-step mechanism for hydrogen combustion

Publicated to:Combustion And Flame. 268 113641- - 2024-10-01 268(), DOI: 10.1016/j.combustflame.2024.113641

Authors: Millan-Merino, Alejandro; Boivin, Pierre

Affiliations

Aix Marseille Univ, Cent Marseille, CNRS, M2P2, Marseille, France - Author
Univ Carlos III Madrid, Dept Ingn Term & Fluidos, Leganes, Spain - Author
Univ Politecn Madrid, Madrid, Spain - Author

Abstract

A single-step chemical-kinetic mechanism is developed that provides good predictions of laminar burning velocities and auto-ignition times. Reasonably accurate adiabatic flame temperatures and (consequently) total amounts of heat release are first obtained through asymptotic expansions of equilibrium expressions for the production of H, O, and OH radicals from the stable products, H2O 2 O along with H2 2 and O2. 2 . By ignoring the inner flame structure, this yields minimal computational stiffness for a wide range of equivalence ratios and pressures. In the single-step rate expression, a passive scalar carrying the radical pool is then introduced that enables reasonable laminar flame structures and burning velocities to be calculated. An additional passive scalar measuring pre-heat-release radical build-up serves to track auto-ignition properly as well, thereby providing reasonable predictions for time-dependent as well as steady-state conditions. The results from this computationally convenient formulation are useful for describing a number of combustion processes, including counter-flow flames. Novelty and significance statement Hydrogen combustion plays a key role in the carbon-free energy transition. The CPU cost/accuracy balance between detailed and reduced chemistries makes it hard to get the full approval of the CFD community. This balance is more likely in single-step mechanisms due to errors in flame temperature predictions and narrow application conditions. In this study, we apply the novel formalism of varying stoichiometric coefficients to construct a single-step mechanism that accurately reproduces adiabatic temperatures. A global reaction rate constructed from the flame chain-branching analysis and the flammability limits is proposed. Furthermore, an optional passive scalar coupling is presented to extend the capabilities of the present mechanism to autoignition predictions. This work provides an efficient and accurate alternative scheme for CFD hydrogen combustion applications, valid for a wide range of conditions.

Keywords

CombustionFlameHydrogenIgnitionLaminarReduced chemistrReduced chemistry

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Combustion And Flame due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2024 there are still no calculated indicators, but in 2023, it was in position 58/171, thus managing to position itself as a Q1 (Primer Cuartil), in the category Energy & Fuels.

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2025-06-27:

  • WoS: 1
  • Scopus: 2

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-06-27:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 17 (PlumX).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • The work has been submitted to a journal whose editorial policy allows open Open Access publication.
  • Assignment of a Handle/URN as an identifier within the deposit in the Institutional Repository: https://oa.upm.es/84622/

As a result of the publication of the work in the institutional repository, statistical usage data has been obtained that reflects its impact. In terms of dissemination, we can state that, as of

  • Views: 65
  • Downloads: 98

Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: France.

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (MILLAN MERINO, ALEJANDRO) .

the author responsible for correspondence tasks has been MILLAN MERINO, ALEJANDRO.