An Explicit Analytical Theory for Ignition Delay Time Prediction of Ammonia/Hydrogen Binary Carbon-Neutral Fuel

Abstract Ammonia/hydrogen mixture fuel is recognized as a promising carbon-neutral fuel, and as such, accurate prediction of its ignition properties is essential. In this study, we present an explicitly analytical theory of the ignition delay times (IDTs) for an ammonia/hydrogen binary fuel. Different from the fitted formulas of IDTs, the current theory adopts the eigenvalue analysis of the Jacobian matrix with a detailed ammonia–hydrogen kinetic model, which retains the essential species and elementary reactions. Comparison with experimental data and computational results from detailed kinetics shows that the theory gives accurate predictions of IDTs over wide ranges of temperatures, pressures, and compositions. The current approach provides a new methodology for fast evaluation of ammonia–hydrogen binary fuel IDTs while maintaining the underlying kinetic information.

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Publication Details

Journal
The Journal of Physical Chemistry A
Published
2026-10-13
DOI
https://doi.org/10.1021/acs.jpca.6c03732
Primary Topic
Advanced Combustion Engine Technologies
Type
article
Field-Weighted Citation Impact
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article

An Explicit Analytical Theory for Ignition Delay Time Prediction of Ammonia/Hydrogen Binary Carbon-Neutral Fuel

Wenkai Liang, Jingqi Hu
The Journal of Physical Chemistry A
Advanced Combustion Engine Technologies
article

An Explicit Analytical Theory for Ignition Delay Time Prediction of Ammonia/Hydrogen Binary Carbon-Neutral Fuel

Wenkai Liang, Jingqi Hu
article en

Abstract

Abstract Ammonia/hydrogen mixture fuel is recognized as a promising carbon-neutral fuel, and as such, accurate prediction of its ignition properties is essential. In this study, we present an explicitly analytical theory of the ignition delay times (IDTs) for an ammonia/hydrogen binary fuel. Different from the fitted formulas of IDTs, the current theory adopts the eigenvalue analysis of the Jacobian matrix with a detailed ammonia–hydrogen kinetic model, which retains the essential species and elementary reactions. Comparison with experimental data and computational results from detailed kinetics shows that the theory gives accurate predictions of IDTs over wide ranges of temperatures, pressures, and compositions. The current approach provides a new methodology for fast evaluation of ammonia–hydrogen binary fuel IDTs while maintaining the underlying kinetic information.

The Journal of Physical Chemistry A
Tsinghua University (CN)
Openalex Percentile: Top 24%
Advanced Combustion Engine Technologies
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