Modelling confined hydrogen–air detonations with the conservation element/solution element method for varying initial compositions

Hydrogen transportation poses significant explosion risks, especially under confined conditions. This study evaluates the accuracy of the Conservation Element/Solution Element (CESE) method, with finite-rate chemistry, for predicting blast loads from confined hydrogen–air detonations at varying initial compositions. A shock tube simulation is compared against one-dimensional theory at the detonation front, using four reaction mechanisms (7 to 19 species). The 7-species mechanism predicts the Chapman–Jouguet (CJ) state within 1%–2% error up to 40 vol% H 2 , offering a computationally efficient option for large simulations, considering that computational time scales with the square of the number of species. While mesh refinement (0.2–2 mm) improves peak pressure prediction, impulse remains 5% underestimated due to the unresolved induction zone. The proposed 2D model – using 7 species, 1 mm mesh size and inviscid flow – is then validated against a confined detonation experiment from literature. It accurately predicts detonation speed, pressure history (including shock reflections), and impulse along the 3-metre chamber. The study provides insight into the applicability and limitations of the CESE-chemistry method in confined detonation scenarios.

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Publication Details

Journal
Process Safety and Environmental Protection
Published
2025-12-02
DOI
https://doi.org/10.1016/j.psep.2025.108257
Primary Topic
Combustion and Detonation Processes
Type
article
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article

Modelling confined hydrogen–air detonations with the conservation element/solution element method for varying initial compositions

Saullo G. P. Castro, A. van Zuijlen, Samuel da Silveira Martins
Process Safety and Environmental Protection
Combustion and Detonation Processes
article

Modelling confined hydrogen–air detonations with the conservation element/solution element method for varying initial compositions

Saullo G. P. Castro, A. van Zuijlen, Samuel da Silveira Martins
article en

Abstract

Hydrogen transportation poses significant explosion risks, especially under confined conditions. This study evaluates the accuracy of the Conservation Element/Solution Element (CESE) method, with finite-rate chemistry, for predicting blast loads from confined hydrogen–air detonations at varying initial compositions. A shock tube simulation is compared against one-dimensional theory at the detonation front, using four reaction mechanisms (7 to 19 species). The 7-species mechanism predicts the Chapman–Jouguet (CJ) state within 1%–2% error up to 40 vol% H 2 , offering a computationally efficient option for large simulations, considering that computational time scales with the square of the number of species. While mesh refinement (0.2–2 mm) improves peak pressure prediction, impulse remains 5% underestimated due to the unresolved induction zone. The proposed 2D model – using 7 species, 1 mm mesh size and inviscid flow – is then validated against a confined detonation experiment from literature. It accurately predicts detonation speed, pressure history (including shock reflections), and impulse along the 3-metre chamber. The study provides insight into the applicability and limitations of the CESE-chemistry method in confined detonation scenarios.

Process Safety and Environmental ProtectionVol. 206
Delft University of Technology (NL)
Openalex Percentile: Top 51%
Combustion and Detonation Processes
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