Wang, C.J. and Wen, Jennifer X. (2017) Numerical simulation of flame acceleration and deflagration-to-detonation transition in hydrogen-air mixtures with concentration gradients. International Journal of Hydrogen Energy, 42 (11). pp. 7657-7663. doi:10.1016/j.ijhydene.2016.06.107 ISSN 0360-3199.

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Abstract

The present study aims to test the capability of our newly developed density-based solver, ExplosionFoam, for flame acceleration (FA) and deflagration-to-detonation transition (DDT) in mixtures with concentration gradients which is of important safety concern. The solver is based on the open source computational fluid dynamics (CFD) platform OpenFOAM® and uses the hydrogen-air single-step chemistry and the corresponding transport coefficients developed by the authors. Numerical simulations have been conducted for the experimental set up of Ettner et al. [7], which involves flame acceleration and DDT in both homogeneous hydrogen-air mixture as well as an inhomogeneous mixture with concentration gradients in an obstucted channel. The predictions demonstrate good quantitative agreement with the experimental measurements in flame tip position, speed and pressure profiles. Qualitatively, the numerical simulations have reproduced well the flame acceleration and DDT phenomena observed in the experiment. The results have revealed that in the computed cases, DDT is induced by the interaction of the precursor inert shock wave with the wall close to high hydrogen concentration rather than with the obstacle. Some vortex pairs appear ahead of the flame due to the interaction between the obstacles and the gas flow caused by combustion-induced expansion, but they soon disappear after the flame passes through them. Hydrogen cannot be completely consumed especially in the fuel rich region. This is of additional safety concern as the unburned hydrogen can be potentially re-ignited once more fresh air is available in an accidental scenario, resulting in subsequent explosions.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry T Technology > TP Chemical technology
Divisions:	Faculty of Science, Engineering and Medicine > Engineering > Engineering
Library of Congress Subject Headings (LCSH):	Hydrogen, Hydrogen flames , Hydrogen--Safety measures
Journal or Publication Title:	International Journal of Hydrogen Energy
Publisher:	Elsevier BV
ISSN:	0360-3199
Official Date:	16 March 2017
Dates:	Date Event 16 March 2017 Published 28 June 2016 Available 10 June 2016 Accepted 24 February 2016 Submitted
Volume:	42
Number:	11
Page Range:	pp. 7657-7663
DOI:	10.1016/j.ijhydene.2016.06.107
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Date of first compliant deposit:	26 August 2016
Date of first compliant Open Access:	28 June 2017
Funder:	Guo jia zi ran ke xue ji jin wei yuan hui (China) [National Natural Science Foundation of China] (NSFC), China. Gong an bu [China. Ministry of Public Security], Marie Curie International Postdoctoral Fellowship
Grant number:	51376174 (NSFC), 254658 (Marie Curie)

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