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Title: Prediction of half reaction length for H 2 –O 2 –Ar detonation with an extended vibrational nonequilibrium Zel'dovich −von Neumann −DÖring (ZND) model
Authors: Uy, KCK 
Shi, LS 
Wen, CY 
Issue Date: 15-Mar-2019
Source: International journal of hydrogen energy, 15 Mar. 2019, v. 44, no. 14, p. 7667-7674
Abstract: An extended Zel'dovich–von Neumann–Döring (ZND) model has been proposed to address vibrational nonequilibrium mechanism. To expand the application of this extended ZND model in predicting flow characteristics under thermal nonequilibrium for hydrogen-related detonation simulations, a case of one-dimensional stoichiometric hydrogen-oxygen detonation with argon dilution is adopted for comparative study. A vibrational relaxation timescale is introduced in the extended ZND model together with simplified single-step and two-step chemical reaction models. In addition, a numerical simulation using the conservation element and solution element (CE/SE) algorithm and detailed chemistry with vibrational nonequilibrium coupling is conducted to serve as a benchmark for the model predictions. In this specific case study, predictions of half reaction length are in good agreement with simulations if the single-step Arrhenius model and the characteristic vibrational temperature of hydrogen are used. Compared with the detailed numerical simulations, the current extended ZND model and the simplified chemical models are demonstrated feasible and economical to predict the half reaction thickness under the vibrational nonequilibrium condition and can serve as one of the analytical tools in studying large-scale H 2 –O 2 detonation.
Keywords: Detonation
Vibrational nonequilibrium
ZND model
Publisher: Pergamon Press
Journal: International journal of hydrogen energy 
ISSN: 0360-3199
EISSN: 1879-3487
DOI: 10.1016/j.ijhydene.2019.01.219
Rights: © 2019 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
©2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/
The following publication Uy, K. C. K., Shi, L. S., & Wen, C. Y. (2019). Prediction of half reaction length for H2O2Ar detonation with an extended vibrational nonequilibrium Zel'dovich− von Neumann− Döring (ZND) model. International Journal of Hydrogen Energy, 44(14), 7667-7674 is available at https://doi.org/10.1016/j.ijhydene.2019.01.219.
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