Prediction of half reaction length for H 2 –O 2 –Ar detonation with an extended vibrational nonequilibrium Zel'dovich −von Neumann −DÖring (ZND) model

Ken Chun Kit Uy, Li Song Shi, Chih Yung Wen

Research output: Journal article publicationJournal articleAcademic researchpeer-review

11 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)7667-7674
Number of pages8
JournalInternational Journal of Hydrogen Energy
Issue number14
Publication statusPublished - 15 Mar 2019


  • Detonation
  • vibrational nonequilibrium
  • ZND model

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Fuel Technology
  • Condensed Matter Physics
  • Energy Engineering and Power Technology


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