A thermochemically derived global reaction mechanism for detonation application

Y. Zhu, J. Yang, M. Sun

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

A 4-species 4-step global reaction mechanism for detonation calculations is derived from detailed chemistry through thermochemical approach. Reaction species involved in the mechanism and their corresponding molecular weight and enthalpy data are derived from the real equilibrium properties. By substituting these global species into the results of constant volume explosion and examining the evolution process of these global species under varied conditions, reaction paths and corresponding rates are summarized and formulated. The proposed mechanism is first validated to the original chemistry through calculations of the CJ detonation wave, adiabatic constant volume explosion, and the steady reaction structure after a strong shock wave. Good agreement in both reaction scales and averaged thermodynamic properties has been achieved. Two sets of reaction rates based on different detailed chemistry are then examined and applied for numerical simulations of two-dimensional cellular detonations. Preliminary results and a brief comparison between the two mechanisms are presented. The proposed global mechanism is found to be economic in computation and also competent in description of the overall characteristics of detonation wave. Though only stoichiometric acetylene-oxygen mixture is investigated in this study, the method to derive such a global reaction mechanism possesses a certain generality for premixed reactions of most lean hydrocarbon mixtures.

Original languageEnglish
Pages (from-to)363-379
Number of pages17
JournalShock Waves
Volume22
Issue number4
DOIs
Publication statusPublished - 2012 Jul 1

Keywords

  • Detonation
  • Elementary reaction mechanism
  • Global reaction mechanism
  • Thermochemical property

ASJC Scopus subject areas

  • Mechanical Engineering
  • Physics and Astronomy(all)

Fingerprint Dive into the research topics of 'A thermochemically derived global reaction mechanism for detonation application'. Together they form a unique fingerprint.

Cite this