A Molecular Dynamics Study of an Exothermically Reacting System; The Effects of Finite Lifetime Activated Complex on the Structure of the Detonation Wave Front

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Abstract

The detonation wave propagation phenomena in an exothermically reacting hard disk system are studied using the molecular dynamics method. The model reaction is A⇆A *⇆B type exothermic isomerization reaction, where A* corresponds to an activated complex. The detonation propagation mechanism and the relaxation processes at the wave front are compared with those of the similar reaction system with no activated complex, A⇆B.The existence of the activated complex A* does not change the essentials of the propagation mechanism but changes the structure of the wave front.

Original languageEnglish
Pages (from-to)831-837
Number of pages7
Journaljournal of the physical society of japan
Volume58
Issue number3
DOIs
Publication statusPublished - 1989 Jan 1
Externally publishedYes

Keywords

  • chemical reaction
  • computer experiment
  • detonation
  • exothermic reaction
  • hard disk system
  • molecular dynamics

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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