Abstract
Energy relaxation processes at a detonation wave front are studied with use of the molecular dynamics method. The model system is a hard disk system which undergoes an exothermic isomerization reaction A + S ⇄ B + S + ΔQ, where ΔQ is a reaction heat. Computations are performed for several values of the molar fraction of each species. Almost all the chemical energy of A particles is released when the detonation wave front passes. It is found that this relaxation process is composed of two kinds of time regions; one is a rapid decay process caused by non-correlated reactive collisions and the other a slow relaxation by the thermodynamic relaxation and/or the cage effect of particles.
| Original language | English |
|---|---|
| Pages (from-to) | 2955-2965 |
| Number of pages | 11 |
| Journal | journal of the physical society of japan |
| Volume | 57 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - 1988 Jan 1 |
| Externally published | Yes |
Keywords
- chemical reaction
- computer experiment
- detonation
- exothermic reaction
- hard disk system
- molecular dynamics
ASJC Scopus subject areas
- Physics and Astronomy(all)