Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 21st October 2020 from 07:00 AM to 07:00 PM (BST).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 23, 2018
Previous Article Next Article

Explosion limits of hydrogen–oxygen mixtures from nonequilibrium critical points

Author affiliations

Abstract

The explosion limits of hydrogen–oxygen mixtures are macroscopic, temperature–pressure boundaries that divide the overall chemistry of hydrogen oxidation into slow-burning and explosive regimes. Here, we demonstrate that it is possible to recover the three chemical explosion limits of H2/O2 mixtures from nonequilibrium stochastic trajectories. This demonstration relies on the finding that, in explosive regimes, these trajectories have the quantitative features of a dynamical phase transition. Through computer simulations for both a generic and a reduced model for hydrogen oxidation, we find only one dominant reactive phase at temperatures below the explosion limits. At temperatures above the limits, however, a second phase transiently emerges from the chemistry. By locating the pseudo-critical temperature where two reactive phases are distinguishable, we construct all three explosion-limit boundaries for model hydrogen–oxygen mixtures of finite size.

Graphical abstract: Explosion limits of hydrogen–oxygen mixtures from nonequilibrium critical points

Back to tab navigation

Article information


Submitted
07 Feb 2018
Accepted
23 May 2018
First published
24 May 2018

Phys. Chem. Chem. Phys., 2018,20, 15746-15752
Article type
Paper
Author version available

Explosion limits of hydrogen–oxygen mixtures from nonequilibrium critical points

L. B. Newcomb, M. E. Marucci and J. R. Green, Phys. Chem. Chem. Phys., 2018, 20, 15746
DOI: 10.1039/C8CP00905H

Social activity

Search articles by author

Spotlight

Advertisements