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Direct Monte Carlo simulation of chemical reaction systems: Prediction of ultrafast detonations
 

Summary: Direct Monte Carlo simulation of chemical reaction systems:
Prediction of ultrafast detonations
James B. Anderson
Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802
Lyle N. Long
Department of Aerospace Engineering, Pennsylvania State University, University Park, Pennsylvania 16802
Received 12 June 2002; accepted 19 November 2002
Ultrafast detonations having steady-state velocities greater than predicted by the Chapman­Jouguet
C­J and the Zeldovich­von Neumann­Do¨ring ZND theories are predicted by direct simulations
of detonation waves in gaseous reaction systems. The simulations are made using Bird's direct
simulation Monte Carlo method which produces the full details of the coupled gas-dynamic and
reaction effects as well as temperature, velocity, density, pressure, and species profiles for the
detonation waves. The systems are simplified and clarified by restriction to one-dimensional flow
with the reaction A MB M having variable energy release and rate characteristics. For a slow
reaction the reaction and shock regions are separated and the detonation wave proceeds at the
forward speed of sound in the burned gas as predicted by the C­J and ZND theories. For a very fast
reaction the reaction and shock waves overlap, the assumptions required for the C­J and ZND
theories are no longer valid, the von Neumann spike is reduced, and the detonation velocity exceeds
that predicted by the C­J and ZND theories to produce an ultrafast detonation. © 2003 American
Institute of Physics. DOI: 10.1063/1.1537242

  

Source: Anderson, James B. - Department of Chemistry, Pennsylvania State University

 

Collections: Chemistry