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ChemistryPhysical Chemistry

COMPUTER STUDIES OF REACTION PROFILES IN GAS DETONATIONS,

Authors: J. E. Dove; B. J. Scroggie; T. D. Tribbeck; TORONTO UNIV (ONTARIO) DEPT OF CHEMISTRY
Abstract:
A computer program has been written which numerically integrates the chemical reaction rate equations through the conditions behind a steady-state shock wave. This program has been applied to the calculation of profiles of temperature, pressure, density and concentration in unidimensional detonations in stoichiometric hydrogen-oxygen mixtures, using the Zeldovich-Doring-von Neumann model. Initial pressures were in the range 30-760 torr, and the initial temperature was 300K. Twenty-six elementary reactions involving the chemical species H2, O2, H2O, HO2, OH, H, and O were taken into account in the integration. Data on the rates of the chemical reactions were obtained from the literature. Induction periods and reaction times obtained from the profiles were compared with experimental determinations, and it was found that the computed rates appear to be faster than is observed experimentally. Some possible reasons for this difference are discussed. (Author)

Pages: 12
Report Date: 08 MAR 1968
Report Number: 0527896

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Keywords relating to this report:
(*DETONATIONS
(*SHOCK WAVES
_*DETONATIONS
_*SHOCK WAVES
ATOMS
CANADA
COMPUTER PROGRAMS
DETONATION WAVES
HYDROGEN
OXYGEN
REACTION KINETICS_
WATER
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