Study of the sensitivity of coupled reaction systems to uncertainties in rate coefficients. II Applications

Journal of Chemical Physics

Volumn 59, Issue 8, 1973, Pages 3879-3888

  Schaibly, John H ^a   Shuler, Kurt E ^b  

^a General Atomics   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84953463657     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.1680572     Document Type: Article

References (7)

1. R. I. Cukier, C. M. Fortuin, K. E. Shuler, A. G. Petschek, and J. H. Schaibly, J. Chem. Phys. 59, 3873 (1973), preceding paper.
2. C. W. Gear, “The Numerical Integration of Stiff Differential Equations,” University of Illinois, Department of Computer Sciences Report No. 221, 1967.
3. The equilibrium constants were calculated from data in B. J. McBride, “Thermodynamic Properties to 6000 °K for 210 Substances Involving the First 18 Elements,” WASA, SP-3001, 1963.
4. The rate coefficients were taken from: J. C. Schexnayder and J. S. Evans, NASA Technical Report R-108, 1961.
5. H. S. Glick, J. J. Klein, and W. Squire, J. Chem. Phys. 27, 850 (1957).
6. G. B. Kistiakowski and G. G. Volpi, J. Chem. Phys. 27, 1141 (1957). We are aware that more recent “nominal” values of the various rate coefficients exist in the literature but feel that the values used in our calculations are adequate for the purpose of this paper.
7. The equilibrium constants were calculated from the data in McBride (see Ref. 2); the rate coefficients were obtained from the compilation of G. S. Bahn, Reaction Rale Compilation for the H-O-N System (Gordon and Breach, New York) 1968.