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Vol. 28 No. 1
January-February 2006

Making an imPACt | Recent IUPAC technical reports and recommendations that affect the many fields of pure and applied chemistry.
See also www.iupac.org/publications/pac

Evaluated Kinetic Data for Combustion Modeling: Supplement II

D.L. Baulch, et al.

Journal of Physical and Chemical Reference Data
Vol. 34, No. 3, pp. 757–1397 (2005)
doi:10.1063/1.1748524

This compilation updates and expands two previous evaluations of kinetic data on elementary, homogeneous, and gas phase reactions of neutral species involved in combustion systems [J. Phys. Chem. Ref Data 21, 411 (1992); 23, 847 (1994)]. The work has been carried out under the auspices of the IUPAC Commission on Chemical Kinetics and the UK Engineering and Physical Sciences Research Council. Individual data sheets are presented for most reactions, but the kinetic data for reactions of C2, C, ethyl, i-propyl, t-butyl, and allyl radicals are summarized in tables. Each data sheet sets out relevant thermodynamic data, experimental kinetic data, references, recommended rate parameters with their error limits, and a brief discussion of the reasons for their selection. Where appropriate, the data are displayed on an Arrhenius diagram or by fall-off curves. Tables summarizing the recommended rate data and the thermodynamic data for the reactant and product species are given and their sources referenced. As in the previous evaluations, the reactions considered relate largely to the combustion in air of organic compounds containing up to three carbon atoms and simple aromatic compounds. Thus, the database has been expanded, largely by dealing with a substantial number of extra reactions within these general areas.


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