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Nov 1994

Volume 23, Issue 6, pp. 847-1103


Evaluated Kinetic Data for Combustion Modeling. Supplement I

D. L. Baulch, C. J. Cobos, R. A. Cox, P. Frank, G. Hayman, Th. Just, J. A. Kerr, T. Murrells, M. J. Pilling, J. Troe, R. W. Walker, and J. Warnatz

J. Phys. Chem. Ref. Data 23, 847 (1994); http://dx.doi.org/10.1063/1.555953 (2 pages) | Cited 41 times

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This compilation updates and expands a previous evaluation of kinetic data on elementary, homogeneous, gas phase reactions of neutral species involved in combustion systems [J. Phys. Chem. Ref. Data 21, 411 (1992)]. The work has been carried out under the auspices of the European Community Energy Research and Development Program. Data sheets are presented for some 78 reactions and two tables in which preferred rate parameters are presented for reactions of ethyl, i‐propyl, t‐butyl, and allyl radicals are given. Each data sheet sets our relevant thermodynamic data, experimental kinetic data, references, and recommended rate parameters with their error limits. A table summarizing the recommended rate data is also given. The new reactions fall into two categories: first, to expand the previous compilation relating largely to the combustion in air of methane, ethane and aromatic compounds; and second, provide data for some of the key radicals involved in the combustion of higher alkanes.
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82.20.Pm Rate constants, reaction cross sections, and activation energies
82.33.Vx Reactions in flames, combustion, and explosions
82.20.Wt Computational modeling; simulation
82.60.Cx Enthalpies of combustion, reaction, and formation

Thermodynamics of Enzyme‐Catalyzed Reactions. Part 3. Hydrolases

Robert N. Goldberg and Yadu B. Tewari

J. Phys. Chem. Ref. Data 23, 1035 (1994); http://dx.doi.org/10.1063/1.555957 (69 pages) | Cited 1 time

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Equilibrium constants and enthalpy changes for reactions catalyzed by the hydrolase class of enzymes have been compiled. For each reaction the following information is given: The reference for the data; the reaction studied; the name of the enzyme used and its Enzyme Commission number; the method of measurement; the conditions of measurement [temperature, pH, ionic strength, and the buffer(s) and cofactor(s) used]; the data and an evaluation of it; and, sometimes, commentary on the data and on any corrections which have been applied to it or any calculations for which the data have been used. The data from 145 references have been examined and evaluated. Chemical Abstract Service registry numbers are given for the substances involved in these various reactions. There is a cross reference between the substances and the Enzyme Commission numbers of the enzymes used to catalyze the reactions in which the substances participate.
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87.15.R- Reactions and kinetics
82.60.Hc Chemical equilibria and equilibrium constants
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