Abstract
The computation of the reverse rate of an elementary reaction given the forward rate and requisite thermodynamic data is well established. Nevertheless the procedure is extremely laborious and error prone, in particular, when large numbers of such calculations must be performed and the results fitted to traditional or extended forms of the Arrhenius rate constant equation. We have developed a software application, CHEMRev, which automatically performs such computations for Chemkin-style reaction mechanisms. (C) 2005 Wiley Periodicals, Inc. Int.
Year of Publication
2005
Journal
International Journal of Chemical Kinetics
Volume
37
Number of Pages
119-125
ISBN Number
0538-8066
Accession Number
WOS:000227136500001
DOI
10.1002/kin.20049
Alternate Journal
Int J Chem Kinet