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.
| Original language | English (Ireland) |
|---|---|
| Pages (from-to) | 119-125 |
| Number of pages | 7 |
| Journal | International Journal Of Chemical Kinetics |
| Volume | 37 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 1 Mar 2005 |
Authors (Note for portal: view the doc link for the full list of authors)
- Authors
- Rolland, S,Simmie, JM
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