Journal of Atmospheric Chemistry

, Volume 41, Issue 3, pp 297–314

Determination of Dominant Pathways in Chemical Reaction Systems: An Algorithm and Its Application to Stratospheric Chemistry

  • Ralph Lehmann
Article

DOI: 10.1023/A:1014927730854

Cite this article as:
Lehmann, R. Journal of Atmospheric Chemistry (2002) 41: 297. doi:10.1023/A:1014927730854

Abstract

The analysis of complex chemical reaction systems is frequently complicatedbecause of the coexistence of fast cyclic reaction sequences and slower pathways that yield a net production or destruction of a certain species of interest.An algorithm for the determination of both these types of reaction sequences (in a given reaction system) is presented. Under the assumption that reaction rates are known, it finds the mostimportant pathways by solving a linear optimization problem for each of them.This algorithm may be used as a tool for the interpretation of chemical model runs.For illustration, it is applied to examples in stratospheric chemistry, including the determination of catalytic ozone destruction cycles.

chemical pathway analysis reaction sequences catalytic ozone destruction 

Copyright information

© Kluwer Academic Publishers 2002

Authors and Affiliations

  • Ralph Lehmann
    • 1
  1. 1.Alfred Wegener Institute for Polar and Marine ResearchPotsdamF.R. Germany

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