PumpKin: A tool to find principal pathways in plasma chemical models
ORAL
Abstract
Recent kinetic models of atmospheric chemistry or of many industrial processes contain thousands of chemical reactions and species. The reactions depend on timescales, electric fields, temperature, pressure etc. We have developed a software tool called PumpKin (\underline {\textbf{p}}athway red\underline {\textbf{u}}ction \underline {\textbf{m}}ethod for \underline {\textbf{p}}lasma \underline {\textbf{kin}}etic models) to find all principal pathways in such complex plasma chemistry models, i.e. the dominant reaction sequences. PumpKin is a universal tool, inspired by [Lehmann, \textit{J Atmos Chem} \textbf{41}, 297 (2002)]. It requires to define and to run once a complete plasma kinetics solver, e.g. ZDPlasKin [http://www.zdplaskin.laplace.univ-tlse.fr], up to the time of interest. The stoichiometric matrix of the system, the reaction rates and the temporal profile of the species densities are the input for PumpKin to systematically identify the principal pathways.
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Authors
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Aram H. Markosyan
CWI, Amsterdam, The Netherlands, Centrum Wiskunde and Informatica, Amsterdam
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Alejandro Luque
Instituto de Astrofsica de Andaluca (IAA CSIC), Spain
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Francisco J. Gordillo V\'azquez
Instituto de Astrofsica de Andaluca (IAA CSIC), Spain
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Ute Ebert
CWI, Amsterdam, The Netherlands, Centrum Wiskunde and Informatica, Amsterdam