CHEMSIMUL: A simulator for chemical kinetics

P. Kirkegaard, E. Bjergbakke

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    CHEMSIMUL is a computer program system for numerical simulation of chemical reaction systems. It can be used for modeling complex kinetics in many contexts, in particular radiolytic processes with pulse trains. It contains a translator module and a module for solving the resulting coupled nonlinear ordinary differential equations. An overview of the program system is given, and its use is illustrated by examples. A number of special features are described, in particular a method for verifying the mass balance. Moreover, the document contains a complete User’s Guide for running CHEMSIMUL on a PC or another computer. Finally, the mathematical implementation is discussed.
    Original languageEnglish
    Place of PublicationRoskilde
    PublisherRisø National Laboratory
    Number of pages32
    ISBN (Print)87-550-2474-2
    ISBN (Electronic)87-550-2475-0
    Publication statusPublished - 1999
    SeriesDenmark. Forskningscenter Risoe. Risoe-R


    • Risø-R-1085
    • Risø-R-1085(EN)

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