CHEMSIMUL - a tool for simulating chemical reaction systems

P. Kirkegaard, E. Bjergbakke, F. Markert

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    Abstract

    CHEMSIMUL is a computer program system for numerical simulation of chemical reaction systems. It can be used for modeling complex kinetics in many different contexts. It contains a translator module and a module for solving the resulting coupled nonlinear ordinary differential equations. A number of special features are described, in particular a method for verifying the mass balance, and the computation af reaction heat and temperature rise by thermodynamic coupling to the kinetics. Graphical output is facilitated by so-called “plot expressions”. The capabilities of CHEMSIMUL is illustrated by examples.
    Original languageEnglish
    Title of host publicationNew research and its application in industry
    Number of pages14
    PublisherSafetynet - European Network on Process Safety
    Publication date2000
    Publication statusPublished - 2000
    Event2nd Internet Conference on Process Safety -
    Duration: 20 Mar 200024 Mar 2000

    Conference

    Conference2nd Internet Conference on Process Safety
    Period20/03/200024/03/2000

    Cite this

    Kirkegaard, P., Bjergbakke, E., & Markert, F. (2000). CHEMSIMUL - a tool for simulating chemical reaction systems. In New research and its application in industry Safetynet - European Network on Process Safety.