Abstract
This book discusses many complicated algorithms for the investigation and reduction of simulation models based on detailed reaction mechanisms. Fortunately, computer codes are readily available to facilitate the application of most of the methods described in this book. A large number of these codes have been made freely available for teaching and academic research. Many commercial codes (usually with good support) are also offered for these tasks, and for most commercial codes, academic licences are available at a lower cost than commercial ones. In this chapter we introduce a range of such computer programs which are organised according to the following categories: (1) general simulation codes in reaction kinetics, (2) special codes for the simulation of gas kinetic systems, (3) programs for the analysis and reduction of reaction mechanisms, (4) programs for the investigation of biological reaction kinetic systems (“systems biology codes”) and finally (5) codes for global uncertainty analysis. In all cases the basic features of the codes are discussed and a reference to the availability is given.
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Turányi, T., Tomlin, A.S. (2014). Computer Codes for the Study of Complex Reaction Systems. In: Analysis of Kinetic Reaction Mechanisms. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-44562-4_9
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DOI: https://doi.org/10.1007/978-3-662-44562-4_9
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