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FormalKinetics with Applications
Author

János Tóth
Organization: Budapest University of Technology and Economics
Department: Mathematical Institute
Conference

2002 World Multiconference on Systemics, Cybernetics, and Informatics (SCI 2002)
Conference location

Orlando, FL
Description

The usual deterministic model of a complex chemical reaction is a polynomial differential equation with as many variables as the number of species. Mathematical tools called reaction network theory are known for the qualitative investigation of such systems. However, application of these results needs lengthy routine symbolic calculations.

A Mathematica package has been developed to overcome these difficulties from the input through the construction of different graphs corresponding to the reaction up to qualitative, (less automatic) quantitative, and graphical study of complex models. Our earlier programs to investigate stability (MIER 7, no. 2 (1998) 5-12) are also used.

Deconstruction of a large inorganic overall reaction, investigation of a model in pharmacokinetics, and building models for the olfactory system are shown as applications to illustrate the strength of the programs based on Mathematica.
Subjects

*Engineering > Chemical Engineering
*Science > Chemistry
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