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Kinetics with Mathematica
Generate Mathematica code for deriving simple rate laws

This tool will generate Mathematica code to derive rate laws for simple unimolecular (uniformly first order) reaction mechanisms.

  • This tool does not handle bimolecular steps.
  • The only type reactions allowed are unimolecular.
  • Example: X --> Y or X <==> Y.
  • Mathematica will not handle more than four reacting species.

Input mechanism:

Example

The above mechanism needs to be represented as follows:

A ---> B   :   k1
A ---> C   :   k2
C <==> D   :   k3  k4
References
The example is taken from Chapter 2 (pp. 41-45) of the following book:
	Korobov, V. I. and Ochkov, V. F. (2011)
	"Chemical Kinetics with Mathcad and Maple"
	Springer-Verlag, Wien

	344 p., ISBN: 978-3-7091-0530-6
  • Download the chapter from the publisher's website: link
  • Download the chapter this website: link

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Tue Nov 29 06:58:35 2016