Kinetic Reaction Demo

Overview

This package is a demo that was created for a class in chemical kinetics. It illustrates the behavior of a chemical reaction network A <--> I --> P under various settings of rate constants, equilibrium conditions, and temperature.

Example screenshot of Kinetics Demo Package.
 

Features

Use the checkboxes to turn on / off equilibrium of the first reaction and running the second reaction.
 

Use set variable inputs to change pre-factors, activation energies, and reaction enthalpy. Use a slider to set the equilibrium constant or reaction temperature.

Distribution Details

 

 

  • Experiments: KineticReactionDemo
  • Procedure Files: none
  • XOPS: none
  • Requires Packages: NONE*
  • Benefits From: NONE
  • Help Files: none
  • Documentation: internal notebook for the experiment demo

User Notes

The curves are calculated using a numerical integration routine. Sometimes, the code hangs (at least on my system). The source of this problem is under investigation.

Project Details

Project CVS: http://svn.igorexchange.com/viewvc/packages/KineticReactionDemo/

Current Project Release

KineticReactionDemo IGOR.6.20.x-1.1

Release File: KineticReactionDemo-IGOR.6.20.x-1.1.zip
Version: IGOR.6.20.x-1.1
Version Date: Tue, 09/13/2011 - 09:20 am
Version Major: 1
Version Patch Level: 1
OS Compatibility: Windows Mac-Intel
Release Notes:

Overview

 


Bug Fix: wave AIP now has 3 columns, not 4 -- integration should be less prone to hanging

 

View All Releases

I see you are using IntegrateODE/M=1. It is not uncommon for chemical kinetic systems to be stiff- if you can find a set of parameters that "hangs" try it with /M=3.

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