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.
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.
Images:
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 (29.86 KB) |
| Version: | IGOR.6.20.x-1.1 |
| Version Date: | |
| Version Major: | 1 |
| Version Patch Level: | 1 |
| OS Compatibility: | Windows Mac-Intel |
| Release Notes: |
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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.
December 18, 2018 at 09:42 am - Permalink