Kinetic Reaction Demo
Sat, 09/10/2011 - 10:08 am
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.
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.
- Experiments: KineticReactionDemo
- Procedure Files: none
- XOPS: none
- Requires Packages: NONE*
- Benefits From: NONE
- Help Files: none
- Documentation: internal notebook for the experiment demo
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.
Current Project Release
|Version Date:||Tue, 09/13/2011 - 09:20 am|
|Version Patch Level:||1|
|OS Compatibility:||Windows Mac-Intel|
Igor Pro 9
Igor XOP Toolkit
Igor NIDAQ Tools MX
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