Chemical Kinetics Solver Updated

Chemical Kinetics Solver Updated

Submitted by Detlev Conrad … on Thu, 01/24/2013 - 12:24

After a fair bit of time, my Chemical Kinetics Solver has been updated.

The changes are primarily "under the hood", but some changes in input handling are also included with the update. In addition, work on a more detailed documentation has begun, however it is quite empty as of now.

The project can be found at https://sourceforge.net/projects/chekinsol/

A couple of words about the project are also available here: http://detlevcm.eu/content/basic-chemical-kinetics-solver

Updates Include:
- internal use of moles/l to ensure meaningful use of tolerances
- a crude mechanism reduction facility
- the ability to make a scheme irreversible from a reversible scheme (requires thermodynamic data)
- modified output handling (input is "buffered" in RAM) 

Known Issues:
- performance is "not very good" (read bad, though it used to be worse)

Comments and critique are welcome.