This is a basic chemical kinetics solver for chemkin style mechanisms.
Over time it may develop into a more complete package, however for now it
will be developped on a "as personally required" basis.
The initial logical basis was an in house code in C written by one of my
supervisors for a fortran based ODE solver called Sprint.
This code has since developped into a better structured products which is
more adaptable to personal requirements through the extensive use of
Suggestions for functions are welcome, however please bear in mind that I
am neither a programmer or chemist by profession.
(Getting better at both though)
This solver draws on the Intel ODE library for solving the appropriate
ordinary differential equations. however in theory any other solver may
be used to solve the system of ODEs. I have done my best to use self
contained functions, hence modifying the code should not be too difficult
- though it may be tedious to step through some of my comments.
The library is NOT included with the distribution and has to be downloaded
separately from the Intel Website.
If you know of any similarly good, fast and stable ODE solvers available
that are as easily called and may be distributed with the project, you are
weclome to submit a suggestion to change the solver.
This should be as "ready to use" as possible - ideally precompiled into an
easily called library.
The latest binary called "Chemical Kinetics Solver Ivy Bridge" has been
built with TDM-GCC 4.9.2 using -march=native on an Ivy Bridge i7.
It is thus optimised on an Ivy Bridge CPU which gained me significant
Finally, a word on the licence:
These files are licensed under a "Creative Commons Attribution
Non-Commercial License V2.0.
This means you may use these files in any way or form, including modifying
them as long as it is for noncommerical purposes. The only requirement is
attribution to the source.
If you would like to use any of my work for a commercial purpose, please
feel free to contact me about it.