I am looking for a software (better if open source or freeware) that, given a reaction model (enzymatic, sequential reactions or even a cycle), starting concentrations of the species involved and the reaction rate constants, simulates the changes of all the involved species over time.
Something like SpecFit that I used several years ago (just the simulation function, not the full data interpolation functions).
Thanks,
Gianluca
The Cantera software package is often used to model chemical kinetics. It has a wide variety of built in models but you can add your own rate model as well.
I've been using Gepasi for quite a long time and I'm very happy with it, very user friendly. I know there are several other options but I don't know them first hand. All the best.
http://www.gepasi.org/
You might want to look at DynaFit (http://www.biokin.com/dynafit/).
It is free for academic use and is great for simulating concentration vs time data from small kinetic models or fitting rate coefficients to experimental results.
I use Chemkin and Cantera as well but they are more directed at large gas-phase kinetic models than what I think you're looking for here.
Thank you for your replies.
DynaFit seems to fit better to my needs. I'll give it a try. It seems that it has a steep learning curve since it requires its own scripting language to set up the simulation.
Was not able to install Gepasi on a Win7 system.
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