[SciPy-user] integrate.odeint , stiff chemical equations and mass conservation -any hint?

Joshua Stults joshua.stults@gmail....
Wed Jun 3 09:16:58 CDT 2009


I didn't mean for you to write your own integrator, just linked to the
paper to provide a little inspiration on how folks have solved similar
problems before.  Sorry for increasing rather than decreasing the
confusion.

On Wed, Jun 3, 2009 at 10:07 AM, ms <devicerandom@gmail.com> wrote:
> Joshua Stults ha scritto:
>> I think the standard way to "fix" stiff problems is to go to implicit
>> time-stepping.
>>
>> Here's a nice write-up about using implicit time-stepping for chemical kinetics:
>> http://www.osti.gov/bridge/servlets/purl/45627-eDTnun/webviewable/45627.pdf
>>
>> It's over a decade old, but might give you some hints on how to solve
>> your problem.
>>
>> If you are integrating the system accurately you should be conserving
>> mass, even with big implicit time-steps, your production and loss
>> terms should balance at each step.
>
> I'm confused, this thing is getting much worse than I could imagine.
> Does it mean I have to rewrite the integrator myself and that odeint is
> not good in this case?
>
> I would use CHEMSODE, but it seems unavailable on the web, I only can
> find the paper.
>
> I'll give a spin to pydstool, then let's see...
>
> m.
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-- 
Joshua Stults
Website: http://j-stults.blogspot.com


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