Changing boundary condition for chemistry in EOS3, TOUGHREACT

Dear all,

I would appreciate it very much any help with the following:

In the problem I model I use constant concentration chemical boundary condition, which I represent by a very large volume cell containing a certain water. I would like to be able to change the composition of that water at a certain point in time during the calculation. Would anybode know how best this can be achieved?

Best regards,


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  • Dear Mapek,

    I would suggest to let your simulation run until your change point, then change the composition of your boundary cell manually in the savechem=inchem file, and then finally restart your simulation. Indeed this may look a little bit unclear in the file, but in general it should work. Maybe there is a more elegant solution to your problem, but at least it should work.

    Regards, Lennard

  • Thank you Lennard, I will try that.


    Best regards,


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