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Author Topic: Fix_Ca  (Read 880 times)

Flopi

  • Top Contributor
  • Posts: 26
Fix_Ca
« on: February 12, 2020, 02:43:38 PM »
Dear forum,
I am trying to use Fix_Ca to control the activity of my solution of an mineral stability diagram. My issue is that since it adds Ca+2 without counter ions, it messes up with the pH and the pe by forcing water to react to create these counterions. I tried with CaCl2 instead of Ca+2 in Fix_Ca but then the Ca+2 activity is not well constrained anymore.

Any way to control precisely Ca+2 activity without messing up with electroneutrality ?
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dlparkhurst

  • Top Contributor
  • Posts: 2823
Re: Fix_Ca
« Reply #1 on: February 12, 2020, 04:14:45 PM »
This script fixes the activity of the Ca+2 ion.

Code: [Select]
PHASES
Fix_Ca+2
Ca+2 = Ca+2
log_k 0
END
SOLUTION
EQUILIBRIUM_PHASES
Fix_Ca+2  -3 CaCl2 10
END
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Flopi

  • Top Contributor
  • Posts: 26
Re: Fix_Ca
« Reply #2 on: February 12, 2020, 04:51:36 PM »
Once again, you save my life :)
Thanks a lot for your rapidity and your efficiency !
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