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Fix_Ca
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Topic: Fix_Ca (Read 993 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: 3086
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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