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How to perform sequential equilibrations with Solution Spread
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Topic: How to perform sequential equilibrations with Solution Spread (Read 1414 times)
peterwadeuk
Top Contributor
Posts: 47
How to perform sequential equilibrations with Solution Spread
«
on:
February 23, 2021, 05:13:34 PM »
Greetings good people,
I apologise for the basic nature of this question, I haven't used PHREEQC for a while and someone asked me to help with a problem.
The attached pqi file has SOLUTION_SPREAD defined for a host of entities, some of which are not in much used databases. That is not the problem we are experiencing.
We follow up with EQUILIBRIUM_PHASES statements, and find that PHREEQC only executes the first one.
How are we bungling the format of the input?
All the best,
Peter
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dlparkhurst
Top Contributor
Posts: 3712
Re: How to perform sequential equilibrations with Solution Spread
«
Reply #1 on:
February 23, 2021, 05:53:57 PM »
Yes, by default, PHREEQC will take the first solution and the first equilibrium phases (before an END) and only do one reaction calculation that equilibrates the solution with the equilibrium phases.
The trick is to use RunCells. Here is the way I set up the problem. Because all of the equilibrium phases definitions are the same, you can define them in one data block. I used lots of END statements to avoid the default reaction calculation.
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peterwadeuk
Top Contributor
Posts: 47
Re: How to perform sequential equilibrations with Solution Spread
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Reply #2 on:
February 24, 2021, 09:44:33 AM »
Thank you very much, David.
A great day to you.
Peter
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lmanouki
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Posts: 1
Re: How to perform sequential equilibrations with Solution Spread
«
Reply #3 on:
August 27, 2024, 07:17:06 PM »
Is there any way you can make these files downloadable again, please?
Thanks!
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How to perform sequential equilibrations with Solution Spread