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Incorporation PHREEQC in programming languages
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RunString vs. RunCells
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Topic: RunString vs. RunCells (Read 939 times)
RayTherminator
Frequent Contributor
Posts: 15
RunString vs. RunCells
«
on:
April 18, 2023, 05:39:31 PM »
Hello,
I would like to clarify what is happening when a PHREEQC input string is executed with RunString.
Based on my lessons learned for instances (see
https://phreeqcusers.org/index.php/topic,2105.0.html
), calling RunString(ID,1,0,0,Str) would execute the PHREEQC command on the workers and their respective cells.
What difference does it make calling RunCells afterwards?
Do I have to differentiate here for calling of PHREEQC reactions (for which I would need to call RunCells) versus executing a SELECTED_OUTPUT definition with RunString?
Many thanks for explanation efforts.
Best Regards,
Markus
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dlparkhurst
Global Moderator
Posts: 3805
Re: RunString vs. RunCells
«
Reply #1 on:
April 18, 2023, 07:15:03 PM »
Do I have to differentiate here for calling of PHREEQC reactions (for which I would need to call RunCells) versus executing a SELECTED_OUTPUT definition with RunString?
Yes.
If your string is simply a SELECTED_OUTPUT definition, then RunString will add the SELECTED_OUTPUT definition for all of the cells, but no output would be generated.
If you ran RunString and then RunCells, then SELECTED_OUTPUT would be defined and then a reaction would be run in each cell that equilibrated the current solution in the cells with all of the equilibrium reactants (EQUILIBRIUM_PHASES, EXCHANGE, GAS_PHASE, SURFACE, SOLID_SOLUTIONS), and also integrate any KINETICS reactions for the current time step (RM_SetTimeStep). RunCells would write the data defined by SELECTED_OUTPUT to file (provided the appropriate print flags are set).
If you don't run RunString, then SELECTED_OUTPUT would not be defined.
.
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Incorporation PHREEQC in programming languages
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RunString vs. RunCells