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Vitens / phreeqpython

Object-oriented python wrapper for the VIPhreeqc module
Apache License 2.0
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modify variables during reaction steps #36

Open RyanConway91 opened 1 year ago

RyanConway91 commented 1 year ago

I want to couple PHREEQC with a 3D groundwater flow and solute transport model. The 3D groundwater flow and solute transport model has API that should make this possible.

Basically I want to do this: for each reaction/transport step:

  1. calculate the geochemistry in all model cells of the 3D groundwater model using PHREEQC
  2. pass these results from PHREEQC to the 3D groundwater flow model using the APIs of the models
  3. Simulate non-reactive transport of the species in the 3D model
  4. pass these results from the 3D groundwater flow model back to PHREEQC to the using the APIs of the models
  5. repeat

Can I do this with phreeqpython? I did not see any examples of modifying variables during a run.

AbelHeinsbroek commented 1 year ago

Hi Ryan,

You might want to look into using PhreeqcRM, which was specifically made to be integrated with transport simulators, there may even be an existing module for the 3D model you use? I have no experience using transport models and PhreeqcRM though.