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Vitens / phreeqpython

Object-oriented python wrapper for the VIPhreeqc module
Apache License 2.0
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Create a SURFACE for sorption in phreeqpython #11

Open ELarrea587 opened 4 years ago

ELarrea587 commented 4 years ago

Hello, I am modeling the sorption of dissolved metals to ferrihydrite surfaces. Is there a way to use this code to access the SURFACE functionality of PHREEQC? Is there a method to create a surface or a work-around function? Thank you for time!

martinwk commented 4 years ago

You could always use pp.ip.run_str to define your surface in normal PHREEQC code. Only drawback is that you cannot access the properties of the surface directly. You can only assert the concentration of surface species in the solution if you access the species attribute of a Solution instance. But not the charge on the surface and all those other things phreeqc calculates about the surface for you.

behzaadh commented 3 years ago

You could always use pp.ip.run_str to define your surface in normal PHREEQC code. Only drawback is that you cannot access the properties of the surface directly. You can only assert the concentration of surface species in the solution if you access the species attribute of a Solution instance. But not the charge on the surface and all those other things phreeqc calculates about the surface for you.

Could you please share your code if you have an example?

UKOCM001 commented 5 months ago

Hello! Has anyone managed to do this, in terms of modelling sorption of metals to various surfaces with phreeqpython? Or has anyone got an alternative solution they are willing to share? Thank you!