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Create a SURFACE for sorption in phreeqpython #11

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ELarrea587 opened this issue Jul 3, 2020 · 3 comments
Open

Create a SURFACE for sorption in phreeqpython #11

ELarrea587 opened this issue Jul 3, 2020 · 3 comments

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@ELarrea587
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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
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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
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behzaadh commented Nov 25, 2020

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
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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!

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4 participants