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Activity coefficient? #24

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trinberg opened this issue Dec 8, 2022 · 4 comments
Open

Activity coefficient? #24

trinberg opened this issue Dec 8, 2022 · 4 comments

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@trinberg
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trinberg commented Dec 8, 2022

Hi there! I just wanted to quickly ask: what's the function to pull out the activity of water? Clearly PHREEQC outputs this as you can see in the image below (at least with the PHREEQ database), but I just can't seem to find the right function with the python wrapper.

Thanks so much for your help with this - I am extremely grateful for this package!

phreeq_image

@trinberg
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trinberg commented Dec 8, 2022

Sorry for the quick follow up, but would be interested to know how to get the density and volume too!

And is there a way to get the activity coefficient for the particular species? Like hydroxide?

Thank you!

@uliw
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uliw commented Dec 8, 2022

solution.activity("H+") like this?

@trinberg
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trinberg commented Dec 8, 2022

Ah, yes! thank you! Sorry I missed that

@AbelHeinsbroek
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Hi @trinberg

You can get the mass of a solution using solution.mass, I'll need to add a method to get the volume from a solution as well. With those 2 you can calculate the density yourself.

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