search

Vitens / phreeqpython

Object-oriented python wrapper for the VIPhreeqc module
Apache License 2.0
68 stars 19 forks source link

Activity coefficient? #24

Open trinberg opened 1 year ago

trinberg commented 1 year ago

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 commented 1 year ago

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 commented 1 year ago

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

trinberg commented 1 year ago

Ah, yes! thank you! Sorry I missed that

AbelHeinsbroek commented 1 year ago

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.