Dear Justin,   Luckily the ...

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Dear Justin,

 

Luckily the US Geolical Survey (USGS) has made fascinating work related to models in hydro geochemistry. Also, the literature gives ample references about the modelisation of complex ground water systems and the simulation of water quality fluctuations.

You may want  to look up the free calculators developed by the USGS, in particular "phreeqc". https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/

Various instituions and companies have developed powerfull software that run on the phreeqc or proprietary calculators. Some are free.

Exemples

http://www.aqion.de/

https://www.gwb.com/tutorials.php

https://vminteq.lwr.kth.se/

So there are plenty of resources out there. Trust you will find a solution for your great project.

Please keep us posted about your progress.

Kind regards