PyEquIon: A Python Package For Automatic Speciation Calculations of Aqueous Electrolyte Solutions

pyEQL: A Python interface for water chemistry

“…However, they are not highly accessible for routine use by others, due to a steep learning curve, difficult interoperability with other tools (such as external transport models), the lack of a freely-available version, and/or limitation to specific operating systems. Several python interfaces to the open-source PHREEQC software exist, including IPhreeqC (Parkhurst & Appelo, 2013), phreeqpython (https://github.com/ Vitens/phreeqpython), and pyeqion2 (Marcellos et al, 2021). However, these interfaces are either not object-oriented, poorly documented, and/or only offer access to only a limited subset of the PHREEQC parameter databases.…”