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Pytzer is a Python implementation of the Pitzer model for chemical activities in aqueous solutions [P91] plus solvers to determine the equilibrium state of the system.

Pytzer is in beta! Use at your own peril.

• Pytzer
  • Installation
    • For general use
  • Documentation
  • Citation

Install with pip (any OS):

pip install pytzer

On Mac or Linux, you can alternatively install from conda-forge:

conda install conda-forge::pytzer

However, the above will not work on Windows, because jax is not on conda-forge for Windows - so use pip instead.

Once installed, you will need to set the environment variableJAX_ENABLE_X64=True. For example, using conda:

conda env config vars set JAX_ENABLE_X64=True

A work in progress atpytzer.hseao3.group.

Pytzer is maintained byDr Matthew P. Humphreys at theNIOZ Royal Netherlands Institute for Sea Research (Texel, the Netherlands).

For now, the appropriate citation is:

Humphreys, Matthew P. and Schiller, Abigail J. (2024). Pytzer: the Pitzer model for chemical activities and equilibria in aqueous solutions in Python (beta).Zenodo.doi:10.5281/zenodo.2637914.

Please report which version of Pytzer you are using. You can find this in Python with:

importpytzeraspzpz.hello()