Pitzer model for chemical activities in aqueous solutions
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.
For general use
Install with pip:
pip install pytzer
Note that you should also install the dependencies (especially NumPy) using pip, not conda, for best performance. This happens automatically with the above command if the dependencies are not already installed.
Once installed, you will need to set the environment variable
JAX_ENABLE_X64=True. For example, using conda:
conda env config vars set JAX_ENABLE_X64=True
Use the environment.yml file to create a new environment with Conda:
conda env create -f environment.yml
Then, fork and/or clone this repo to somewhere that your Python can see it.
A work in progress at pytzer.readthedocs.io.
For now, the appropriate citation is:
Humphreys, Matthew P. and Schiller, Abigail J. (2021). 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:
import pytzer as pz pz.hello()
Release history Release notifications | RSS feed
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
|Filename, size||File type||Python version||Upload date||Hashes|
|Filename, size Pytzer-0.5.2-py3-none-any.whl (101.1 kB)||File type Wheel||Python version py3||Upload date||Hashes View|
|Filename, size Pytzer-0.5.2.tar.gz (86.8 kB)||File type Source||Python version None||Upload date||Hashes View|