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A Python library for solution chemistry

Project description

A Python library for solution chemistry

pyEQL is a Python library that provides tools for modeling aqueous electrolyte
solutions. It allows the user to manipulate solutions as Python
objects, providing methods to populate them with solutes, calculate
species-specific properties (such as activity and diffusion coefficients),
and retreive bulk properties (such as density, conductivity, or volume).


pyEQL is designed to be customizable and easy to integrate into projects
that require modeling of chemical thermodyanmics of aqueous solutions.
It aspires to provide a flexible, extensible framework for the user, with a
high level of transparency about data sources and calculation methods.

pyEQL runs on Python 3.0+ and is licensed under LGPL.

Key Features

- Build accurate solution properties using a minimum of inputs. Just specify
the identity and quantity of a solute and pyEQL will do the rest.

- "Graceful Decay" from more sophisticated, data-intensive modeling approaches
to simpler, less accurate ones depending on the amount of data supplied.

- Not limited to dilute solutions. pyEQL contains out of the box support for
the Pitzer Model and other methods for modeling concentrated solutions.

- Extensible database system that allows one to supplement pyEQL's default
parameters with project-specific data.

- Units-aware calculations (by means of the [pint]( library)

Detailed documentation is available at <>

- Python 3
- [pint]( - for units-aware calculations
- [scipy]( - for certain nonlinear equation solvers

Keywords: thermodynamics chemistry chemical equilibrium desalination MinEQL ChemEQL PHREEQC
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Software Development :: Libraries
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.2
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5

Project details

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