Metadata-Version: 1.1
Name: pyEQL
Version: 0.5
Summary: A Python library for solution chemistry
Home-page: https://github.com/rkingsbury/pyEQL
Author: Ryan S. Kingsbury
Author-email: RyanSKingsbury@alumni.unc.edu
License: GNU Lesser General Public License v3 (LGPLv3)
Description: ![](pyeql-logo.png)

        

        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-demo.png)

        ---

        

        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](https://github.com/hgrecco/pint) library)

        

        Documentation

        -------------

        Detailed documentation is available at <https://pyeql.readthedocs.io/>

        

        Dependencies

        ------------

         - Python 3

         - [pint](https://github.com/hgrecco/pint) - for units-aware calculations

         - [scipy](https://www.scipy.org/) - 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
