{ "info": { "author": "Ryan S. Kingsbury", "author_email": "RyanSKingsbury@alumni.unc.edu", "bugtrack_url": null, "classifiers": [], "description": " \r\r\n A Python library for solution chemistry\r\r\n =======================================\r\r\n \r\r\n pyEQL is a Python library that provides tools for modeling aqueous electrolyte\r\r\n solutions. It allows the user to manipulate solutions as Python\r\r\n objects, providing methods to populate them with solutes, calculate \r\r\n species-specific properties (such as activity and diffusion coefficients),\r\r\n and retreive bulk properties (such as density, conductivity, or volume).\r\r\n \r\r\n ![](pyeql-demo.png)\r\r\n ---\r\r\n \r\r\n pyEQL is designed to be customizable and easy to integrate into projects \r\r\n that require modeling of chemical thermodyanmics of aqueous solutions.\r\r\n It aspires to provide a flexible, extensible framework for the user, with a \r\r\n high level of transparency about data sources and calculation methods. \r\r\n \r\r\n pyEQL runs on Python 3.0+ and is licensed under LGPL.\r\r\n \r\r\n Key Features\r\r\n ------------\r\r\n \r\r\n - Build accurate solution properties using a minimum of inputs. Just specify\r\r\n the identity and quantity of a solute and pyEQL will do the rest.\r\r\n \r\r\n - \"Graceful Decay\" from more sophisticated, data-intensive modeling approaches \r\r\n to simpler, less accurate ones depending on the amount of data supplied. \r\r\n \r\r\n - Not limited to dilute solutions. pyEQL contains out of the box support for \r\r\n the Pitzer Model and other methods for modeling concentrated solutions.\r\r\n \r\r\n - Extensible database system that allows one to supplement pyEQL's default\r\r\n parameters with project-specific data.\r\r\n \r\r\n - Units-aware calculations (by means of the [pint](https://github.com/hgrecco/pint) library)\r\r\n \r\r\n Documentation\r\r\n -------------\r\r\n Detailed documentation is available at \r\r\n \r\r\n Dependencies\r\r\n ------------\r\r\n - Python 3\r\r\n - [pint](https://github.com/hgrecco/pint) - for units-aware calculations\r\r\n - [scipy](https://www.scipy.org/) - for certain nonlinear equation solvers\r\r\n 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