Welcome to ionize’s documentation!¶

ionize is Python package for modeling electrolyte chemistry.

ionize calculates the properties of individual ionic species in aqueous solution, as well as aqueous solutions containing arbitrary sets of ions.

The ionize model is based on techniques previously demonstrated by Peakmaster, Spresso, and STEEP. The ionize model takes into account pH, ionic strength, and temperature effects, including the most up-to-date temperature model published in STEEP. The ionize object classes make these techniques directly accessible as a backend for simulations written in python.

Contents:¶

The Ion Class
The Solution Class
The NucleicAcid Class
The Protein Class
The ionize Database
The Aqueous Class
Utilities
Constants

Indices and tables¶

Index
Module Index
Search Page