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PKG-INFO
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Metadata-Version: 1.1
Name: ionize
Version: 0.4.0
Summary: A package for calculating electrolyte properties.
Home-page: http://lewisamarshall.github.io/ionize/
Author: Lewis A. Marshall
Author-email: lewis.a.marshall@gmail.com
License: LICENSE
Description: ======
ionize
======
A unified Python package for calculating buffer properties.
**ionize** calculates the properties of individual ionic species in
aqueous solution, as well as aqueous solutions containing arbitrary
sets of ions.
Components
=========
**ionize** is composed of three main components:
The Ion Class
-------------
The core of **ionize** is the **Ion** class, which represents a single ionic
species. An ion contains a name, a set of ionization states, and an optional
temperature parameter. Each ionization state contains a charge, a pKa, and
an absolute mobility. An ionization state may also include values for
ΔH and ΔCp of ionization to improve the accuracy of temperature
correction.
The Solution Class
------------------
The **Solution** class is used to represent an aqueous solution containing any
number of ionic species. A **Solution** contains a list of **Ion** objects, and
a second list containing the concentrations of each species. **Solution** can
also take an optional temperature parameter. **Solution** solves for pH,
iteratively accounting for the ionic strength. The ionic strength and pH are
used to calculate the properties of the **Ions**, and bulk properties of the
solution such as conductivity.
The ionize Database
-------------------
**ionize** also contains its own database, containing the combined entries of
the Spresso and STEEP databases. This database can be accessed through the
**load_ion**() and **search_ion**() functions.
Platform: UNKNOWN
Classifier: Programming Language :: Python
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v2 (GPLv2)
Classifier: Operating System :: OS Independent
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires: numpy
Requires: scipy