chemicals: Chemical properties component of Chemical Engineering Design Library (ChEDL)
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.. meta::
:google-site-verification: wcmDZ88ikLzq1to6urRDGA6R7oIhzya2sN5hOeV1zZw
Key Features & Capabilities
---------------------------
The chemicals library features an extensive compilation of pure component
chemical data that can serve engineers, scientists, technicians, and anyone
working with chemicals. The chemicals library facilitates the retrieval and
calculation of:
- Chemical constants including formula, molecular weight, normal boiling and
melting points, triple point, heat of formation, absolute entropy of
formation, heat of fusion, similarity variable, dipole moment, acentric
factor, etc.
- Assorted information of safety and toxicity of chemicals.
- Methods (and their respective coefficients) for the calculation of temperature
and pressure dependent chemical properties including vapor pressure,
heat capacity, molar volume, thermal conductivity, surface tension, dynamic
viscosity, heat of vaporization, relative permittivity, etc.
- Methods to solve thermodynamic phase equilibrium, including flash routines,
vapor-liquid equilibrium constant correlations, and both numerical and
analytical solutions for the Rachford Rice and Li-Johns-Ahmadi equations.
Rachford Rice solutions for systems of 3 or more phases are also available.
Data for over 20,000 chemicals are made available as local databanks in this
library. All databanks are loaded on-demand, saving loading time and RAM. For
example, if only data on the normal boiling point is required, the chemicals
library will only load normal boiling point datasets. This on-demand loading
feature makes the chemicals library an attractive dependence for software
modeling chemical processes. In fact, `The Biorefinery Simulation and Techno-Economic
Analysis Modules (BioSTEAM) `_
is reliant on the chemicals library for the simulation of unit operations.
The chemicals library also supports integration with
`Numba `_, a powerful accelerator that works
well with NumPy; `Pint `_ Quantity
objects to keep track of units of measure; and
NumPy `vectorized `_
functions.
If you need to know something about a chemical, give chemicals a try.
.. toctree::
:maxdepth: 1
:caption: Tutorial
tutorial.rst
.. toctree::
:maxdepth: 2
:caption: API
chemicals.acentric
chemicals.air
chemicals.combustion
chemicals.critical
chemicals.dipole
chemicals.dippr
chemicals.elements
chemicals.environment
chemicals.exceptions
chemicals.flash_basic
chemicals.heat_capacity
chemicals.iapws
chemicals.identifiers
chemicals.interface
chemicals.lennard_jones
chemicals.miscdata
chemicals.molecular_geometry
chemicals.numba
chemicals.permittivity
chemicals.phase_change
chemicals.rachford_rice
chemicals.reaction
chemicals.refractivity
chemicals.safety
chemicals.solubility
chemicals.temperature
chemicals.thermal_conductivity
chemicals.triple
chemicals.utils
chemicals.units
chemicals.vapor_pressure
chemicals.vectorized
chemicals.virial
chemicals.viscosity
chemicals.volume
.. toctree::
:maxdepth: 1
:caption: Developer's guide
developers
water_steam_properties_python
.. toctree::
:maxdepth: 1
:caption: Tutorials
Installation
------------
Get the latest version of chemicals from
https://pypi.python.org/pypi/chemicals/
If you have an installation of Python with pip, simple install it with:
$ pip install chemicals
If you are using `conda `_, you can install
chemicals from conda-forge channel:
$ conda install -c conda-forge chemicals
To get the git version, run:
$ git clone git://github.com/CalebBell/chemicals.git
Latest source code
------------------
The latest development version of chemicals's sources can be obtained at
https://github.com/CalebBell/chemicals
Bug reports
-----------
To report bugs, please use the chemicals's Bug Tracker at:
https://github.com/CalebBell/chemicals/issues
License information
-------------------
See ``LICENSE.txt`` for information on the terms & conditions for usage
of this software, and a DISCLAIMER OF ALL WARRANTIES.
Although not required by the chemicals license, if it is convenient for you,
please cite chemicals if used in your work. Please also consider contributing
any changes you make back, and benefit the community.
Citation
--------
To cite chemicals in publications use::
Caleb Bell, Yoel Rene Cortes-Pena, and Contributors (2016-2023). Chemicals: Chemical properties component of Chemical Engineering Design Library (ChEDL)
https://github.com/CalebBell/chemicals.
Indices and tables
------------------
* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`