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The PC-SAFT equation of state, including dipole, association and ion terms.

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These functions implement the PC-SAFT equation of state. In addition to the hard chain and dispersion terms, these functions also include dipole, association and ion terms for use with these types of compounds. When the ion term is included it is also called electrolyte PC-SAFT (ePC-SAFT).


The Numpy and Scipy packages are required. The core functions have been written in C++ to improve calculation speed, so Cython is needed, along with the Eigen package for linear algebra. For unit testing pytest is used.

Compiling with Cython

To speed up the original Python code the core functions have been rewritten in C++. These are then connected with the remaining Python code using Cython. This gave a significant improvement in speed. The Cython code needs to be compiled before use, and for instructions on how to do this see the Cython documentation.

The original Python-only code has been removed from the repository. If you still want to use the original Python-only functions, go back to an earlier version of the repository. Note that the Python-only code is no longer maintained, so it may not be as reliable as the Cython code.



This project is licensed under the GNU General Public License v3.0 License - see the LICENSE file for details


When developing these functions the code from two other groups was used as references:

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Files for pcsaft, version 1.0.0
Filename, size File type Python version Upload date Hashes
Filename, size pcsaft-1.0.0-cp37-cp37m-manylinux2014_x86_64.whl (1.3 MB) File type Wheel Python version cp37 Upload date Hashes View
Filename, size pcsaft-1.0.0-cp37-cp37m-win32.whl (134.6 kB) File type Wheel Python version cp37 Upload date Hashes View
Filename, size pcsaft-1.0.0-cp37-cp37m-win_amd64.whl (161.5 kB) File type Wheel Python version cp37 Upload date Hashes View
Filename, size pcsaft-1.0.0.tar.gz (77.0 kB) File type Source Python version None Upload date Hashes View

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