pykingas 1.1.4

Revised Enskog solutions of the Boltzmann Equations for diffusion, thermal diffusion and thermal conductivity.

KineticGas

Implementation of Enskog solutions for diffusion, thermal diffusion and conductivity. The file theory.pdf contains an excerpt of the project report this package was created to produce, that outlines the elements of kinetic gas theory used in the package and some notable results regarding the stability of the solutions. See the documentation for SAFT-VR-Mie at ThermoPack for more details on mixing rules.

Dependencies

C++ module uses the pybind11 package to expose itself to the Python wrapper, removing this dependency does not amount to more than deleting the final lines in KineticGas.cpp and removing the appropriate include statements.

The Python extension requires the ThermoPack python module (pyctp) and associated dependencies. The ThermoPack module is only used as a database for Mie-parameters. Removing the appropriate import statements and associated function calls will not break the code, but require that Mie-parameters are explicitly supplied.

Setup

The package that can be installed with pip comes with a pre-compiled file KineticGas.so, compiled on MacOS 10.14.6 for Python 3.9.

Build for Python 3.9 on mac by running bash cpp/build_mac.sh from the top-level directory. The same script works for Linux, possibly with minor modifications. To build for different Python versions, edit the variable PYBIND11_PYTHON_VERSION in cpp/CMakeLists.txt. For Windows, may God be with you.

Install with pip by running pip install pykingas/ from the top-level directory after activating your python-installation of choice.

Usage

Initialize a KineticGas object with the desired components, compute diffusion coefficients, thermal diffusion coefficients and thermal conductivity with the respective functions in py_KineticGas.py

Acknowledgments and sources

This implementation of the Enskog solutions presented by Chapman and Cowling (The mathematical theory of non-uniform gases 2nd ed. Cambridge University Press, 1964) utilises the explicit summational expressions for the required bracket integrals published by Tompson, Tipton and Loyalka in Chapman–Enskog solutions to arbitrary order in Sonine polynomials IV: Summational expressions for the diffusion- and thermal conductivity-related bracket integrals, European Journal of Mechanics - B/Fluids, 28, 6, pp. 695 - 721, 2009.