Fortran Implementation of Perturbed Truncated and Shifted Model Fluid (PeTS) EOS

Published: 27-11-2020| Version 1 | DOI: 10.17632/f6gx6y5r34.1
Contributors:
Timon Hitz,
Claus-Dieter Munz

Description

Fortran implementation of the perturbed truncated and shifted (PeTS) equation of state (Heier et al., Mol. Phys., 2018) for the Lennard-Jones truncated and shifted potential. The implementation is based on the reduced Helmholtz energy. It is possible to choose from a variety of input variables, e.g. density and temperature, density and pressure, etc. Only for density and temperature as input variables, the PeTS EOS can be directly evaluated. Otherwise, Newton algorithms are used to invert the EOS.

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