ThermoTools

ThermoPack is now being maintained as part of the ThermoTools project. Please refer to the the ThermoPack repository there for the maintained codebase and installation guide.

This repository is no longer maintained, but is kept live for legacy purposes.

Thermopack

Thermopack is a thermodynamics library for multi-component and multi-phase thermodynamics developed at SINTEF Energy Research. Through decades of research, we have developed a software that performs thermodynamic calculations. A large selection of equations of state has been implemented in this software. Most of these equations of state have been developed by other research groups around the world, but some of them have been developed by us. Thermopack has has been a much-appreciated in-house powerhouse.

With the slogan of SINTEF in mind - Technology for a better society - we want to share Thermopack with everybody, free of charge through the MIT open-source license. Thermopack is written in modern FORTRAN to handle heavy numerical computations associated with process and computational fluid dynamics (CFD) simulations. The thermodynamic framework is easily interfaced from C/C++ and also contains a flexible Python wrapper to make scripting easy. The Python interface is also a building block for the Thermopack graphical user interface, where it is possible to plot thermodynamic phase diagrams with the most frequently used equations of state. The graphical user interface is currently running on the Windows and Linux operating systems.

Table of contents

• Please cite
• Authors and contact persons
• License

• Acknowledgments

  Please cite

  Thermopack has been developed through many projects, and have produced many articles. If you are writing academic publications, please cite one or more of the following articles:

  • For general usage:
    Thermodynamic Modeling with Equations of State: Present Challenges with Established Methods
  • Quantum cubic:
    Accurate quantum-corrected cubic equations of state for helium, neon, hydrogen, deuterium and their mixtures
  • SAFT-VR Mie and SAFT-VRQ Mie:
    Equation of state and force fields for Feynman--Hibbs-corrected Mie fluids. I. Application to pure helium, neon, hydrogen, and deuterium
    Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. II. Application to mixtures of helium, neon, hydrogen, and deuterium
    Choice of reference, the influence of non-additivity and challenges in thermodynamic perturbation theory for mixtures
  • CPA, PC-SAFT or cubic models with Wong–Sandler, Huron–Vidal or UNIFAC mixing rules:
    Thermodynamic models to accurately describe the PVTxy-behavior of water/carbon dioxide mixtures
  • Using dry-ice and water-ice model or the tc-PR/tc-RK:
    Depressurization of CO₂-N₂ and CO₂-He in a pipe: Experiments and modelling of pressure and temperature dynamics
  • Energy-density and entropy-density flashes:
    The influence of CO2 mixture composition and equations of state on simulations of transient pipeline decompression
  • Mapping spinodals or critical points:
    The spinodal of single-and multi-component fluids and its role in the development of modern equations of state
    Predicting triggering and consequence of delayed LNG RPT
  • Perturbation theories for Lennard-Jones spline fluid:
    Perturbation theories for fluids with short-ranged attractive forces: A case study of the Lennard-Jones spline fluid
    Thermodynamic properties of the 3D Lennard-Jones/spline model

Authors and contact persons

Morten Hammer (morten.hammer@sintef.no)
Ailo Aasen (ailo.aasen@sintef.no)
Øivind Wilhelmsen (oivind.wilhelmsen@sintef.no)

License

Thermopack is distributed under the MIT license.

Acknowledgments

A number of colleagues at SINTEF Energy Research have contributed to the development of thermopack. We gratefully acknowledge their contributions.