Clapeyron.jl

An extensible Julia package for the modelling of fluids using thermodynamic equations of state. These include the standard cubics (van der Waals, Redlich–Kwong, Peng–Robinson, etc.), SAFT-type equations (PC‑SAFT, SAFT‑VR Mie, SAFT‑$\gamma$ Mie, etc.), empirical equations (GERG‑2008, IAPWS‑95), Activity coefficient models (NRTL, UNIFAC, COSMO‑SAC, etc.) and many more.

The documentation is laid out as follows:

  1. Installation
  2. Model construction
    • Ideal gas models
    • Cubic equations of state
    • SAFT equations of state
    • Empirical equations of state
    • Activity coefficient models
    • Composite Models
    • Group Contribution Models
  3. Property Estimation
    • Bulk Properties
    • Phase Equilibria
    • Flash Calculations
  4. Parameter Estimation
  5. Extensions
    • CoolProp
    • Symbolics
    • Measurements
  6. Package Development
    • Developing new methods
    • Developing new models
    • Contributing to the package
  7. API

Authors

License

Clapeyron.jl is licensed under the MIT license.

Installation

Clapeyron.jl is a registered package, it can be installed from the general registry by:

pkg> add Clapeyron

Citing Clapeyron.jl

If you are using Clapeyron for your research work, please cite the following:

@article{Clapeyron-2022,
    title={Clapeyron.jl: An Extensible, Open-Source Fluid Thermodynamics Toolkit},
    author={Pierre J. Walker, Hon-Wa Yew, and Andrés Riedemann},
    journal={Ind. Eng. Chem. Res.},
    volume={61},
    number={20},
    pages={7130--7153},
    year={2022},
    publisher={American Chemical Society},
    doi={doi/10.1021/acs.iecr.2c00326},
    url={https://pubs.acs.org/doi/10.1021/acs.iecr.2c00326}
}

Citing a particular equation of state model

In addition to citing this work, it is encouraged to cite the references to the underlying models used. For that, you can use Clapeyron.cite to obtain the references used in a particular model.