https://github.com/avinashresearch1/clapeyron.jl
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
Science Score: 41.0%
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✓CITATION.cff file
Found CITATION.cff file -
○codemeta.json file
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○.zenodo.json file
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✓DOI references
Found 3 DOI reference(s) in README -
✓Academic publication links
Links to: arxiv.org, acs.org, zenodo.org -
○Academic email domains
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○Scientific vocabulary similarity
Low similarity (16.4%) to scientific vocabulary
Repository
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
Basic Info
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Metadata Files
README.md
Welcome to Clapeyron! This module provides both a large library of thermodynamic models and a framework for one to easily implement their own models.
The official manuscript is in ACS. https://pubs.acs.org/doi/10.1021/acs.iecr.2c00326. There is also a preprint available at arxiv: https://arxiv.org/abs/2201.08927
We have also ppresented at the JuliaCon 2021 conference! Feel free to take a look at our talk:
We support many equations of state and properties. Some examples of figures you can create are shown below:
- Isobaric heat capacity of carbon dioxide at 20 MPa:
- Water VLE envelope:
- Ethanol+water Pxy diagram at 423.15 K:
- pT-isopleth of methanol+cyclohexane generated using PC-SAFT:
Installing Clapeyron
To install Clapeyron, launch Julia with
```julia
julia ```
Hit the ] key to enter Pkg mode, then type
julia
Pkg> add Clapeyron
Or to add the development version:
julia
Pkg> add https://github.com/ClapeyronThermo/Clapeyron.jl#master
Exit Pkg mode by hitting backspace.
Now you may begin using functions from the Clapeyron library by entering the command
using Clapeyron
To remove the package, hit the ] key to enter Pkg mode, then type
julia
Pkg> rm Clapeyron
Citing Clapeyron
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}
}
Package in active Development
Note that at its current stage, Clapeyron is still in the early stages of development, and things may be moving around or changing rapidly, but we are very excited to see where this project may go!
We are open to contributions, new models, improved methods and more databases are always appreciated.
If you find any issue, feel free to contact us directly on the Zulip Channel, or open a Github issue.
Owner
- Name: Avinash Subramanian
- Login: avinashresearch1
- Kind: user
- Location: Trondheim, Norway
- Company: JuliaHub
- Repositories: 2
- Profile: https://github.com/avinashresearch1
Simulation & Control at JuliaHub
Citation (CITATION.bib)
#official citation for Clapeyron.jl
@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={XX},
number={XX},
pages={XX--XX},
year={2022},
publisher={American Chemical Society},
doi={doi/10.1021/acs.iecr.2c00326},
url={https://pubs.acs.org/doi/10.1021/acs.iecr.2c00326}
}
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