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ClapeyronThermo / Clapeyron.jl

Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
MIT License
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CPC Cubic equation of state #93

Open pw0908 opened 2 years ago

pw0908 commented 2 years ago

Interesting cross over between the chain term in SAFT and a cubic equation of state: https://pubs.acs.org/doi/abs/10.1021/acs.iecr.2c00902

ianhbell commented 1 year ago

They didn't convert to residual Helmholtz energy, darn.

pw0908 commented 1 year ago

They use the standard chain term so it should be just a matter of copying our code from SAFT into this eos. However, they've lost the cubic form so we'll probably need to label this eos as a generic one.

ianhbell commented 1 year ago

The loss of the cubic nature is a pretty big loss

longemen3000 commented 1 year ago

they use the elliot RDF, that is g(β) = 1/(1 - 0.475*β). the original CPC paper shows the explicit residual helmholtz energy form.

pw0908 commented 1 year ago

Should we classify it as a SAFT or a cubic?

Probably more of a SAFT but really disappointing they don't use the association term...

longemen3000 commented 6 months ago

part 4: https://pubs.acs.org/doi/abs/10.1021/acs.iecr.3c02774