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CPC Cubic equation of state #93

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pw0908 opened this issue Jun 7, 2022 · 6 comments
Open

CPC Cubic equation of state #93

pw0908 opened this issue Jun 7, 2022 · 6 comments
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new EoS New Equation of State

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@pw0908
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pw0908 commented Jun 7, 2022

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

@pw0908 pw0908 added the new EoS New Equation of State label Jun 7, 2022
@ianhbell
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They didn't convert to residual Helmholtz energy, darn.

@pw0908
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pw0908 commented Aug 2, 2022

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
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ianhbell commented Aug 2, 2022

The loss of the cubic nature is a pretty big loss

@longemen3000
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longemen3000 commented Sep 3, 2022

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
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pw0908 commented Sep 3, 2022

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
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