[New EoS] NRTL-PA (plus association)

[LeoSchmider]

Hi there,
I've found this proposition for including association theory to the NRTL activity coefficient model: https://pubs.acs.org/doi/10.1021/acs.iecr.2c01415
My understanding is that it is pretty close to the methodology used for SAFT family of EoS, that is already implemented in Clapeyron.

[longemen3000]

related: #117

[LeoSchmider]

Actually, you can find in this paper a deeper comparison between both propositions for association theory integration in NRTL model https://doi.org/10.1021/acs.iecr.2c02058

[longemen3000]

if i understood the NRTL-PA model paper:

• it uses the PC-SAFT association contribution (for the bonding strength).
• the volume is calculated via pure correlation at saturation temperature T (paper mentions PURE36, that is just the data from DIPPR, but i think any liquid volume model could be used)

[LeoSchmider]

Yes, you are right. These are the main differences I noted between both approaches in terms of calculations. I think this version of NRTL-PA is close to the Hao et al. paper because they used the 2 B association scheme.