Pierre Walker

Just to add to what Andrés said, this is indeed something we've wanted to implement for a while. We do know there are so Julia-native packages we could use to...

I definitely agree that the open-source database for SAFT-gamma mie is very lacking. If youre really desperate to model your systems with SAFT-gamma Mie, I would suggest gPROMS (commercial software)...

On the topic of SMILES parsers, I just remembered that Simon Mueller has a code (in python) that does exactly what we need: https://github.com/simonmb/fragmentation_algorithm Perhaps combining this method with MolecularGraph.jl...

Hi there! We have been looking into implementing solid-compatible models recently, but had no immediate intention to focus on SOLIDS. Doing a quick search online, I can't see what the...

Hi John, There are no default models in Clapeyron perse. We provide generalised equations of state which, in theory, can be used for any fluid. That being said, depending on...

Could just be a user-defined input where we have a check in the constructor that the size is consistent

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...

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...

Hi there; I'm currently away from my laptop and either Andrés or Paul may be able to check the code for you. But, just looking at your set up, you...

These results make more sense; one potential mistake is the water model used. We use an older one whilst this paper uses the latest one which has a long correlation...