Clapeyron.jl
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Structured SAFT gamma Mie
Cool extension of SAFT gamma mie which accounts for the structure of the molecule:
- Alkanes: https://aip.scitation.org/doi/10.1063/5.0048315
- Alcohols: https://pubs.acs.org/doi/abs/10.1021/acs.iecr.2c00198
It's a bit weird that it's only comparable to regular SAFT-gamma Mie (probably an indication of the limitations of the underlying theory). But would be interesting to see if Clapeyron can handle this input type.
with a quick glance at the original paper, i think that pair structure can be represented by an interaction matrix for each term, something like a SingleParam{Matrix{Float64}}
. the problem would be on how to store such matrix on a plain text database
one problem is that the size of the interaction matrix is group and component dependent. hmm, maybe we need a new type of parameter capable of expressing this relationship
Could just be a user-defined input where we have a check in the constructor that the size is consistent