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g-bauer avatar g-bauer commented on June 12, 2024

Hi Jackxi1024,

for your Python implementation you can use the equations for the Helmholtz energy contributions given in the appendix of [1] and our Python package for dual numbers [2] to circumvent implementing analytical derivatives.
Otherwise, the partial derivatives can be carried out for the equations of the Helmholtz energy contributions as described for copolymers just like it was shown in the first PC-SAFT paper you mentioned.

I'm closing this issue since your question is not directly related to FeOs.

[1] Joachim Gross, Oliver Spuhl, Feelly Tumakaka, and Gabriele Sadowski
Industrial & Engineering Chemistry Research 2003 42 (6), 1266-1274
DOI: 10.1021/ie020509y
[2] https://github.com/itt-ustutt/num-dual

from feos.

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