You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Depending on initial values, the critical point routine may return the wrong state. We currently only check if the result for a temperature is OK (and then we don't check additional temperatures) but a more rigorous check is needed.
@ianhbell Pure fluids for now. I noticed in the SAFT-VR Mie notebook when I tried to reproduce Lafitte's results that some seemingly converged results are not correct. Changing the initial temperature solves this and so does a stability analysis - but is expensive to run.
Also, as I gather, they used something like centered finite derivatives in their thermodynamic modeling for higher derivatives, so you should not expect agreement to be as good as with FeOs, teqp, or Clapeyron.jl. I couldn't reproduce their critical points in their paper to all their given digits.
Activity
ianhbell commentedon May 24, 2024
Are you concerned with pure fluids or mixtures here?
g-bauer commentedon May 28, 2024
@ianhbell Pure fluids for now. I noticed in the SAFT-VR Mie notebook when I tried to reproduce Lafitte's results that some seemingly converged results are not correct. Changing the initial temperature solves this and so does a stability analysis - but is expensive to run.
ianhbell commentedon May 28, 2024
Also, as I gather, they used something like centered finite derivatives in their thermodynamic modeling for higher derivatives, so you should not expect agreement to be as good as with FeOs, teqp, or Clapeyron.jl. I couldn't reproduce their critical points in their paper to all their given digits.