simonwmatthews
commented
4 years ago Are they using the same version of the parameterisation? There's one version that takes into account dissolved water, and one that doesn't. You can switch between the two in VESIcal- see the IaconoMarziano documentation in the module. The code required to do this (if VESIcal is imported as v) is: model = v.IaconoMarzianoCarbon(hydrous=False) v.calculate_saturation_pressure(model=model) or for a mixed fluid (again see docs for more info): model = v.MixedFluid({'CO2':v.IaconoMarzianoCarbon(hydrous=False),'H2O':v.IaconoMarzianoWater(hydrous=False)}) v.calculate_saturation_pressure(model=model) If that's not the reason for the discrepancy then I have no idea what's causing it.
PennyWieser
Hi Simon/Kayla, Iacono-Marziano sent me a link to their new online calculator. http://calcul-isto.cnrs-orleans.fr/thermodynamics/applications/#/script?name=workers~worker_equilibrium_pressure.js.
Simon, when I ran my Hawaiian melt inclusions through the old version of your python script it returned values for Iacono-Marziano that were significantly higher than other models (Using the KS test).
When I run the same compositions through the web calculator, i get lower pressures that align with other models (e.g. for two compositions in attached spreadsheet - online calculator gives P=626 and P=924 bar, while your code returned P=814 and 1269 bars). At the moment, I can't get these compositions to run at all in the "manuscript" I think because of the low volatile problem issue #63? It returns error
InputError: X_fluid must sum to 1.0
If you could let me know once you've fixed this and I can test whether this discrepancy Iacono_SatPChecks.xlsx still exists with the newer code. vs. the web calculator