feos-org / feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory
Other
110 stars 22 forks source link

Fixes for the bubble and dew point calculations #166

Closed prehner closed 1 year ago

prehner commented 1 year ago

This fixes the assignment of the liquid and vapor phases which helps tremendously for the calculation of supercritical phase diagrams.

The change with respect to the inital pressure is done because for high-pressure VLEs FeOs/PC-SAFT appear to find unphysical solutions at very low pressures. In this case, it is preferred to just not find any solution at all rather than the unphysical one.