feos-org / feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory
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Fix unexpected behavior in the initialization of bubble and dew point calculations #138

Closed prehner closed 1 year ago

prehner commented 1 year ago

Before this fix, the initial value for the composition of the opposing phase was ignored if no initial guess for the temperature or pressure was given. This behavior is confusing and should be changed. The value that was used to override the user-given initial values is remarkably robust for PC-SAFT but for other models (cubics...) this behavior is problematic.