v0.6.8

Clapeyron v0.6.8

New Features

• New function: partial_property, for calculating partial properties at constant pressure and temperature.
• New functions: widom_pressure,widom_temperature,ciic_pressure,ciic_temperature, that calculate the maxima of isobaric heat capacity at constant pressure (widom) or constant temperature (CIIC).
• New models: original UNIFAC 2.0 (ogUNIFAC2, from doi.org/10.1016/j.cej.2024.158667) and modified (Dortmund) UNIFAC 2.0 (UNIFAC2, from doi.org/10.48550/arXiv.2412.12962).
• Ideal models: now all ideal models (with the exception of BasicIdeal) support optionally setting molecular weights.
• Database: the behaviour of getparams(;return_sites) was changed. Now, all single parameters used when building the SiteParam will be removed from the result (if sites are built.). The removed parameters will also not be checked for complete specification (non-existing sites are made equivalent to zero sites).
• Estimation: more flexibility in setting indices.
• ReidIdeal: Parameters for a,b,c,d,e are now included in ReidIdealParam.

Bug Fixes

• Stability improvements in xy_flash.
• Stability improvements in bubble and dew points
• Fix K-value initialization when components are over JT temperature.
• Stability improvements for spinodal initialization, used for pure saturation pressure calculations.

Diff since v0.6.7

Merged pull requests:

• Adds (original) UNIFAC 2.0 and modified UNIFAC 2.0 (#335) (@se-schmitt)

Closed issues:

• UNIFAC 2.0 (#322)
• Documentation... Isothermal compressibility (#330)