Clapeyron v0.6.16

Diff since v0.6.15

v0.6.16

New Features

• New model type: Gibbs models (model <: GibbsBasedModel): EoS that use the gibbs energy as the main function. Properties and single component equilibria are implemented.
• Liquid Volume models are now a subtype of GibbsBasedModel
• New method: component_list(model) that returns a vector of component names.
• New property method: sle_solubility_T
• New Gibbs EoS: IAPWS-06 standard for ice-ih (IAPWS06)
• New Gibbs EoS: Grenke-Elliott model for liquid water (GrenkeElliottWater)
• New Gibbs EoS: Holten 2-state model for liquid supercooled water (HoltenWater)
• New Gibbs EoS: Jäger and Span model for solid carbon dioxide (JagerSpanSolidCO2)
• New Activity model: Van Laar binary activity coefficient model (VanLaar)
• New Activity model: Margules binary activity coefficient model (Margules)
• New Activity model: Flory-Huggins activity coefficient model (FloryHuggins)
• New Correlation Model: Antoine saturation pressure correlation (AntoineEqSat)
• Reference State: new type: :ideal_gas, that calculated the reference state only with the ideal gas model.
• Misc documentation improvements.

Bug Fixes

• Volume solver: the solver now tries to detect if there was a "jump" in the chosen (liquid or vapour) branch being iterated. For EoS with more than two maxwell loops, branch jumps sometimes caused the final volume to be in a invalid branch.
• Misc improvements to the database.
• Fixed initialization for ReferenceState when H0 and S0 are vectors.
• improved initialization for electrolyte models.
• bubble/dew: improved handling of negative fractions.

Merged pull requests: - Fixes doc display in webpage (#424) (@LeoSchmider) - Creates .csv file for correlation with association NRTL results (#425) (@LeoSchmider) - Add more control over specifying parameters in electrolyte eos (#430) (@pw0908) - Dev new activity models for GammaPhi methods (#431) (@LeoSchmider) - Fix units for parameters in Schreckenberg model (#432) (@spinnau) - Bump actions/checkout from 4 to 5 (#434) (@dependabot[bot]) - Gibbs models (#439) (@longemen3000) - Flory-Huggins (#440) (@pw0908) - assertions on bubble and dew methods (#442) (@Sush1090)

Closed issues: - MissingException: cannot found values of canonicalsmiles for all input components. (#423) - Wrong units for d_T and d_V in documentation for Schreckenberg model (#427) - Composite model: water - melting data, sublimation data, triple point? (#429) - Gibbs-Based models (#433) - Multicomponentflash Ext. [Viscosity Calculation] (#435) - SAFTVREMie properties (#436) - WalkerIdeal MissingException (#437) - Computing Gibbs molar energy for water, hydrogen, and oxygen --- why is the result so strange? (#443) - Tproperty var not defined (#444)