Published June 2, 2026 | Version v0.6.25
Software Open

ClapeyronThermo/Clapeyron.jl: v0.6.25

Authors/Creators

  • 1. Caltech
  • 2. Imperial College London
  • 3. RPTU Kaiserslautern
  • 4. LANL
  • 5. National Institute of Standards and Technology
  • 6. Applied Computational Science, SINTEF Digital
  • 7. Hafnium Labs
  • 8. @STFS-TUDa

Description

Clapeyron v0.6.25

Diff since v0.6.24

v0.6.25

New Features

  • Estimation framework: revamped internals, what was previously Estimation was renamed EstimationProblem, and there are two new structs: EstimationModel, a wrapper over a model and ToEstimate that allows indexing models as if they are the vector of parameters described by ToEstimate; and EstimationData, that is a reimplementation of the old EstimationData struct that additionally stores the loss and the estimator method, allowing multiple loss functions per estimation problem, along with standalone, model-independent evaluations of the objective function. Current estimation workflows that used the documented API are not affected, apart from performance improvements. To see a full list of the changes, we recomend checking the new estimation basics tutorial.
  • Activity models: a consistent gibbs bulk property model for the liquid phase was defined, based on the incompressible approximation already used on Clapeyron equilibria solvers. The gas phase is still evaluated in the helmholtz framework.
  • New flash method: RRXYFlash, a X-(T or P) flash with support for activity and composite models.
  • Flash: activity and composite models can now get properties via property(model,result::FlashResult)
  • Flash: FlashResult now stores the index of vapour phase. it can be accessed via identify_phase(result,i)
  • Activity models: support for Tproperty/Pproperty/edge_pressure/edge_temperature
  • New model: Patel-Teja-Hayen cubic (PatelTejaHayen)
  • New alpha model: Twu alpha estimation used in tcPR and tcRK (tcTwuAlpha)
  • New translation model: tcPR and tcRK translation estimation (tcTranslation)
  • Cubic mixing rules: support for more cubics. Before, most EoS + GE mixing rules were only correct for cubics with composition-independent coefficients.
  • CSV parsing: options can now be provided via an inline JSON file: [csvtype = single] is equivalent to {"csvtype" : "single"}
  • Flash methods: added verbose option to RRQXFlash, improved verbose display for RRTPFlash/MichelsenTPFlash
  • Various bug fixes and stability improvements.

Other Changes

  • ClapeyronHANNA was deprecated. the new version just uses the implementation on MLThermoProperties instead.

Merged pull requests:

  • Fixing text typos. (#573) (@LeoSchmider)
  • Fix tc translation tc twu coeffs (#575) (@LeoSchmider)
  • XY flash via successive substitution (#578) (@longemen3000)
  • Typos in RRXYFlash (#579) (@se-schmitt)
  • Deprecate ClapeyronHANNA, point to MLThermoProperties instead. (#580) (@longemen3000)
  • Estimation Revamp (#583) (@longemen3000)

Files

ClapeyronThermo/Clapeyron.jl-v0.6.25.zip

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Additional details

Related works

Is supplement to
Software: https://github.com/ClapeyronThermo/Clapeyron.jl/tree/v0.6.25 (URL)

Software

Repository URL
https://github.com/ClapeyronThermo/Clapeyron.jl