v2.1.1

What's Changed

• Add keys to link FuelLib to PelePhysics mechanism by @d-montgomery in #32
• add --fuel_decomp_name option by @d-montgomery in #33
• Recover pele physics keys by @d-montgomery in #34
• Remove blank file by @d-montgomery in #35
• Add molecular weight in MP exports by @d-montgomery in #36
• Export individual compound properties for converge by @d-montgomery in #37
• Remove error in decompositions for cyclo-alkanes by @d-montgomery in #38
• Update decomps of refCompounds by @d-montgomery in #39
• Use pngs in docs, not pdfs by @d-montgomery in #40
• More robust temperatures for Export4Converge and option for individual properties by @d-montgomery in #41
• Remove all in-place modifications in FuelLib except initial unit conversions by @d-montgomery in #42
• Update License by @d-montgomery in #43
• Update GC data to match NJFCP exactly by @d-montgomery in #44
• Fix error in Export4Pele, add more CI tests by @d-montgomery in #45
• Replace links with NREL with NatLabRockies by @d-montgomery in #46
• Remove align* environments by @d-montgomery in #47
• Remove equation labels by @d-montgomery in #48
• Add badges to README by @d-montgomery in #49
• Composition Pie Charts by @d-montgomery in #50
• Fix typo in docs by @d-montgomery in #51
• Fix error in pie charts for compositions by @d-montgomery in #52
• Add heat capacity data from Edwards 2020 by @d-montgomery in #54
• Only add existing families to composition bar plots by @d-montgomery in #55
• Improve CI by @d-montgomery in #57

Full Changelog: v2.1.0...v2.1.1

v2.1.0

What's Changed

• Export mixture properties for Pele by @d-montgomery in #25
• Add mixture to exported file name by @d-montgomery in #26
• Fix minor typos in docs by @d-montgomery in #27
• Add reference compound names for jet fuels by @d-montgomery in #28
• Refine Export4Pele for large mechanisms by @d-montgomery in #29
• Fix minor typo by @d-montgomery in #30
• Fix reference for Vozka (2018) by @d-montgomery in #31

Full Changelog: v2.0.2...v2.0.3

v2.0.2

Minor quality of life fixes and typo corrections in docs

What's Changed

• Add number of compounds to header by @dmontgomeryNREL in #23
• Fix minor typo by @dmontgomeryNREL in #24

Full Changelog: v2.0.1...v2.0.2

v2.0.1

What's Changed

• Fix typo in docs, update Export4Pele.py by @dmontgomeryNREL in #22

Full Changelog: v2.0.0...v2.0.1

v2.0.0

What's Changed

• Re-org and add functionality for exporting to Pele and Converge by @dmontgomeryNREL in #19
• Fix minor typo in docs and Export4Pele by @dmontgomeryNREL in #20
• Add source directory, rename groupContribution class to fuel by @dmontgomeryNREL in #21

Breaking changes

• GroupContributionMethod.py was renamed FuelLib.py. This was motivated by the name of the repository and the fact that this script contains much more than GCM tools. All imports of GroupContributionMethod must changed as follows:

  # Old import
  import GroupContributionMethod as gcm
  # New import
  import FuelLib as fl
  

• While not entirely necessary, we recommend importing FuelLib as fl instead of gcm. This is consistent with the repo name and will help avoid confusion in the future. This will require searching and replacing all gcm. with fl..
• • Creation of a source directory. This is necessary for organization as we build toward including multi-component evaporation models within FuelLib.
• In FuelLib.py, the groupContribution class was renamed fuel. This was motivated by the fact that the class is much more than GCM--it provides a characterization of the fuel. All instances of groupContribution must now be called using the following:

  import FuelLib as fl
  # Old instance
  fuel = fl.groupContribution(<fuel_name>)
  # New instance
  fuel = fl.fuel(<fuel_name>)
  

  This also makes the documentation more clear.
• Mixture functions are now functions of the mass fraction, not mass. This is consistent with the Pele codes and provides the most general approach for predicting mixture properties. All calls to mixture functions will need to have mass replaced with a mass fractions. For example:

  # Old mixture function call for vapor pressure
  mixture_psat = fuel.mixture_vapor_pressure(mass_i, T)
  
  # New mixture function call
  Y_i = mass_i / np.sum(mass_i)
  mixture_psat = fuel.mixture_vapor_pressure(Y_i, T)
  

New functionality

There are two new scripts in the testing phase for exporting GCM-based predictions to CFD solvers:

• source/Export4Pele.py: Exports the fundamental GCM predictions for each component for use in the Spray module of PelePhysics.

• source/Export4Converge: Exports mixture-level predictions over a range of temperatures for use in VOF simulations in Converge.

• There is now a file FuelLib/paths.py that creates variables for the various paths. Any file that imports paths automatically imports the source directory.

Reorganization

• Main library files (eg. FuelLib.py) have been moved to a source directory
• The examples have been moved to a directory called tutorials. This coincides with a new tutorials section in the documentation and should provide users a better introduction to FuelLib.

Updated Baseline for Testing

Minor diffs from converting the mixture property functions from mass-based to mass-fraction-based introduced minor diffs in the baseline tests. The baseline has been reset for future testing based on these changes.

Full Changelog: v1.1.0...v2.0.0

v2.0.0-alpha

What's Changed

• Re-org and add functionality for exporting to Pele and Converge by @dmontgomeryNREL in #19

This version includes some breaking changes, new functionality, new tutorials, additional documentation, and renaming/reorganization of files.

Breaking changes:

• GroupContributionMethod.py was renamed FuelLib.py. This was motivated by the name of the repository and the fact that this script contains much more than GCM tools. All imports of GroupContributionMethod must changed as follows:

  # Old import
  import GroupContributionMethod as gcm
  # New import
  import FuelLib as fl
  

• While not entirely necessary, we recommend importing FuelLib as fl instead of gcm. This is consistent with the repo name and will help avoid confusion in the future. This will require searching and replacing all gcm. with fl..
• Mixture functions are now functions of the mass fraction, not mass. This is consistent with the Pele codes and provides the most general approach for predicting mixture properties. All calls to mixture functions will need to have mass replaced with a mass fractions. For example:

  # Old mixture function call for vapor pressure
  mixture_psat = fuel.mixture_vapor_pressure(mass_i, T)
  
  # New mixture function call
  Y_i = mass_i / np.sum(mass_i)
  mixture_psat = fuel.mixture_vapor_pressure(Y_i, T)
  

New functionality:
There are two new scripts in the testing phase for exporting GCM-based predictions to CFD solvers:

• Export4Pele.py: Exports the fundamental GCM predictions for each component for use in the Spray module of PelePhysics.
• Export4Converge: Exports mixture-level predictions over a range of temperatures for use in VOF simulations in Converge.

Reorganization:
The examples have been moved to a directory called tutorials. This coincides with a new tutorials section in the documentation and should provide users a better introduction to FuelLib.

Updated Baseline for Testing:
Minor diffs from converting the mixture property functions from mass-based to mass-fraction-based introduced minor diffs in the baseline tests. The baseline has been reset for future testing based on these changes.

Full Changelog: v1.1.0...v2.0.0-alpha

v1.1.0

What's Changed

• Update docs by @dmontgomeryNREL in #12
• Add function for computing Antoine coeffs of a mixture by @dmontgomeryNREL in #13
• Add three HEFA fuels derived from different feedstocks by @dmontgomeryNREL in #14
• Composition plots by @dmontgomeryNREL in #15
• Organize examples and tests by @dmontgomeryNREL in #16
• Add logo and ignore pdfs in codespell by @dmontgomeryNREL in #17
• Add logo to sidebar in docs by @dmontgomeryNREL in #18

Full Changelog: v1.0.0...v1.1.0

Version 1.0.0

This is the first version release of FuelLib. It contains GCxGC data and group decompositions for the following fuels:

• decane
• dodecane
• heptane
• POSF-4658 (representative Jet-A fuel used in research and development of jet fuel surrogates)
• POSF-10264 (JP-8, a relatively high viscosity, high flash point, low hydrogen content fuel)
• POSF-10289 (JP-5)
• POSF-10325 (conventional Jet-A)
• POSF-11498 (GEVO C1, an alcohol-to-jet synthetic fuel studied as a test fuel in the National Jet Fuels Combustion Program)