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Fix erroneous temperature ranges in nasa_condensed.yaml #1248

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merged 4 commits into from
Apr 24, 2022
Merged

Fix erroneous temperature ranges in nasa_condensed.yaml #1248

merged 4 commits into from
Apr 24, 2022

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speth
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@speth speth commented Apr 23, 2022

Changes proposed in this pull request

  • Add an option to ck2yaml for handling thermo data that has only a single intermediate temperature (where the field that would normally contain holds the molecular weight instead)
  • Fix species in nasa_condensed.yaml that had incorrect temperature ranges specified
  • Preserve spaces in the thermo 'note' field
  • Update nasa_condensed.yaml and nasa_gas.yaml to contain the 'note' field and add an explanation that the abbreviations used in this note are described in the McBride et al. report. Also remove the reference to the Gordon and McBride report, which is the reference for the equilibrium code, not this dataset.

If applicable, fill in the issue number this pull request is fixing

Closes #1245

Checklist

  • The pull request includes a clear description of this code change
  • Commit messages have short titles and reference relevant issues
  • Build passes (scons build & scons test) and unit tests address code coverage
  • Style & formatting of contributed code follows contributing guidelines
  • The pull request is ready for review

@speth speth added Input Input parsing and conversion (for example, ck2yaml) Species Issues related to species definitions labels Apr 23, 2022
@speth
[ck2yaml] Add support for format with single intermediate temperature
44b2173 
This format, used in the original NASA thermo database by McBride et al
stores the molecular weight in the last section of the first line of
each thermo entry.

Also, correct handling of cases where the inferred intermediate temperature
is outside the range (Tmin, Tmax) and the species only has a single set
of non-zero coefficients.
@speth
[data] Fix temperature ranges in nasa_condensed.yaml
d45efb1
@speth
[data] Add reference information from McBride report
1054e42
@ischoegl
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Thanks, @speth! Am I correct in my assumption that this also addresses - and may fix - #1139?

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speth commented Apr 24, 2022

No, but I did discover #1245 while trying to investigate #1139 and come up with a simpler test problem.

ischoegl
ischoegl approved these changes Apr 24, 2022
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Looks good to me!

@ischoegl ischoegl merged commit af3ed88 into Cantera:main Apr 24, 2022
@speth speth mentioned this pull request Apr 25, 2022
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@speth speth deleted the fix-1245-nasa-condensed branch July 23, 2024 15:33
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Incorrect temperature ranges in nasa_condensed data
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