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@speth speth commented Oct 24, 2025

Changes proposed in this pull request

  • Modify species equations in FlowReactor to impose a constraint on the sum of the mass fractions (or specifically, that $\frac{d}{dt} \sum Y_k = 0$
  • Fix some plotting units in 1D_pfr_surfchem.py example
  • Add a regression test for this example based on the results in the original Sandia report

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

If applicable, provide an example illustrating new features this pull request is introducing

Updated plot from 1D_pfr_surfchem.py

pfr_output

Note that the scale of variation of the pressure (green line) is ~0.01 Pa.

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

Also switch plots to use mole fraction to enable comparison with
reference solution.
@speth speth added the Reactors label Oct 24, 2025
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codecov bot commented Oct 24, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 75.52%. Comparing base (fd4d005) to head (7576c7a).
⚠️ Report is 3 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main    #2018   +/-   ##
=======================================
  Coverage   75.51%   75.52%           
=======================================
  Files         455      455           
  Lines       56932    56937    +5     
  Branches     9362     9363    +1     
=======================================
+ Hits        42994    42999    +5     
  Misses      10765    10765           
  Partials     3173     3173           

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@speth speth marked this pull request as ready for review October 24, 2025 18:09
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@ischoegl ischoegl left a comment

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Looks good to me!

@ischoegl ischoegl merged commit 69b71e2 into Cantera:main Oct 25, 2025
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plug flow reactor: silicon nitride deposition example: sdot and pressure increase issues

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