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Add electrochemical reactions to Science section#1737

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speth merged 4 commits intoCantera:mainfrom
decaluwe:echem-doc
Jul 25, 2024
Merged

Add electrochemical reactions to Science section#1737
speth merged 4 commits intoCantera:mainfrom
decaluwe:echem-doc

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@decaluwe
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@decaluwe decaluwe commented Jul 23, 2024

Changes proposed in this pull request

Adds description of Cantera's implementation of electrochemical rate theory to the Reference section of the website.

Added to doc/sphinx/reference/kinetics/reaction-rates.md.

Closes Cantera/cantera-website#172

Gives a basic overview of how electrochemical reactions are handled in Cantera, including the concepts of:

  1. Electrochemical potential of the reaction
  2. How changes in potential change the electrochemical potential of the overall reaction and of the transition state
  3. How this, plus the symmetry parameter, lead to an evaluation of the electrochemical reaction rate.

Documentation also includes description of specifying the rate parameter as an "exchange current density."

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

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codecov bot commented Jul 23, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 73.03%. Comparing base (d204cd4) to head (8ee6041).
Report is 3 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main    #1737   +/-   ##
=======================================
  Coverage   73.02%   73.03%           
=======================================
  Files         381      381           
  Lines       54129    54128    -1     
  Branches     9236     9233    -3     
=======================================
  Hits        39530    39530           
  Misses      11635    11635           
+ Partials     2964     2963    -1     

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@speth speth left a comment

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Thanks for writing this up, @decaluwe. This is a nice, clear description of how this all works. I had just a couple of small suggestions.

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Thanks, this looks good to me. I just pushed a minor change to fix one typo and a couple of nitpicky whitespace things.

@speth speth merged commit 167b23f into Cantera:main Jul 25, 2024
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Electrochemical Reactions missing from Science Section

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