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fix rescaling for FORD #414

Merged
merged 3 commits into from
Sep 8, 2023
Merged

fix rescaling for FORD #414

merged 3 commits into from
Sep 8, 2023

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malihass
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@malihass malihass commented Sep 7, 2023

closes #318 #162 #23

  • verify that no mech is changed (including QSS)
  • Compare all FORD mechs to cantera
  • Update mechs
  • Revert the safeguard against FORD

Co-authored-by: Anirudh Jonnalagadda [email protected]
Co-authored-by: Samuel Whitman

@malihass malihass marked this pull request as draft September 7, 2023 18:42
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malihass commented Sep 7, 2023

FORD mech comparisons
FD is for finite difference Jacobian
AJ is for analytical Jacobian
Figure_1
Figure_2

wdot[2] -= 2 * q; // CH4
wdot[3] += 2 * q; // CO
// d()/d[O2]
dqdci = +k_f * 3.000000 * sc[0] * sc[0] * sc[2] * sc[2];
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I think this still needs to be updated for the FORD stuff. This appears to have been calculated using the stoichiometric coefficients as reaction orders rather than using the FORD reaction orders.

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@baperry2 Good catch! I think I got all of it but I could use another pair of eyes to make sure I caught everything

@malihass malihass marked this pull request as draft September 7, 2023 20:56
@malihass malihass marked this pull request as ready for review September 8, 2023 01:46
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Nice, looks good to me!

@marchdf marchdf merged commit 91db463 into development Sep 8, 2023
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@marchdf marchdf deleted the malihass/fordfix branch September 8, 2023 16:53
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Unit mismatch for elementary reactions with arbitrary orders of reaction
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