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added singal2024 placeholder to cantera.bib and updated citation in L…
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…MRR ref materials
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pjsingal committed Sep 9, 2024
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11 changes: 11 additions & 0 deletions doc/doxygen/cantera.bib
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Expand Up @@ -434,6 +434,17 @@ @online{smith1999
and W.~C.~Gardiner, Jr. and V.~V.~Lissianski and Z.~Qin},
url = {http://combustion.berkeley.edu/gri-mech/version30/text30.html},
year = {1999}}
@article{singal2024,
author = {P.~J.~Singal and J.~Lee and L.~Lei and R.~L.~Speth and M.~P.~Burke},
journal = {Proceedings of the Combustion Institute},
number = {40},
pages = {TBD},
title = {Implementation of New Mixture Rules Has a Substantial Impact on
Combustion Predictions for H2 and NH3},
doi = {TBD},
url = {TBD},
volume = {TBD},
year = {2024}}
@article{stewart1989,
author = {P.~H.~Stewart and C.~W.~Larson and D.~Golden},
journal = {Combustion and Flame},
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2 changes: 1 addition & 1 deletion doc/sphinx/reference/kinetics/rate-constants.md
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Expand Up @@ -279,7 +279,7 @@ $$
k_{\text{LMR-R}}(T,P,\textit{\textbf{X}}) &= \sum_{n} k_{n}(T,P_{n,\text{LMR}}^{\text{ eff}})\tilde{X}_{n,\text{LMR}} + k_{M}(T,P_{M,\text{LMR}}^{\text{ eff}}) \left(1-\sum_{n}\tilde{X}_{n,\text{LMR}}\right)
$$

If the user has limited or incomplete access to parameter inputs (a likely scenario, given the scarcity of puplished third-body efficiencies and master equation eigenvalues), this computational implementation allowes them much greater flexibility and power to make educated assumptions. Further description of the LMR-R theory and computational method is available here {cite:singal}`singal2024` [citation not yet added].
If the user has limited or incomplete access to parameter inputs (a likely scenario, given the scarcity of puplished third-body efficiencies and master equation eigenvalues), this computational implementation allowes them much greater flexibility and power to make educated assumptions. Further description of the LMR-R theory and computational method is available in {cite:t}`singal2024`.

```{admonition} YAML Usage
:class: tip
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2 changes: 1 addition & 1 deletion doc/sphinx/yaml/reactions.rst
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Expand Up @@ -440,7 +440,7 @@ parameterization if so desired. Mixing and matching of types within the same rea
table for ``"M"``, Troe parameters for ``"H2"``, and Chebyshev data for ``"NH3"``).

A mathematical description of this YAML implementation can be found in Eq. 8 of
:cite:t:`singal2024`. [CITATION NOT YET ADDED]
:cite:t:`singal2024`.

Examples::

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