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FDS Verification: Minor correction
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4 changes: 2 additions & 2 deletions Manuals/FDS_Verification_Guide/FDS_Verification_Guide.tex
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Expand Up @@ -3865,9 +3865,9 @@ \section{Ignition Delay verification with Cantera (\textct{ignition\_delay})}
\label{fig:ign_delay_nHeptane_Chalmers_phi_1.0}
\end{figure}

\section{Mixture Fraction (\textct{burke\_schumann})}{}
\section{Mixture Fraction (\textct{burke\_schumann})}
\label{Mix_Frac}
\label{burke_schumann_spec}
\label{burke_schumann_spec}
\label{burke_schumann_temp}

For simple one-step reactions of the form F + O $\rightarrow$ P, there is an optional output quantity called the mixture fraction. To test that this output is correctly implemented we consider a set of methane-air mixtures in a test chamber that span the entire range of equivalence ratio. The complete combustion of methane is given by:
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29 changes: 12 additions & 17 deletions Utilities/Input_Libraries/Chemical_Mechanisms/README.md
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## Generating Cantera input files
## Library of Chemical Mechanism files

This folder provide following detailed chemical mechanisms:
### **Methane (CH4):**
* **GRIMech (53 Species, 325 Reactions)**:G.P.Smith,D.M.Golden,M.Frenklach,N.W.Moriarty,B.Eiteneer,M.Goldenberg,C.T.Bowman, R. K. Hanson, S. Song, W. C. Gardiner Jr., V. V. Lissianski, and Z. Qin. Gri-mech 3.0. 1999 [link](http://combustion.berkeley.edu/gri-mech/version30/text30.html)
* **Tiangfeng Lu (30 Species, 184 Reactions)**:A criterion based on computational singular perturbation for the identification of quasi steady state species: A reduced mechanism for methane oxidation with no chemistry. Combustion and Flame, 154(4):761–774, 2008 [doi](https://doi.org/10.1016/j.combustflame.2008.04.025)
* **Smooke (20 Species, 25 Reactions)**: Mitchell D. Smooke and V. Giovangigli. Simplified transport and reduced chemistry models of pre- mixed and nonpremixed combustion. In Modeling in Combustion Science, pages 79–106, Berlin, Heidelberg, 1995. Springer Berlin Heidelberg [doi](http://dx.doi.org/10.1007%2F3-540-59224-5_7)

Methane (CH4):
> GRIMech (53 Species, 325 Reactions):G.P.Smith,D.M.Golden,M.Frenklach,N.W.Moriarty,B.Eiteneer,M.Goldenberg,C.T.Bowman, R. K. Hanson, S. Song, W. C. Gardiner Jr., V. V. Lissianski, and Z. Qin. Gri-mech 3.0. 1999 [link](http://combustion.berkeley.edu/gri-mech/version30/text30.html)
> Tiangfeng Lu (30 Species, 184 Reactions):A criterion based on computational singular perturbation for the identification of quasi steady state species: A reduced mechanism for methane oxidation with no chemistry. Combustion and Flame, 154(4):761–774, 2008 [doi] (https://doi.org/10.1016/j.combustflame.2008.04.025)
> Smooke (20 Species, 25 Reactions) : Mitchell D. Smooke and V. Giovangigli. Simplified transport and reduced chemistry models of pre- mixed and nonpremixed combustion. In Modeling in Combustion Science, pages 79–106, Berlin, Heidelberg, 1995. Springer Berlin Heidelberg [doi] (http://dx.doi.org/10.1007%2F3-540-59224-5_7)
Ethylene (C2H4):
> Tianfeng Lu (32 Species, 206 Reactions) :Zhaoyu Luo, Chun Sang Yoo, Edward S. Richardson, Jacqueline H. Chen, Chung K. Law, and Tian- feng Lu. Chemical explosive mode analysis for a turbulent lifted ethylene jet flame in highly-heated coflow. Combustion and Flame, 159(1):265–274, 2012 [doi](https://doi.org/10.1016/j.combustflame.2011.05.023)
Propane (C3H8):
> Univ. of Southern California - USC (70 Species, 463 Reactions) : Zhiwei Qin, Vitali V. Lissianski, Huixing Yang, William C. Gardiner, Scott G. Davis, and Hai Wang. Combustion chemistry of propane: A case study of detailed reaction mechanism optimization. Pro- ceedings of the Combustion Institute, 28(2):1663–1669, 2000. [doi] (https://doi.org/10.1016/S0082-0784(00)80565-2)
> Z66 (24 Species, 66 Reactions) :N. Zettervall, K. Nordin-Bates, E.J.K. Nilsson, and C. Fureby. Large eddy simulation of a premixed bluff body stabilized flame using global and skeletal reaction mechanisms. Combustion and Flame, 179:1–22, 2017. [doi] (https://doi.org/10.1016/j.combustflame.2016.12.007)

nHeptane (nC7H16):
> Chalmers (42 Species, 168 Reactions): Feng Tao, Rolf Reitz, and D. Foster. Revisit of diesel reference fuel (n-heptane) mechanism applied to multidimensional diesel ignition and combustion simulations. In Seventeenth International Multi- dimensional Engine Modeling User’s Group Meeting at the SAE Congress, April 15, 2007, Detroit, Michigan, 2007
### **Ethylene (C2H4)**:
* **Tianfeng Lu (32 Species, 206 Reactions)**:Zhaoyu Luo, Chun Sang Yoo, Edward S. Richardson, Jacqueline H. Chen, Chung K. Law, and Tian- feng Lu. Chemical explosive mode analysis for a turbulent lifted ethylene jet flame in highly-heated coflow. Combustion and Flame, 159(1):265–274, 2012 [doi](https://doi.org/10.1016/j.combustflame.2011.05.023)

### **Propane (C3H8)**:
* **Univ. of Southern California - USC (70 Species, 463 Reactions)**: Zhiwei Qin, Vitali V. Lissianski, Huixing Yang, William C. Gardiner, Scott G. Davis, and Hai Wang. Combustion chemistry of propane: A case study of detailed reaction mechanism optimization. Pro- ceedings of the Combustion Institute, 28(2):1663–1669, 2000. [doi](https://doi.org/10.1016/S0082-0784(00)80565-2)
* **Z66 (24 Species, 66 Reactions)**:N. Zettervall, K. Nordin-Bates, E.J.K. Nilsson, and C. Fureby. Large eddy simulation of a premixed bluff body stabilized flame using global and skeletal reaction mechanisms. Combustion and Flame, 179:1–22, 2017. [doi](https://doi.org/10.1016/j.combustflame.2016.12.007)


### **nHeptane (nC7H16)**:
* **Chalmers (42 Species, 168 Reactions)**: Feng Tao, Rolf Reitz, and D. Foster. Revisit of diesel reference fuel (n-heptane) mechanism applied to multidimensional diesel ignition and combustion simulations. In Seventeenth International Multi- dimensional Engine Modeling User’s Group Meeting at the SAE Congress, April 15, 2007, Detroit, Michigan, 2007

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