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## Generating Cantera input files | ||
## Library of Chemical Mechanism files | ||
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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) | ||
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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) | ||
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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) | ||
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### **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) | ||
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### **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 |