The CRECK Modeling Group

Download here our detailed kinetic mechanisms for hydrocarbon fuels

 

The kinetic mechanisms provided by CRECK Modeling at Politecnico di Milano are hierarchically organized: moving from syngas up to large mechanisms for jet-fuels and diesel fuels. All the mechanisms are self consistent, i.e., they already include the previous sub-mechanisms. Most of the mechanisms are available with or without NOx and soot submodules.

All the mechanisms are freely available in CHEMKIN format (compatible with version 3.6.2 and above).

Please This email address is being protected from spambots. You need JavaScript enabled to view it. for questions and comments.

 

Detailed mechanisms

ijckRanzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of Chemical Kinetics, 46 (9), pp. 512-542, DOI: 10.1002/kin.20867

cfRanzi, E., Cavallotti, C., Cuoci, A., Frassoldati, A., Pelucchi, M., Faravelli, T., New reaction classes in the kinetic modeling of low temperature oxidation of n-alkanes (2015) Combustion and Flame, 162 (5), pp. 1679-1691, DOI: 10.1016/j.combustflame.2014.11.030

The CRECK Modeling Group

E. Ranzi, A. Frassoldati, R. Grana, A. Cuoci, T. Faravelli, A.P. Kelley, C.K. Law, Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels, Progress in Energy and Combustion Science, 38 (4), pp. 468-501 (2012), DOI: 10.1016/j.pecs.2012.03.004

cf creckFrassoldati, A., Cuoci, A., Faravelli, T., Niemann, U., Ranzi, E., Seiser, R., Seshadri, K., An experimental and kinetic modeling study of n-propanol and iso-propanol combustion, Combustion and Flame, 157 (1), pp. 2-16 (2010) DOI: 10.1016/j.combustflame.2009.09.002

 

Download the mechanisms (Version 2003, March 2020)

The following table reports the kinetic mechanisms available for each fuel. Please, click on the corresponding cell to have more details and download the CHEMKIN files.

HT = high-temperature mechanism

LT = low-temperature mechanism

NOX = sub-module for nitrogen-oxides

Soot = sub-module for soot particles (based on the Discrete Sectional model)

 

Fuel
Real fuel
HT
HT+LT
HT
NOX
HT+LT
NOX
HT
Soot
HT+LT
Soot
HT
NOX+Soot
HT+LT
NOX+Soot
H2 Syngas  Download   
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CO Syngas Download   Download   Download   Download  
NH3 Ammonia Download   Download   Download   Download  
CH4 Natural gas  Download   Download   Download   Download  
C2H4 Natural gas  Download   Download   Download   Download  
C2H6 Natural gas  Download   Download   Download   Download  
C3H6

Natural gas

LPG

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C3H8

Natural gas

LPG

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Natural gas

LPG

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Diesel

Jet-fuel

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Diesel

Jet-fuel

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LPG 

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Diesel

Jet-fuel 

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Jet-fuel

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Jet-fuel

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Diesel

Jet-fuel

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Diesel

Jet-fuel

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Jet-fuel

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List of mechanisms

This is the list of mechanisms available from CRECK Modeling Group. Please, click on the mechanism name to have more details and download the corresponding CHEMKIN files.

  Name Species Reactions Notes
1 CRECK_2003_SYNGAS 21 62 H2/CO mixtures
2 CRECK_2003_C1_C3_HT 114 1999 C1-C3 high-temperature (HT)
3 CRECK_2003_C1_C3_HT_NOX 159 2459 C1-C3 high-temperature (HT) and NOx
4 CRECK_2003_TOT_HT 368 14462 C1-C16 high temperature (HT)
5 CRECK_2003_TOT_HT_LT 492 17790 C1-C16 high and low temperature (HT+LT)
6 CRECK_2003_TOT_HT_NOX 413 14922 C1-C16 high temperature (HT) and NOx
7 CRECK_2003_TOT_HT_LT_NOX 537 18250 C1-C16 high and low temperature (HT+LT) and NOx
8 CRECK_2003_TOT_HT_SOOT 452 24041 C1-C16 high temperature (HT) and soot
9 CRECK_2003_TOT_HT_LT_SOOT 571 26349 C1-C16 high and low temperature (HT+LT) and soot
10 CRECK_2003_TOT_HT_ME 402 16118 C1-C16 high temperature (HT) and Methyl-Esters (ME)
11 CRECK_2003_TOT_HT_LT_ME 582 21174 C1-C16 high and low temperature (HT+LT) and Methyl-Esters (ME)
12 CRECK_2003_TOT_HT_SOOT_NOX 497 24501 C1-C16 high temperature (HT), soot and NOx
13 CRECK_2003_TOT_HT_LT_SOOT_NOX 621 27369 C1-C16 high and low temperature (HT+LT), soot and NOx
14 CRECK_2003_TPRF_HT_ALC 254 7568 Toluene Primary Reference Fuels (TPRF) high temperature (HT) and Alcohols
15 CRECK_2003_TPRF_HT_LT_ALC 339 9781 Toluene Primary Reference Fuels (TPRF) high and low temperature (HT+LT) and Alcohols
16 CRECK_2003_TPRF_HT_ALC_NOX 299 8028 Toluene Primary Reference Fuels (TPRF) high temperature (HT), Alcohols and NOx
17 CRECK_2003_TPRF_HT_LT_ALC_ETHERS 356 10171 Toluene Primary Reference Fuels (TPRF) high and low temperature (HT+LT), Alcohols and Esters

 

Try the OpenSMOKE++ Suite

Do you need to simulate ideal reactors or laminar 1D flames? Why do not try the OpenSMOKE++ Suite from CRECK Modeling Lab? The OpenSMOKE++ Suite is a collection of standard solvers for modeling the typical systems of interest in developing and testing detailed kinetic mechanisms (including thousands of species and reactions).

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