Gas-phase kinetic mechanisms for different fuels with different levels of accuracy, they are reported also on the creckmodelling website. Current version 2003.
The mechanisms provided 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. Please contact us at [email protected] for questions and comments.
All the mechanisms are freely available in CHEMKIN format (compatible with version 3.6.2 and above). Please contact us at [email protected] for reduced mechanisms and specific fuels (e.g. butanoic acid, DME, MTBE, TAME, methyl-butanoate with NOx and soot, ...).
Several mechanisms are proposed according to the fuel, operating conditions and level of detail in products distribution. The full mechanism accounting for High and Low temperatures, Soot and NOx formation for most fuels is TOT_HT_LT_SOOT_NOX. Simpler mechanisms are available as well, refer to the Table below to choose the appropriate one. For reduced mechanisms and specific fuels, please contact us at [email protected]
Mechanism choice
The following abbreviations are employed: *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)To cite each Kinetic Mechanism refer to the README.md in the corresponding subfolder. The mechanisms available are summarized in the following table. To choose the proper mechanism according to the desired fuel and accuracy, please refer to the Table above.
Mechanism description
The following abbreviations are employed: *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)
| Name | Species | Reactions | Notes |
|---|---|---|---|
| HYDROGEN | 11 | 20 | H2 |
| HYDROGEN_NOX | 31 | 202 | NH3/H2 mixtures |
| AMMONIA | 31 | 202 | NH3/H2 mixtures |
| SYNGAS | 21 | 62 | H2/CO mixtures |
| C1_C3_HT | 114 | 1999 | C1-C3 high-temperature (HT) |
| C1_C3_HT_NOX | 159 | 2459 | C1-C3 high-temperature (HT) and NOx |
| TPRF_HT_ALC | 254 | 7568 | Toluene Primary Reference Fuels (TPRF) high temperature (HT) and Alcohols |
| TPRF_HT_LT_ALC | 339 | 9781 | Toluene Primary Reference Fuels (TPRF) high and low temperature (HT+LT) and Alcohols |
| TPRF_HT_LT_ALC_ETHERS | 356 | 10171 | Toluene Primary Reference Fuels (TPRF) high and low temperature (HT+LT), Alcohols and Esters |
| TPRF_HT_ALC_NOX | 299 | 8028 | Toluene Primary Reference Fuels (TPRF) high temperature (HT), Alcohols and NOx |
| TOT_HT | 368 | 14462 | C1-C16 high temperature (HT) |
| TOT_HT_LT | 492 | 17790 | C1-C16 high and low temperature (HT+LT) |
| TOT_HT_LT_ETHERS | 509 | 182880 | C1-C16 high and low temperature (HT+LT) and Ethers |
| TOT_HT_ME | 402 | 16118 | C1-C16 high temperature (HT) and Methyl-Esters (ME) |
| TOT_HT_LT_ME | 582 | 21174 | C1-C16 high and low temperature (HT+LT) and Methyl-Esters (ME) |
| TOT_HT_NOX | 413 | 14922 | C1-C16 high temperature (HT) and NOx |
| TOT_HT_LT_NOX | 537 | 18250 | C1-C16 high and low temperature (HT+LT) and NOx |
| TOT_HT_SOOT | 452 | 24041 | C1-C16 high temperature (HT) and soot |
| TOT_HT_LT_SOOT | 571 | 26349 | C1-C16 high and low temperature (HT+LT) and soot! |
| TOT_HT_SOOT_NOX | 497 | 24501 | C1-C16 high temperature (HT), soot and NOx |
| TOT_HT_LT_SOOT_NOX | 621 | 27369 | C1-C16 high and low temperature (HT+LT), soot and NOx |