C3MechLiteV4.0.1 and C3MechCoreV4.0.1 are available.
C3MechLiteV4.0.1 and C3MechCoreV4.0.1 are two reduced reaction mechanisms targeting C0–C3 chemical species, including NH3. This repository is linked to the publication "C3MechLite: An integrated component library of compact kinetic mechanisms for low-carbon, carbon neutral and zero-carbon fuels" and its "Corrigendum".
| Mechanism | Species | Reactions | Fuel |
|---|---|---|---|
| C3MechCoreV4.0.1 | 118 | 1006 | C3MechLite + C2H6-C2H5OH-CH3OCH3-C3H8 |
| C3MechLiteV4.0.1 | 61 | 519 | H2-CO-NH3-CH4-NG-NOx |
| H2_11sp | 11 | 30 | H2 |
| H2-CO_14sp | 14 | 42 | H2-CO |
| H2-NOx_19sp | 19 | 92 | H2-NOx |
| H2-CO-NOx_22sp | 22 | 108 | H2-CO-NOx |
| H2-NH3_25sp | 25 | 166 | H2-NH3 |
| H2-CO-NH3_29sp | 29 | 196 | H2-CO-NH3 |
| H2-CH4_36sp | 36 | 259 | CH4, H2-CH4 |
| H2-NG_45sp | 45 | 335 | NG, H2-NG |
| H2-CO-NH3-CH4-NOx_53sp | 53 | 445 | H2-CO-NH3-CH4-NOx |
Note that all numbers of species and reactions are based on Cantera-format mechanisms (reference values). CHEMKIN-Pro mechanisms show different reaction counts because LOWMX/TROEMX and LOWSP/TROESP encode species-specific falloff behavior inside grouped reactions.