Skip to content

Latest commit

 

History

History
86 lines (74 loc) · 18.3 KB

File metadata and controls

86 lines (74 loc) · 18.3 KB

Gasoline-Biogasoline-Kinetic-Mechanisms (v. 2003)

Gasoline and Biogasoline kinetic models for different fuels with different levels of accuracy. Current version 2003. Most of the mechanisms are available with or without NOx and soot submodules. Please contact us at creckmodeling-dcmc@polimi.it 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 creckmodeling-dcmc@polimi.it for reduced mechanisms and specific fuels (e.g. butanoic acid, DME, MTBE, TAME, methyl-butanoate with NOx and soot, ...).

Choice of Kinetic Mechanism

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 creckmodeling-dcmc@polimi.it

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)
Fuel component Real Fuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
nC5H12 LPG HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
nC7H16 Gasoline HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
iC4H10 Natural gas/LPG HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
iC8H18 Gasoline HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
C6H6 Gasoline HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
C6H5CH3 Gasoline HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Cyclo-hexane Gasoline/JetFuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Methyl-cyclo-hexane Gasoline/JetFuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Decalin JetFuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Acetic Acid Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Butanoic Acid Bio-oil mail us mail us mail us mail us mail us mail us mail us mail us
Pentanoic Acid Bio-oil mail us mail us mail us mail us mail us mail us mail us mail us
Ethanol Biogasoline HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
i-propanol Biofuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
n-propanol Biofuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
n-butanol Biofuel/Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
n-pentanol Biofuel/Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
n-hexanol Biofuel/Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Iso-butanol Biofuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
ter-butanol Biofuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
2-butanol Biofuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Iso-pentanol Biofuel HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Propanal Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
n-butanal Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
n-pentanal Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
n-hexanal Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
Iso-butanal Bio-oil HT HT+LT HT+NOx HT+LT+NOx HT+SOOT HT+LT+SOOT HT+NOx+SOOT HT+LT+NOx+SOOT
DME Gasoline HT HT+LT mail us mail us mail us mail us mail us mail us
MTBE Gasoline HT HT+LT mail us mail us mail us mail us mail us mail us
DIPE Gasoline HT HT+LT mail us mail us mail us mail us mail us mail us
TAME Gasoline HT HT+LT mail us mail us mail us mail us mail us mail us
ETBE Gasoline HT HT+LT mail us mail us mail us mail us mail us mail us

Kinetic Model Description

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
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