3.1. Symbolic Names

When using a full mechanism in simulations, symbolic species names represent fuel components in the species lists that are displayed for selection of fuel compositions. These symbolic species names are listed for each fuel component in Table 3.1: Names of fuel and emissions species in the MFL mechanisms. With MFL mechanisms, it is possible to model most real fuels by either exactly representing the chemical properties of the fuel or by formulating an appropriate surrogate for a specific fuel. We recommend using Reaction Workbench to first formulate surrogates for liquid fuels using the components in the MFL, and then reduce the appropriate full mechanism for the specific surrogate and specific ranges of operating conditions desired for the application. Details about using Reaction Workbench for formulating surrogates and for mechanism reduction can be found in the Chemkin Reaction Workbench User's Manual, or by visiting the Ansys Help site.

Table 3.1: Names of fuel and emissions species in the MFL mechanisms

Common NameName in MFL mechanismsCommon NameName in MFL mechanisms
Hydrogenh22-methyl-2-butenebc5h10
n-eicosanenc20h421-hexenec6h12-1
n-octadecanenc18h382-hexenec6h12-2
n-hexadecanenc16h343-hexenec6h12-3
n-pentadecanenc15h321-pentenec5h10-1
n-tetradecanenc14h302-pentenec5h10-2
n-tridecanenc13h28Carbon monoxideco
n-dodecanenc12h26Methanolch3oh
n-undecanenc11h24Ethanolc2h5oh
n-decanenc10h22n-Propanolnc3h7oh
n-nonanenc9h20n-Butanolnc4h9oh
n-octanenc8h18i-Butanolic4h9oh
n-heptanenc7h16Tetrahydrofuranc4h8o1-4
n-hexanenc6h14ETFEetfe
n-pentanenc5h12Methyl butanoatemb
n-butanec4h10Methyl palmitatemhd
Propanec3h8Methyl stearatemod
Ethanec2h6Methyl oleatemod9d
Methanech4Methyl linoleatemod9d12d
HeptamethylnonanehmnMethyl linolenatemod9d12d15d
i-dodecaneic12h26DMEch3och3
i-octaneic8h18ETBEC6H14O
2,3,3-Trimethylpentane i233c8h18MTBEmtbe
2,3,4-Trimethylpentane i234c8h18Hydrogen sulfideh2s
i-hexaneic6h14Calcium Carbonatecaco3(s)
Neo-pentaneneoc5h12Butadiynec4h2
iso-pentaneic5h121,3-butadienec4h6
i-butaneic4h10Propenec3h6
Phenylc6h5Allenec3h4-a
Cyclopentadienecy13pdAcetylenec2h2
Benzenec6h6Ethylenec2h4
Toluenec6h5ch3Propargylc3h3
n-Propylbenzenec6h5c3h7Propynec3h4-p
Ethylbenzenec6h5c2h5Formaldehydech2o
n-Butylbenzenea1c4h9Pyrenea4
o-xyleneo-xyleneAcenaphthalenea2r5
m-xylenem-xyleneSoot (surface mechanism)c(B)
p-xylenep-xyleneSoot (pseudo-gas model)soot
1,2,4-trimethyl benzenetmb124Nitric oxideno
CoronenecoroneneNitrogen dioxideno2
NaphthalenenaphNitrous oxiden2o
1-methylnaphthalenea2ch3Ammonianh3
CyclohexanechxOxygeno2
MethylcyclohexanemchNitrogenn2
DecalindecalinCarbon dioxideco2