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 Name | Name in MFL mechanisms | Common Name | Name in MFL mechanisms |
Hydrogen | h2 | 2-methyl-2-butene | bc5h10 |
n-eicosane | nc20h42 | 1-hexene | c6h12-1 |
n-octadecane | nc18h38 | 2-hexene | c6h12-2 |
n-hexadecane | nc16h34 | 3-hexene | c6h12-3 |
n-pentadecane | nc15h32 | 1-pentene | c5h10-1 |
n-tetradecane | nc14h30 | 2-pentene | c5h10-2 |
n-tridecane | nc13h28 | Carbon monoxide | co |
n-dodecane | nc12h26 | Methanol | ch3oh |
n-undecane | nc11h24 | Ethanol | c2h5oh |
n-decane | nc10h22 | n-Propanol | nc3h7oh |
n-nonane | nc9h20 | n-Butanol | nc4h9oh |
n-octane | nc8h18 | i-Butanol | ic4h9oh |
n-heptane | nc7h16 | Tetrahydrofuran | c4h8o1-4 |
n-hexane | nc6h14 | ETFE | etfe |
n-pentane | nc5h12 | Methyl butanoate | mb |
n-butane | c4h10 | Methyl palmitate | mhd |
Propane | c3h8 | Methyl stearate | mod |
Ethane | c2h6 | Methyl oleate | mod9d |
Methane | ch4 | Methyl linoleate | mod9d12d |
Heptamethylnonane | hmn | Methyl linolenate | mod9d12d15d |
i-dodecane | ic12h26 | DME | ch3och3 |
i-octane | ic8h18 | ETBE | C6H14O |
2,3,3-Trimethylpentane | i233c8h18 | MTBE | mtbe |
2,3,4-Trimethylpentane | i234c8h18 | Hydrogen sulfide | h2s |
i-hexane | ic6h14 | Calcium Carbonate | caco3(s) |
Neo-pentane | neoc5h12 | Butadiyne | c4h2 |
iso-pentane | ic5h12 | 1,3-butadiene | c4h6 |
i-butane | ic4h10 | Propene | c3h6 |
Phenyl | c6h5 | Allene | c3h4-a |
Cyclopentadiene | cy13pd | Acetylene | c2h2 |
Benzene | c6h6 | Ethylene | c2h4 |
Toluene | c6h5ch3 | Propargyl | c3h3 |
n-Propylbenzene | c6h5c3h7 | Propyne | c3h4-p |
Ethylbenzene | c6h5c2h5 | Formaldehyde | ch2o |
n-Butylbenzene | a1c4h9 | Pyrene | a4 |
o-xylene | o-xylene | Acenaphthalene | a2r5 |
m-xylene | m-xylene | Soot (surface mechanism) | c(B) |
p-xylene | p-xylene | Soot (pseudo-gas model) | soot |
1,2,4-trimethyl benzene | tmb124 | Nitric oxide | no |
Coronene | coronene | Nitrogen dioxide | no2 |
Naphthalene | naph | Nitrous oxide | n2o |
1-methylnaphthalene | a2ch3 | Ammonia | nh3 |
Cyclohexane | chx | Oxygen | o2 |
Methylcyclohexane | mch | Nitrogen | n2 |
Decalin | decalin | Carbon dioxide | co2 |