A sample fuel properties file, SBO_fuels_data.inp, is provided in the System Data directory for use with the Surrogate Blend Optimizer. Table 4.2: Components in the fuel-property file included with Reaction Workbench lists the components in the provided fuel-property file.
Table 4.2: Components in the fuel-property file included with Reaction Workbench
|
Fuel Class |
Component |
Symbolic name |
|---|---|---|
|
hydrogen |
hydrogen |
h2 |
|
n-alkanes |
n-hexadecane |
nc16h34 |
|
n-tetradecane |
nc14h30 | |
|
n-dodecane |
nc12h26 | |
|
n-decane |
nc10h22 | |
|
n-heptane |
nc7h16 | |
|
n-hexane |
nc6h14 | |
|
n-pentane |
nc5h12 | |
|
n-butane |
c4h10 | |
|
propane |
c3h8 | |
|
ethane |
c2h6 | |
|
methane |
ch4 | |
|
iso-alkanes |
heptamethylnonane |
hmn |
|
i-octane |
ic8h18 | |
|
i-butane |
ic4h10 | |
|
1-ring aromatics |
Benzene |
c6h6 |
|
Toluene |
c6h5ch3 | |
|
n-propylbenzene |
c6h5c3h7 | |
| n-butylbenzene | a1c4h9 | |
|
Ethylbenzene |
c6h5c2h5 | |
|
o-xylene |
o-xylene | |
|
m-xylene |
m-xylene | |
|
p-xylene |
p-xylene | |
|
1,2,4-trimethyl benzene |
tmb124 | |
|
2-ring aromatics |
naphthalene |
naph |
|
1-methylnaphthalene |
a2ch3 | |
|
Cycloalkanes/ naphthenes |
Cyclohexane |
chx |
|
Methylcyclohexane |
mch | |
|
Decalin |
decalin | |
|
olefins |
2-methyl-2-butene |
bc5h10 |
|
1-hexene |
c6h12-1 | |
|
2-hexene |
c6h12-2 | |
|
3-hexene |
c6h12-3 | |
|
1-pentene |
c5h10-1 | |
|
2-pentene |
c5h10-2 | |
|
oxygenated fuels |
Carbon Monoxide |
co |
|
Methanol |
ch3oh | |
|
Ethanol |
c2h5oh | |
|
n-Butanol |
nc4h9oh | |
|
Tetrahydrofuran |
c4h8o1-4 | |
|
ETFE |
etfe | |
|
Methyl butanoate |
mb | |
|
Methyl palmitate |
mhd | |
|
Methyl stearate |
mod | |
|
Methyl oleate |
mod9d | |
|
Methyl linoleate |
mod9d12d | |
|
Methyl linolenate |
mod9d12d15d | |
|
Additives |
DME |
ch3och3 |
|
ETBE |
C6H14O | |
|
Soot Precursors and Emissions Pathways |
1-3-butadiene |
c4h6 |
|
Propene |
c3h6 | |
|
Allene |
c3h4-a | |
|
Acetylene |
c2h2 | |
|
Ethylene |
c2h4 | |
|
Propyne |
c3h4-p | |
|
Formaldehyde |
ch2o |