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Download: Mechanism, Thermochemical,
and Transport Databases in
ChemKin format.
Release notes: JetSurF2.0 consists of
348 species and 2163 reactions. The development effort centers on n-dodecane and n-butyl-cyclohexane, but the model includes also the
high-temperature chemistry of all n-alkanes
up to n-dodecane, and
mono-alkylated cyclohexanes, including n-propylcyclohexane,
ethylcyclohexane, methylcyclohexane and cyclohexane. The model is
“un-tuned” and work-in-progress. The development effort centers on achieving
consistent kinetic parameter assignment and predictions for a wide range of
hydrocarbon compounds. This effort is
reflected in the validation tests documented in the Performance
that we know page.
JetSurF 2.0 is an
extension to JetSurF 1.1
released in September 2009. Some Model Details The base model is USC-Mech II
(111 species, 784 reactions) that describes the oxidation of H2 and CO
and the high-temperature chemistry of C1-C4 hydrocarbons.
The base model considers the pressure dependence for unimolecular and bimolecular chemically activated
reactions, and was validated against experimental data ranging from laminar
flame speeds, ignition delay times behind shock waves, to species profiles in
flow reactors and burner stabilized flames. JetSurF 2.0 was developed
in two steps. In the first step, USC
Mech II was appended by a set of reactions describing the high-temperature
pyrolysis and oxidation of n-alkanes from n-pentane
to n-dodecane, leading to the
release of JetSurF1.0. In the second step, the high-temperature
chemistry of cyclohexane and mono-alkylated cyclohexane was added, leading to
the release of JetSurF1.1. The current version also
includes limited low-temperature chemistry for cyclohexane and the alkylated
cyclohexane compounds, though this part of the model remains weak and
requires further work. Additional model details
may be found on the JetSurF1.0
and JetSurF1.1
web sites. Lennard-Jones
parameters for long-chain alkanes were estimated the correlations of
corresponding states of Tee et al. [1], as discussed in [2]. |
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1. S. Tee, 2. Holley, A. T., You, X., Dames, E., Wang,
H., Egolfopoulos, F. N. Proc. Combust. Inst. 32 (2009) 1157-1163. |