This page contains the reaction models in Cantera format. To download reaction models in Chemkin format, please visit here.

Click the model of interest for download, and refer to the last column for citation.


Fuel

High-T
"detailed"

High-T
skeletala

High-T
reduceda

NTC enabled
"detailed"

NTC enabled
skeletala

NTC enabled
reduceda

References
to cite

A1 (JP-8)

A1highT.cti

A1skeletal.cti

N/A

A1NTC.cti

N/A

N/A

[1,2]

A2 (Jet A)

A2highT.cti

A2skeletal.cti

N/A

A2NTC.cti

A2NTC_skeletal.cti

N/A

[1,2]

A2 (with NOx)b

A2NOx.cti

A2NOx_skeletal.cti

N/A

N/A

N/A

N/A

[5]

A2 (fast NTC)c

N/A

N/A

N/A

A2NTCfast.cti

A2NTCfast_ske.cti

N/A

[1,2]

A2 (slow NTC)c

N/A

N/A

N/A

A2NTCslow.cti

N/A

N/A

[1,2]

A3 (JP-5)

A3highT.cti

A3skeletal.cti

N/A

A3NTC.cti

A3NTC_skeletal.cti

N/A

[1,2]

RP2-1

R1highT.cti

R1skeletal.cti

N/A

N/A

N/A

N/A

[1,2]

RP2-1
(with NOx)d

N/A

R1NOx_skeletal.cti

N/A

N/A

N/A

N/A

e

RP2-2

R2highT.cti

R2skeletal.cti

N/A

N/A

N/A

N/A

[1,2]

RP2-2
(with NOx)d

N/A

R2NOx_skeletal.cti

N/A

N/A

N/A

N/A

e

JP-10

JP10highT.cti

JP10skeletal.cti

N/A

N/A

N/A

N/A

[3]

C1 (GEVO ATJ)

C1highT.cti

C1skeletal.cti

N/A

N/A

N/A

N/A

[4]

C1
(with NOx)d

N/A

C1NOx_skeletal.cti

N/A

N/A

N/A

N/A

f

C1/A2 blendg

C1A2highT.cti

C1A2skeletal.cti

N/A

N/A

N/A

N/A

[4]

C1/A2 blend
(with NOx)d

N/A

C1A2NOx_skeletal.cti

N/A

N/A

N/A

N/A

h

Shell A (gasoline)

ShellA_highTonly.cti

N/A

N/A

ShellA_full.cti

ShellA_skeletal.cti

N/A

[6]

Shell D (gasoline)

ShellD_highTonly.cti

N/A

N/A

ShellD_full.cti

ShellD_skeletal.cti

N/A

[6]

C5

C5highT.cti

C5skeletal.cti

N/A

N/A

N/A

N/A

i

a Generated by T.-F. Lu of UConn. The reduced models in Cantera format are currently unavailable since they require the use of a Chemkin compatible subroutine library (_ckwyp.f) to handle the QSST species. All the skeletal models generated in Chemkin format are converted into Cantera format and available for download.

b The NOx-enabled HyChem model combines the A2 (Jet A) HyChem model (A2highT.txt) and the NOx chemistry by Glarborg et al. (Ref. [7]) No modification of the reaction kinetics is applied to either model.

c The "A2 (fast NTC)" fuel represents the upperlimit of NTC activities (the lowest cetane number) among jet fuels known, while the "A2 (slow NTC)" fuel represents the lowerlimit of the NTC activities (the highest cetane number). The NTC behavior of the latter fuel is identical to the NTC behavior of the A3 fuel. The two sets of reaction models for each fuel use identical high-temperature chemistry. For details, please refer to Fig. 17 of Ref. [2].

d The reduced NOx-enabled HyChem models of RP2-1, RP2-2, C1, and C1/A2 blend were generated by combining the respective original HyChem model with the NOx model of Glarborg et al. [7] followed by model reduction by T.-F. Lu at UConn. With the exception of the A2 fuel [5], none of the other models have been tested against experimental data, though NOx formation from these fuels is not expected to be sensitive to fuel-specific chemistry.

e Cite the RP2-1/RP2-2 skeletal and reduced NOx-enabled HyChem models as "Ji-Woong Park, Rui Xu, Tianfeng Lu, Hai Wang, Skeletal and reduced model of NOx formation in RP2 rocket fuel, https://web.stanford.edu/group/haiwanglab/HyChem/pages/download.html, 2019."

f Cite the C1 skeletal and reduced NOx-enabled HyChem models as "Ji-Woong Park, Rui Xu, Tianfeng Lu, Hai Wang, Skeletal and reduced model of NOx formation in C1 (GEVO ATJ) synthetic jet fuel, https://web.stanford.edu/group/haiwanglab/HyChem/pages/download.html, 2019."

g The C1/A2 blend model combines the pyrolysis submodel of C1 and A2 with USC Mech IIa as the foundational fuel chemistry model.

h Cite the C1/A2 skeletal and reduced NOx-enabled HyChem models as "Ji-Woong Park, Rui Xu, Tianfeng Lu, Hai Wang, Skeletal and reduced model of NOx formation in C1/A2 jet fuel blend, https://web.stanford.edu/group/haiwanglab/HyChem/pages/download.html, 2019."

i Cite the model as "Hai Wang, personal communication, 2016," and state that the method with which the model is derived can be found in [1,2].


References

[1]  H. Wang, R. Xu, K. Wang, C.T. Bowman, D.F. Davidson, R.K. Hanson, K. Brezinsky, F.N. Egolfopoulos, A physics-based approach to modeling real-fuel combustion chemistry - I. Evidence from experiments, and thermodynamic, chemical kinetic and statistical considerations, Combustion and Flame 193 (2018) 502-519.

[2]  R. Xu, K. Wang, S. Banerjee, J. Shao, T. Parise, Y. Zhu, S. Wang, A. Movaghar, D.J. Lee, R. Zhao, X. Han, Y. Gao, T. Lu, K. Brezinsky, F.N. Egolfopoulos, D.F. Davidson, R.K. Hanson, C.T. Bowman, H. Wang, A physics-based approach to modeling real-fuel combustion chemistry - II. Reaction kinetic models of jet and rocket fuels, Combustion and Flame 193 (2018) 520-537.

[3]  Y. Tao, R. Xu, K. Wang, J. Shao, S.E. Johnson, A. Movaghar, X. Han, J. Park, T. Lu, K. Brezinsky, F.N. Egolfopoulos, D.F. Davidson, R.K. Hanson, C.T. Bowman, H. Wang, A physics-based approach to modeling real-fuel combustion chemistry - III. Reaction kinetic model of JP10, Combustion and Flame 198 (2018) 466–476.

[4]  K. Wang, R. Xu, T. Parise, J. Shao, A. Movaghar, D.J. Lee, J. Park, Y. Gao, T. Lu, F.N. Egolfopoulos, D.F. Davidson, R.K. Hanson, C.T. Bowman, H. Wang, A physics-based approach to modeling real-fuel combustion chemistry - IV. HyChem Modeling of Combustion Kinetics of a Bio-derived Jet Fuel and Its Blends with a Conventional Jet A, Combustion and Flame 198 (2018) 477–489.

[5]  C. Saggese, K. Wan, R. Xu, Y. Tao, C.T. Bowman, J. Park, T. Lu, H. Wang, A physics-based approach to modeling real-fuel combustion chemistry - V. NOx formation from a typical Jet A, Combustion and Flame 212 (2020) 270-278.

[6]  R. Xu, C. Saggese, R. Lawson, A. Movaghar, T. Parise, J.Shao, R. Choudhary, J. Park, T. Lu, R.K. Hanson, D.F. Davidson, F.N. Egolfopoulos, A. Aradi, A. Prakash, V.R.R. Mohan, R. Cracknell, H. Wang, A physics-based approach to modeling real-fuel combustion chemistry - VI. Predictive kinetic models of gasoline fuels, Combustion and Flame 220 (2020) 475-487.

[7]  P. Glarborg, J.A. Miller, B. Ruscic, S.J. Klippenstein, Modeling nitrogen chemisry in combustion, Progress in Energy and Combustion Science 67 (2018) 31–68.