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

Click the model of interest for download, and refer to the last column for citation. Thermochemical and transport data can be found below the model table.

The "detailed" and skeletal models are in the Chemkin format. They should work with Chemkin Pro except the number of allowable species must be changed from the default value to 12. That is, add the MAXSP value on the "REACTIONS" line of the mechanism file, i.e., "REACTIONS MAXSP=12".
The reduced models also use the Chemkin format, but they require the use of a ChemKin compatible subroutine library to handle the QSST species. The subroutine (_ckwyp.f) is a part of the download.

Fuel	High-T "detailed"	High-T skeletal^a	High-T reduced^a	NTC enabled "detailed"	NTC enabled skeletal^a	NTC enabled reduced^a	References to cite
A1 (JP-8)	A1highT.txt	A1skeletal.txt	A1reduced.txt A1ckwyp.f	A1NTC.txt	N/A	N/A	[1,2]
A2 (Jet A)	A2highT.txt	A2skeletal.txt	A2reduced.txt A2ckwyp.f	A2NTC.txt	A2NTC_skeletal.txt	A2NTC_reduced.txt A2NTC_ckwyp.f	[1,2]
A2 (with NO_x)^b	A2NOx.txt	A2NOx_skeletal.txt	A2NOx_reduced.txt A2NOx_ckwyp.f	N/A	N/A	N/A	[5]
A2 (fast NTC)^c	N/A	N/A	N/A	A2NTCfast.txt	A2NTCfast_ske.txt	A2NTCfast_red.txt A2NTCfast_ckwyp.f	[1,2]
A2 (slow NTC)^c	N/A	N/A	N/A	A2NTCslow.txt	N/A	N/A	[1,2]
A3 (JP-5)	A3highT.txt	A3skeletal.txt	A3reduced.txt A3ckwyp.f	A3NTC.txt	A3NTC_skeletal.txt	A3NTC_reduced.txt A3NTC_ckwyp.f	[1,2]
RP2-1	R1highT.txt	R1skeletal.txt	R1reduced.txt R1ckwyp.f	N/A	N/A	N/A	[1,2]
RP2-1 (with NO_x)^d	N/A	R1NOx_skeletal.txt	R1NOx_reduced.txt R1NOx_ckwyp.f	N/A	N/A	N/A	e
RP2-2	R2highT.txt	R2skeletal.txt	R2reduced.txt R2ckwyp.f	N/A	N/A	N/A	[1,2]
RP2-2 (with NO_x)^d	N/A	R2NOx_skeletal.txt	R2NOx_reduced.txt R2NOx_ckwyp.f	N/A	N/A	N/A	e
JP-10	JP10highT.txt	JP10skeletal.txt	JP10reduced.txt JP10ckwyp.f	N/A	N/A	N/A	[3]
C1 (GEVO ATJ)	C1highT.txt	C1skeletal.txt	C1reduced.txt C1ckwyp.f	N/A	N/A	N/A	[4]
C1 (with NO_x)^d	N/A	C1NOx_skeletal.txt	C1NOx_reduced.txt C1NOx_ckwyp.f	N/A	N/A	N/A	f
C1/A2 blend^g	C1A2highT.txt	C1A2skeletal.txt	C1A2reduced.txt C1A2ckwyp.f	N/A	N/A	N/A	[4]
C1/A2 blend (with NO_x)^d	N/A	C1A2NOx_skeletal.txt	C1A2NOx_reduced.txt C1A2NOx_ckwyp.f	N/A	N/A	N/A	h
Shell A (gasoline)	ShellA_highTonly.txt	N/A	N/A	ShellA_full.txt	ShellA_skeletal.txt	ShellA_reduced.txt ShellA_ckwyp.f	[6]
Shell D (gasoline)	ShellD_highTonly.txt	N/A	N/A	ShellD_full.txt	ShellD_skeletal.txt	ShellD_reduced.txt ShellD_ckwyp.f	[6]
C5	C5highT.txt	C5skeletal.txt	C5reduced.txt C5ckwyp.f	N/A	N/A	N/A	i

^a Generated by T.-F. Lu of UConn.

^b The NO_x-enabled HyChem model combines the A2 (Jet A) HyChem model (A2highT.txt) and the NO_x 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 NO_x-enabled HyChem models of RP2-1, RP2-2, C1, and C1/A2 blend were generated by combining the respective original HyChem model with the NO_x 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 NO_x formation from these fuels is not expected to be sensitive to fuel-specific chemistry.

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

^f Cite the C1 skeletal and reduced NO_x-enabled HyChem models as "Ji-Woong Park, Rui Xu, Tianfeng Lu, Hai Wang, Skeletal and reduced model of NO_x 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 NO_x-enabled HyChem models as "Ji-Woong Park, Rui Xu, Tianfeng Lu, Hai Wang, Skeletal and reduced model of NO_x 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].

Thermochemical data (applicable to all models listed)

Transport data (applicable to all models listed)

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. NO_x 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.