Reduced mechanisms download

Updated on 5/3/2018

Tianfeng Lu

Email: tlu@engr.uconn.edu

Department of Mechanical Engineering

191 Auditorium Road U-3139

Storrs, CT 06269

Phone: (860) 486-3942

Fax: (860) 486-5088

Instructions to use the skeletal and reduced mechanisms with Chemkin II.

Instructions to use QSSA based reduced mechanisms with CHEMKIN Pro.

HyChem models for real fuels (JP8/A1, Jet-A/A2, JP5/A3, GEVO ATJ/C1, C5, RP2-1, RP2-2, JP10):

HyChem models for jet and rocket fuels (link to Prof. Hai Wang's website at Stanford University).

methane:

A 19-species reduced mechanism, and a 30-species skeletal mechanism for methane-air based on GRI-Mech 3.0 (Latest version)

Citation: T.F. Lu and C.K. Law, "A criterion based on computational singular perturbation for the identification of quasi steady state species: A reduced mechanism for methane oxidation with NO chemistry," Combustion and Flame, Vol.154 No.4 pp.761-774, 2008.

A 13-species reduced mechanism and a 17-species skeletal mechanism for lean methane-air (flame speed only) based on GRI-Mech 1.2.

Citation: R. Sankaran, E.R. Hawkes, J.H. Chen, T.F. Lu, C.K. Law, "Structure of a spatially developing turbulent lean methane-air Bunsen flame," Proceedings of the Combustion Institute 31 (2007) 1291-1298.

ethylene:

A 22-species reduced mechanism and a 32-species skeletal mechanism and for ethylene-air, based on USC-Mech II. (Latest version)

Citation: Z. Luo, C.S. Yoo, E.S. Richardson, J.H. Chen, C.K. Law, and T.F. Lu, "Chemical explosive mode analysis for a turbulent lifted ethylene jet flame in highly-heated coflow," Combustion and Flame, Vol. 159 No. 1, pp. 265-274, 2012.

A 19-species reduced mechanism for ethylene-air, based on the Qin 2000 mechanism for C1-C3.

Citations:

a. T.F. Lu and C.K. Law, "A Directed Relation Graph Method for Mechanism Reduction," Proceedings of the Combustion Institute, Vol.30 No.1 pp.1333-1341, 2005.

b. D.O. Lignell, J.H. Chen, P.J. Smith, T.F. Lu, and C.K. Law, "The effect of flame structure on soot formation and transport in turbulent nonpremixed flames using direct numerical simulation," Combustion and Flame, Vol.151 No.1-2 pp.2-28, 2007.

methane-ethylene-NO:

A 39-species reduced, a 44-species skeletal, and a detailed mechanism for methane-ethylene mixture - air with NO enrichment, based on USC-Mech II and GRI-Mech 3.0 with updated prompt NO pathways

Citation: Z. Luo, T.F. Lu, and J. Liu, "A Reduced Mechanism for Ethylene/Methane Mixtures with Excessive NO Enrichment," Combustion and Flame, Vol. 158 No. 7 pp. 1245-1254, 2011.

ethanol:

A 28-species reduced and a 40-species skeletal mechanism for HCCI of ethanol with NO formation.

Citations:

a. H. Zhang, E.R. Hawkes, S. Kook, Z. Luo, T.F. Lu, "Computational investigations of the effects of thermal stratification in an ethanol-fuelled HCCI engine," Fuel, submitted.

b. A. Bhagatwala, J.H. Chen, T.F. Lu, "Direct numerical simulations of HCCI/SACI with ethanol," Combust. Flame, Vol. 161 No. 7 pp. 1826-1841, 2014.

DME:

A 30-species reduced mechanism and a 39-species skeletal mechanism for DME-air, based on [Zhao et al., Int. J. Chem. Kinetic. 40 (2008) 1-18].

Citation: A. Bhagatwala, Z. Luo, T.F. Lu, H. Shen, J.A. Sutton, J.H. Chen, "Numerical and experimental investigation of turbulent DME jet flames," Proceedings of the Combustion Institute, 35(2) 1157-1166, 2015.

n-heptane, iso-octane, PRF:

Skeletal and reduced models for Toluene-PRF(TPRF)-ethanol blends as gasoline surrogates, based on the detailed LLNL gasoline surrogate mechanism. (Latest version)

Y. Wu, P. Pal, S. Som, T. Lu, "A skeletal chemical kinetic mechanism for gasoline and gasoline/ethanol blend surrogates for engine CFD applications," The 10th International Conference on Chemical Kinetics, Chicago, 21-25 May 2017.
P. Pal, Y. Wu, T.F. Lu, S. Som, Y.C. See, A. Le Moine, "Multi-dimensional CFD simulations of knocking combustion in a CFR engine," Journal of Energy Resources Technology, DOI:10.1115/1.4040063, 140(10) 102205 2018.

A 116-species reduced mechanism and a 171-species skeletal mechanism for PRF - air (suitable for HCCI conditions), based on the detailed LLNL PRF mechanism (version 3). (Latest version)

Citation: M.B. Luong, Z. Luo, T.F. Lu, S.H. Chung, C.S. Yoo, "Direct numerical simulations of the ignition of lean primary reference fuel/air mixtures under HCCI condition," Combustion and Flame, Vol. 160 No. 10 pp. 2038-2047, 2013.

A 99-species reduced mechanism and a 143-species skeletal mechanism (140 species after isomer lumping) for isooctane - air (suitable for HCCI conditions), based on the detailed LLNL iso-octane mechanism (version 3). (Latest version)

Citation: C.S. Yoo, Z. Luo, T.F. Lu, H. Kim, J.H. Chen, "DNS study of the ignition of a lean iso-octane/air mixture under HCCI and SACI conditions," Proceedings of the Combustion Institute, Vol. 34 No. 2 pp. 2985-2993, 2012.

A 58-species reduced mechanism (with chemical stiffness), an 88-species skeletal mechanism, and a 188-species skeletal mechanism for n-heptane - air (suitable for HCCI conditions), based on the detailed LLNL n-heptane mechanism (version 2). (Latest version)

Citation: C.S. Yoo, T.F. Lu, J.H. Chen, C.K. Law, "Direct numerical simulations of ignition of a lean n-heptane/air mixture with temperature inhomogeneities at constant volume: Parametric study," Combustion and Flame, Vol. 158 No. 9 pp.1727-1741, 2011.

A 52-species reduced mechanism and a 68-species skeletal mechanism for n-heptane - air (equivalence ratio > 0.5), based on the detailed LLNL n-heptane mechanism (version 2).

Citation: T.F. Lu, C.K. Law, C.S. Yoo, and J.H. Chen, "Dynamic Stiffness Removal for Direct Numerical Simulations," Combustion and Flame, Vol. 156 No. 8 pp.1542-1551, 2009.

A 188-species skeletal mechanism for n-heptane and a 233-species skeletal mechanism for iso-octane, based on the LLNL mechanisms (version 2).

Citation: T.F. Lu and C.K. Law, "Linear-Time Reduction of Large Kinetic Mechanisms with Directed Relation Graph: n-Heptane and iso-Octane," Combustion and Flame, Vol.144 No.1-2 pp.24-36, 2006.

n-dodecane:

A 54-species skeletal model for n-dodecane/air with tuned semi-global NTC steps.

Citation: T. Yao, Y. Pei, B.J. Zhong, S. Som, T.F. Lu, K.H. Luo, "A compact skeletal mechanism for n-dodecane with optimized semi-global ! low-temperature chemistry for diesel engine simulations," Fuel, 191 339-349, 2017.

A 24-species reduced mechanism and 31-species skeletal mechanism for n-dodecane/air based on JetSurF 1.0 with lumped fuel cracking reactions for high-temperature applications only (ignition at 1000K and above, extinction, flame speed etc), without low-T chemistry.

Citation: A. Vie, B. Franzelli, Y. Gao, T.F. Lu, H. Wang, M. Ihme, "Analysis of segregation and bifurcation in turbulent spray flames: a 3D counterflow configuration," Proceedings of the Combustion Institute, Proceedings of the Combustion Institute, 35(2) 1675-1683, 2015.

A 106-species skeletal mechanism for n-dodecane-air (with NTC chemistry), based on the LLNL mechanisms for 2-methyl alkanes.

Citation: Z. Luo, S. Som, S.M. Sarathy, M. Plomer, W.J. Pitz, D.E. Longman, T.F. Lu, "Development and Validation of an n-Dodecane Skeletal Mechanism for Diesel Spray-Combustion Applications," Combustion and Theory Modeling, 18 (2) 187-203, 2014.

biodiesel:

A 115-species skeletal mechanism for biodiesel (methyl decanoate, methyl 9-decenoate and n-heptane) - air with low temperature chemistry, based on the LLNL mechanism with updated subcomponents for large alkanes, obtained by utilizing error cancellation. (Latest version)

Citation: Z. Luo, M. Plomer, T.F. Lu, S. Som, D.E. Longman, S.M. Sarathy, W.J. Pitz, "A Reduced Mechanism for Biodiesel Surrogates for Compression Ignition Engine Applications," Fuel, Vol. 99 pp. 143-153, 2012.

A 118-species skeletal mechanism for biodiesel (methyl decanoate, methyl 9-decenoate and n-heptane) - air for high temperature applications (T>1000K), based on the LLNL mechanism.

Citation: Z. Luo, T.F. Lu, M.J. Maciaszek, S. Som, and D.E. Longman, "A Reduced Mechanism for High Temperature Oxidation of Biodiesel Surrogates," Energy & Fuels, Vol. 24 No. 12 pp.6283-6293, 2010.

A 123-species skeletal mechanism for biodiesel (methyl decanoate, methyl 9-decenoate and n-heptane) - air with low temperature chemistry, based on the LLNL mechanism.

Citation: Z. Luo, M. Plomer, T.F. Lu, S. Som, and D.E. Longman, "A Reduced Mechanism for Biodiesel Surrogates with Low Temperature Chemistry for Compression Ignition Engine Application," Combustion Theory and Modeling, Vol. 16 No. 2 pp.369-385, 2012.