Lawrence Livermore National Laboratory



A kinetic mechanism describing the oxidation of n-dodecane/m-xylene mixture was assembled based on recently published kinetic mechanisms developed by the Lawrence Livermore National Laboratory. The detailed multi-component mechanism for n-dodecane and m-xylene was developed by combining the previously developed n-dodecane mechanism [1] with a recently developed mechanism detailing the combustion of the xylene isomers [2].

The two parent mechanisms were individually validated against an extensive set of experimental data for both the fuels, including ignition delay time, speciation and laminar flame speed data. The detailed mechanisms, containing 2885 species and 11754 reactions, has been reduced using a combination of directed relation graph (DRG) with expert knowledge (DRG-X) [3] and DRG-aided sensitivity analysis (DRGASA) algorithms coupled with isomer lumping. The resulting mechanism, including 163 species and 887 reactions, has been successfully applied to the simulation of 3D diesel-like spray combustion using a commercially available CFD code [4].

Download files (CHEMKIN format):

Detailed mechanism

Reduced mechanism (163 species):

Reference for Mechanism

Y. Pei, M. Mehl, W. Liu, T. Lu, W. J. Pitz and S. Som, "A Multi-Component Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications," Journal of Engineering for Gas Turbines and Power , GTP-15-1057 (2015).

References

  1. S.M. Sarathy, C.K. Westbrook, M. Mehl, W.J. Pitz, C. Togbe, P. Dagaut, H. Wang, M.A. Oehlschlaeger, U. Niemann, K. Seshadri, and others, Combust. Flame, 158 (12) (2011) 2338 – 2357.
  2. M. Mehl, W.J. Pitz, C.K. Westbrook, S.M. Sarathy, Fifth European Combustion Meeting (ECM2011), Cardiff University, Wales, UK, June 28 – July 1, 2011.
  3. T. Lu, M. Plomer, Z. Luo, S. Sarathy, W. Pitz, S. Som, D. Longman, 7th US National Combustion Meeting, Atlanta, GA, 2011.
  4. Y. Pei, M. Mehl, W. Liu, T. Lu, W.J. Pitz, S. Som, SME 2014 Internal Combustion Engine Division Fall Technical Conference, Volume 2: Instrumentation, Controls, and Hybrids; Numerical Simulation; Engine Design and Mechanical Development; Keynote Papers, Columbus, IN, USA, 2014.