E.1.3. 2-Component Model, Focus on Soot Particle Tracking

The Diesel_2comp_189sp__soot-particle-tracking.cks chemistry sets consist of a 189 species gas-phase mechanism along with a soot surface mechanism with 18 species. The mechanism represents diesel with the 2-component n-decane/1-methyl naphthalene (AMN) as the fuel surrogate. The focus of this chemistry set is on accurate soot modeling from combustion in diesel engines. This chemistry set can be used to track soot particles using the Method of Moments in Ansys Forte.

The soot surface mechanism includes:

  1. Soot nucleation pathways through multiple pathways

  2. HACA- and PAH-based soot growth pathways

  3. Soot oxidation through O2 and OH

The mechanism has been validated against fundamental data for the following conditions:

  1. Equivalence ratios of 0.5-3.

  2. Pressures of 1-150 bar.

  3. High-temperatures of ~650 K and higher.

  4. EGR of 0%.

  5. This mechanism was assembled for a cetane number of 55, with a composition of 33 wt% AMN/67 wt% n-decane.

This mechanism has been reduced from the Diesel_PAH_NOx mechanism from the Ansys MFL that contains more than 5000 species. As documented in the Ansys Model Fuel Library (MFL) Manual,the mechanism has been thoroughly validated against fundamental experimental data for the operating conditions of interest in engines. The mechanism was reduced from this comprehensive "full" mechanism using Ansys Chemkin Reaction Workbench software [32], for the conditions listed above.

For the emissions, the following species predictions are expected to be accurately predicted:

  1. Soot-precursor species:

    1. acetylene (c2h2)

    2. propargyl (c3h3)

    3. benzene (c6h6)

    4. phenyl (c6h5)

    5. toluene (c6h5ch3)

    6. naphthalene (naph)

    7. acenaphthalene (a2r5)

    8. pyrene (a4)

    9. coronene (coronene)

  2. CO.

  3. NOx species NO and NO2.

The species names in the chemistry file for the fuel species are:

  1. n-Decane is nc10h22.

  2. AMN is a2ch3.