A compact skeletal mechanism for n -dodecane with optimized semi-global low-temperature chemistry for diesel engine simulations
A skeletal mechanism with 54 species and 269 reactions was developed to predict pyrolysis and oxidation of n-dodecane as a diesel fuel surrogate involving both high-temperature (high-T) and low-temperature (low-T) conditions. The skeletal mechanism was developed from a semi-detailed mechanism developed at the University of Southern California (USC). Species and reactions for high-T pyrolysis and oxidation of C5-C12 were reduced by using reaction flow analysis (RFA), isomer lumping, and then merged into a skeletal C0-C4 core to form a high-T sub-mechanism. Species and lumped semi-global reactions for low-T chemistry were then added to the high-T sub-mechanism and a 54-species skeletal mechanism is obtained. The rate parameters of the low-T reactions were tuned against a detailed mechanism by the Lawrence Livermore National Laboratory (LLNL), as well as the Spray A flame experimental data, to improve the prediction of ignition delay at low-T conditions, while the high-T chemistry remained unchanged. The skeletal mechanism was validated for auto-ignition, perfectly stirred reactors (PSR), flow reactors and laminar premixed flames over a wide range of flame conditions. The skeletal mechanism was then employed to simulate three-dimensional turbulent spray flames at compression ignition engine conditions and validated against experimental data from the Engine Combustion Network (ECN).
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE) - Office of Vehicle Technology; National Natural Science Foundation of China (NNSFC)
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 1411013
- Journal Information:
- Fuel, Vol. 191, Issue C; ISSN 0016-2361
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
Similar Records
A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications
A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications