Chemical Kinetic Models for New Fuels Blended with Gasoline and Diesel Fuels

Capability Title Chemical kinetic models for new fuels blended with gasoline and diesel fuels
Laboratory Lawrence Livermore National Laboratory (LLNL)
Capability experts Gina Fioroni (NREL), Scott Goldsborough (ANL), Goutham Kukkadapu (LLNL), Bill Pitz (LLNL), Chiara Saggese (LLNL), Jim Szybist (ORNL), Scott Wagnon (LLNL)
Description Develop chemical kinetic models for fuel components, fuel blends, and surrogate fuels to represent real fuels. Validate the kinetic models by comparison to experimental data from shock tubes, rapid compression machines (RCMs), jet-stirred reactors (JSR), flow reactors, and flame speed devices. These models can be used to simulate autoignition and flame speeds over a wide range of temperatures, pressures, equivalence ratios, and EGR. When reduced, these models can be used in multidimensional CFD codes for engine simulations. When coupled with CFD models, these models can be used to simulate emissions (CO, hydrocarbon, NOx and soot). The kinetic models can then be exercised to cover engine-relevant pressure-temperature trajectories to understand kinetic-based fuel-specific differences with engine operating conditions.
Unique aspects Chemical kinetic models can be used to interpret engine experiments.
Availability Chemical kinetic modeling capabilities are limited by availability of staff.
Citations/references 1. Saggese, C., Wagnon, S. W., Kukkadapu, G., Cheng, S., Goldsborough, S. S. and Pitz, W. J., “An Improved Detailed Chemical Kinetic Model for C3-C4 Linear and Iso-Alcohols and Their Blends with Gasoline at Engine-Relevant Conditions,” Proceedings of the Combustion Institute, Accepted (2020).
2. Kukkadapu, G., Kang, D., Wagnon, S. W., Zhang, K., Mehl, M., Monge-Palacios, M., Wang, H., Goldsborough, S. S., Westbrook, C. K. and Pitz, W. J., “Kinetic Modeling Study of Surrogate Components for Gasoline, Jet and Diesel Fuels: C7-C11 Methylated Aromatics,” Proceedings of the Combustion Institute 37 (1) (2019) 521-529.
3. Kang, D., Fridlyand, A., Goldsborough, S. S., Wagnon, S. W., Mehl, M., Pitz, W. J. and McNenly, M. J., “Auto-Ignition Study of FACE Gasoline and Its Surrogates at Advanced IC Engine Conditions,” Proceedings of the Combustion Institute 37 (4) (2019) 4699-4707. Https://
4. Wang, M., Kukkadapu, G., Zhang, K., Wagnon, S. W., Mehl, M., Pitz, W. J., Westbrook, C. K. and Sung, C.-J., “Autoignition of CRC Diesel Surrogates at Low Temperature Combustion Conditions: Rapid Compression Machine Experiments and Modeling,” Combustion and Flame 219 (2020) 178-197.
5. J. P. Szybist and D. A. Splitter, “Impact of Engine Pressure-Temperature Trajectory on Autoignition for Varying Fuel Properties,” Applications in Energy and Combustion Science (2020) 100003.