Friday, 09/28 • 2:30 PM – 3:20 PM • BPB, Rm. 131
Hydrocarbon Combustion Reaction Models from Both Ends-The Foundational Fuels and JP10
Yujie Tao
Department of Mechanical Engineering, Stanford University
Abstract:Due to the hierarchical nature of high-temperature hydrocarbon oxidation, modeling the combustion chemistry of higher hydrocarbon fuels typically requires a fuel-specific reaction model that describes the fragmentation of the fuel into small species, and a foundational fuel chemistry model that describes the oxidation of these species. Shared by the combustion of large hydrocarbons, the foundational fuel chemistry is also the rate-limiting step and therefore a crucial part for constructing reliable combustion models for any higher hydrocarbons. The talk examines the aforementioned problems from both ends. The Foundational Fuel Chemistry Model (FFCM) is an effort directed at developing a reliable combustion model for the foundational fuels with rate parameters optimized and uncertainty minimized. The first version, FFCM-1, optimized for H2, H2/CO, CH2O and CH4 combustion, was constrained with carefully evaluated fundamental combustion data. The model reconciles all the experimental targets chosen and has significantly reduced prediction uncertainties. The remaining kinetic uncertainties in FFCM-1 were further analyzed with extinction and ignition residence time predictions in perfectly-stirred reactor conditions to examine the critical remaining kinetic uncertainties in FFCM-1. The optimization and uncertainty quantification procedures were also extended to include the optimization of activation energies. As a single-component large-fuel example, JP10 was studied using the Hybrid Chemistry (HyChem) approach, which assumes a decoupled fuel pyrolysis and oxidation of pyrolysis products. The pyrolysis model is described with highly-lumped steps and optimized against experimental data from shock tube and flow reactor measurements. The model performance will be discussed.
Biographical Sketch: Dr. Yujie Tao is a recent Ph.D. graduate from Department of Mechanical Engineering at Stanford University. She received her B.S. from Tsinghua University and M.S. from University of Southern California. Her current research interests are mainly in combustion kinetics and applied math. Her dissertation work focused on the optimization and uncertainty quantification of combustion models, especially inverse problems. She has released two combustion chemistry models online: The Foundational Fuel Chemistry Model 1.0 (FFCM-1) and the HyChem model of JP10 v1.0. Her co-authored paper in the 35th International Symposium on Combustion received a distinguished paper award.
For additional information, please contact Prof. Xu Chen at (860) 486-3688, xu.chen@uconn.edu or
Laurie Hockla at (860) 486-2189, laurie.hockla@.uconn.edu
For more information, contact: Xu Chen at X3688