Fuel Chemistry and Combustion Kinetics, Sarathy, Day 1, Part 1

A lecture by S. Mani Sarathy on Fuel Chemistry and Combustion Kinetics from the June 25 – June 30, 2023 Princeton - Combustion Institute Summer School on the Princeton University Campus. Day 1 Part 1 Fuel Chemistry and Combustion Kinetics Lecturer: S. Mani Sarathy (KAUST / King Abdullah University of Science and Technology, Saudi Arabia) Course Content: The course covers the development of large databases of chemical reaction pathways with associated kinetic rate parameters, as well as thermochemical and transport properties for all reactant, intermediate, and product species. First, the mapping out of detailed reaction pathways at the temperatures and pressures relevant to chemical reactors and combustion applications is discussed. Next, the art of assigning rate constants using chemical intuition and quantum chemical modeling is covered. The determination of thermochemical and transport properties is achieved using both molecular modeling tools and empirical methods. The comprehensive models are then validated against data from well-defined experimental configurations using zero-dimensional and one-dimensional reacting flows whose physics can be simulated exactly. These models are finally employed to determine the thermal degradation and oxidation pathways relevant to the prediction of combustion performance in practical applications. The course provides key insights into the chemical kinetics of complex hydrocarbon fuels (e.g., gasoline, diesel, jet, and heavy oils) and renewable e-fuels such as hydrogen and ammonia.