Growth of PAHs from pyrolysis

Modeling the growth of polycyclic aromatic hydrocarbons (PAHs) from hydrocarbon pyrolysis

Context and Objectives

This thesis work involves the development, updating and validation of the CRECK kinetic model for the formation of polycyclic aromatic hydrocarbons from high-temperature and high-pressure pyrolysis. PAHs are precursors to the formation of carbonaceous nanoparticles (particulate matter) and knowledge of the formation mechanisms is critical in a hierarchical perspective for proper prediction of particulate matter formation in aviation engines powered by sustainable aviation fuels (SAF).

Methods and Tools

Calculation of kinetic constants using theoretical methods, kinetic modeling, and simulation of ideal reactors, premixed laminar flames, and backscatter with OpenSMOKE++.