TS 8. Multiscale Modelling Of Particle Dynamics
Presented By: Georgios A. Kelesidis
Location: La Cienega
Abstract: The formation of organic and inorganic aerosols by combustion is critical for the synthesis of functional nanomaterials, but it also affects significantly public health and environment. For example, carbon black, the largest flame-made nanomaterial by value and volume, is a major component in tires, inks, batteries and solar cells. On the other hand, soot is a major global warming pollutant formed by combustion during transportation, manufacturing, power generation and wildfires. Particle dynamics during combustion determine the filamentary structure, porosity and optical properties of flame-made nanoparticles and thus their performance in industrial applications, their detection by laser diagnostics, as well as their health and climate impacts. In this tutorial, multiscale modelling is used to elucidate carbonaceous nanoparticle dynamics and advance our current understanding of particle formation during combustion. Mesoscale discrete element modeling (DEM) for surface growth and aggregation enables the detailed description of particle morphology in population balance models and computational fluid dynamics. Lattice Monte Carlo is interfaced with a moving sectional model for external and internal oxidation to derive robust oxidation rates for soot nanoparticles accounting for their porosity dynamics. Power laws relating the optical properties of soot to its filamentary structure and optical properties are derived by interfacing DEM with discrete dipole approximation to facilitate the accurate monitoring of soot emissions by aerosol diagnostics and fire detectors. Most importantly, these relations enable the estimation of the soot radiative forcing by global climate models accounting for its realistic ramified morphology.
Presenter Bio: Georgios Kelesidis, Ph.D. is an assistant professor in the Department of Environmental and Occupational Health and Justice at the Rutgers School of Public Health. He received his Diploma in Chemical Engineering from University of Patras (Greece), a M.Sc. and a Ph.D. in Mechanical and Process Engineering from ETH Zurich (Switzerland). Before joining Rutgers University, he was a lecturer and research associate at the Particle Technology Laboratory of ETH Zurich (Switzerland).
Nanoscience and Advanced Materials Center
Environmental and Occupational Health Sciences Institute
School of Public Health, Rutgers, The State University of New Jersey