I presented my PhD work in a virtual Churchill College MCR talk and it is now available here on the MCR YouTube channel. The abstract is shown below.

Monte Carlo simulations from aerosol synthesis to heterogeneous catalysis

Stochastic (Monte Carlo) simulation is a powerful tool for studying the dynamic evolution of complex physical systems. Monte Carlo methods have been used to solve detailed population balance equations describing formation and growth of multivariate particles in flame, crystallisation, and granulation processes. This talk will consider the example of industrial synthesis of pigmentary titania, an important industrial chemical that is produced on the scale of millions of tons per year and has properties strongly dependent on its morphology. We have developed techniques for modelling structured particles in the context of two-phase systems, where gas chemistry is strongly coupled with particle formation, providing a comprehensive framework for studying flame aerosol synthesis, towards understanding and controlling the processes that determine critical particle characteristics. This talk will provide an overview of key features of this framework and present a model for the industrial titania reactor. I will also demonstrate application of kinetic Monte Carlo (kMC) simulations to study dynamics of gas molecules on the surface of solid catalysts, further highlighting that Monte Carlo is a cost-effective tool that allows us to describe physical interactions at length scales between atomistic and continuum modelling.