Kinetic modeling of Sulphur Oxides formation from fuels and biofuels
Hydrogen sulfide is a common by-product in oil refineries, and its emissions are strictly limited at a legislative level because of its letal effects on human health. In order to develop efficient sulfur removal technologies, a fundamental understanding of the underlying chemistry of pyrolysis and oxidation is a necessary step.
Starting from the state-of-the-art experiments and theoretical calculations, and leveraging the hierarchy and modularity principles of the POLIMI mechanism, this thesis is targeted at developing a detailed kinetic mechanism describing the pyrolysis and oxidation of sulfur-containing species. To the purpose, a first-principles approach will be adopted to derive the reaction rates, where not available in literature, as well as the thermodynamic properties. The obtained kinetic mechanism will be validated against the available experiments collected in the latest decades in ideal reactors, and will be ultimately applied for the CFD simulation of typical industrial case studies.
Duration: 12 months
Experimental activities: no
Skills: basics of chemical kinetics
Advisor: Alessandro Stagni
People involved: Matteo Pelucchi