Several Master Theses are available at the CRECK Modeling Lab. Please click on the links below for further information.


Chemical recycling of plastic materials: kinetic modelling of the thermal degradation of PET

This thesis aims at developing a detailed kinetic model for the thermal degradation of polyethylene terephthalate (PET), extending the existing kinetic framework for polyethylene (PE), polypropylene (PP), polystyrene (PS) and polyvinylchloride (PVC).


First-principles assessment of the analogy between gas-phase and gas-solid reactions at graphene edges: application to CVI/CVD processes and graphene growth

The goal of this thesis is to derive rate rules for reaction classes at the gas-solid interface (H-abstractions, radical additions, acetylene additions, etc.) from DFT calculations on graphene edges and higher level theoretical calculations on homologous reactions in the gas phase.


Numerical modelling of Chemical Vapor Infiltration process for densification of carbon disk brakes for high-performance applications

The aim of this thesis is to explore new geometrical configurations and alternative operating conditions to optimize the densification process of carbon disk brakes for high-performance applications. The starting point is represented by an existing industrial reactor able to process ~18 preforms per time, for which experimental data are available.


Kinetics modeling of carbon nanoparticles production for innovative application in laminar flames

This thesis aims at extending the CRECK kinetic framework by means of state of the art theoretical methods allowing to derive rate rules for relevant reaction classes in PAHs and soot formation processes, for application in flame synthesis of high added value materials.


Modelling of heavy fuel oils combustion for power generation

This thesis aims at developing multi-phase kinetic models (liquid/gas/solid) to describe the evaporation and combustion of hevy-fuel oil droplets (including formation of cenospheres).


Kinetic models for real fuels: fuel components for jet fuels

This thesis work focuses on developing kinetic models for fuel components relevant to jet fuel combustion. Alkylated cycloalkanes and iso-alkanes with different levels of branching are important classes of hydrocarbons in both traditional and alternative jet fuels. The student will develop kinetic models able to capture the combustion behavior these components and to apply them to the simulation of real world aviation fuels.


Kinetic modeling of Pyrrole pyrolysis and oxidation as a representative of Fuel Nitrogen

The purpose of this thesis is setting up a detailed kinetic model describing the pyrolysis and oxidation of pyrrole. Leveraging the analogies with cyclopentadiene and pyrrolydine, the pyrrole model will be built up following a hierarchical and modular approach. In this way, it will benefit from the recently developed mechanisms of NOx formation and ammonia combustion, already part of the POLIMI framework.


Kinetic modeling of Sulphur Oxides formation from fuels and biofuels

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.