Supramolecular complexes, which typically feature high solubility, stability, and amenability to surface functionalization strategies can be designed and applied as catalysts to pyrolysis bio-oil upgradation. Pyrolysis bio-oil consists of complex molecules which need to be subjected to hydrodeoxygenation (HDO) reactions to obtain fuel range molecules. It also contains a lot of phenolic compounds and small oxygenates which are wasted if it is directly taken to HDO step, instead these can first be subjected to C-C coupling reactions before this reaction which will prevent carbon loss in the bio-oil upgradation. Almost all these reactions are catalytic reactions requiring pore tuning for shape selectivity of desired molecules. A rational design of porosity has rarely been investigated in this class of carboxylate based supramolecular complexes for their use as catalysts in this bio-oil upgradation reactions. Theoretical investigations using DFT calculations will be performed for the rational design of these catalysts. After their synthesis in the laboratory and characterized using XRD, SEM, TEM, ICP-MS, FTIR, TG-DTA techniques. The structure-activity relations will be studied. The process parameters optimization of the reactions will be performed and the kinetic investigations will be undertaken in a continuous flow fixed bed reactor system. A suitable kinetic model for the catalytic reaction will be developed and validated with experiments.
MATLAB Coding, GAUSSIAN, MATERIAL STUDIO, VASP software packages.
For Australian students: Master’s in Chemical Engineering/ Masters/Honours in Chemistry or Applied Chemistry/Master’s in Nanotechnology/ Master’s in Material Science & Engineering with minimum GPA 5.65/7 which should include relevant research component. For Indian students: Master’s in Chemical Engineering/ Master’s in Nanotechnology/ Master’sin Material Science & Engineering wit minimum GPA of 6.5/ B.Tech in Chemical Engineering or Nanotechnology or Material science Engineering with minimum GPA of 8.0 and (for non-CFTI) high GATE or NET or CSIR or DST/ Master’s in Chemistry/Applied Chemistry with minimum GPA of 6.5 and high GATE or NET or CSIR or DST.
Applied Chemistry, Nanotechnology, Material Science, Chemical Engineering.