Rational Design of Carboxylate Supramolecular Complexes for Pyrolysis Bio-oil Valorization

About this project

Project description

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.

Outcomes

  1. Development of carboxylate supramolecular complexes catalysts for pyrolysis bio-oil valorization.
  2. Development of a process for pyrolysis bio-oil upgradation without carbon loss.
  3. Optimization of process parameters and a model equation will be developed which can be used for scale-up.
  4. One joint PhD from IIT Delhi, India and Univ. of Queensland, Australia.
  5.  Student and cultural exchange between India and Australia.
  6. Successful collaborative research between IITD and Univ. of Queensland that will benefit both countries India and Australia.

Information for applicants

Essential capabilities

  • Good and consistent academic record.
  • Interest in 60% experimental research work and 40% theoretical research work.

Desireable capabilities

MATLAB Coding, GAUSSIAN, MATERIAL STUDIO, VASP software packages.

Expected qualifications (Course/Degrees etc.)

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.

Additional information for applicants

note: i-students must have own scholarship to apply (CSIR, UCG-NET, etc)

Candidate Discipline

Applied Chemistry, Nanotechnology, Material Science, Chemical Engineering.

Project supervisors

Principal supervisors

IITD Supervisor

Professor Sreedevi Upadhyayula

Department of Chemical Engineering