Ph.D. Project in Energy and Sustainability| IIT Delhi - Abu Dhabi

Novel Materials and Pathways for Biomass Valorization to Sustainable Aviation Fuels

Energy and Sustainability

Supervisors

Prof. Rachit Khare
Prof. M. Ali Haider

Project Description

This Ph.D. project aims to develop novel catalytic materials and reaction pathways for converting biomass-derived feedstocks into sustainable aviation fuels (SAFs). Aviation remains one of the most difficult sectors to decarbonize, with an ongoing dependence on high-energy-density liquid fuels for long-distance transport. Biomass-derived platform molecules provide promising renewable routes to SAFs; however, their efficient conversion requires precise control over complex reaction networks involving deoxygenation, hydrogenation, isomerisation, and carbon-chain growth under economically viable conditions.

The work will focus on the rational design of multifunctional catalytic systems capable of driving these transformations with high activity, selectivity, and stability. Candidate materials will include zeolites, metal-organic frameworks, supported transition metal sulfides and oxides, and bifunctional acid-metal catalysts. Advanced characterization techniques, including XRD, BET, TPD, TPR, Raman, and IR spectroscopy, will be employed to establish robust structure-activity-selectivity relationships and to probe catalyst behavior under realistic reaction environments.

Multiple biomass-to-SAF pathways will be systematically investigated, with particular emphasis on suppressing undesired side reactions. Experimental investigations will be integrated with detailed kinetic modeling to develop a comprehensive understanding of reaction mechanisms. These models will be used to identify key reaction intermediates and rate-limiting steps, enabling rational optimization of catalytic performance and operating conditions.

To accelerate catalyst discovery and process optimization, an AI/ML-driven research workflow will be employed, leveraging in-house-developed tools to analyze experimental and modeling data, identify key descriptors governing catalytic performance, and predict promising material compositions, operating conditions, and novel reaction pathways. This integrated approach will enable efficient exploration of complex design spaces and significantly reduce research and development time.

The expected outcome is a comprehensive, data-driven framework for developing efficient technology for biomass conversion to SAF-grade hydrocarbons and high-value co-products. The project will contribute to renewable fuel production technologies, the circular carbon economy, and the broader transition toward a low-carbon aviation sector.

Background Required

Bachelor's or Master's degree in Chemical Engineering, Chemistry, Materials Science, or related fields. A strong interest in heterogeneous catalysis, biomass conversion, reaction engineering, or green chemistry is essential. Experience in catalyst synthesis, advanced characterization, kinetic modeling, or machine learning will be considered advantageous. Proficiency in Python or other scientific programming languages (or the willingness to learn) is required.