About the project
This industrially sponsored project will use computational methods to investigate the key properties that govern the performance of a CO₂-conversion catalyst. Working at the interface of academic research and industrial application, you'll identify how the catalyst’s structure influences its activity and selectivity, helping to guide the development of more effective CO₂-conversion processes.
Developing sustainable and circular manufacturing processes will require new ways to make essential chemicals with less reliance on fossil-derived feedstocks. CO₂ is a promising alternative carbon source: previous research in our Group has demonstrated that it can be incorporated into valuable products, including surfactants and polymers. Using captured CO₂ in this way offers a route to keeping carbon in productive use while reducing the demand for virgin fossil resources. Realising that potential at industrial scale, however, depends on catalysts that convert CO₂ efficiently and selectively.
By examining the steps involved in CO₂ activation and product formation, the project will seek to identify the factors that influence reaction rates, selectivity and catalyst stability. These insights will be brought together in a mechanistic model that explains how the catalyst works at the molecular level. The model will then inform the design and refinement of physical catalysts. Predictions about which structural features could improve performance will guide experimental work, while experimental results will help test and strengthen the computational understanding. This close connection between modelling and catalyst development aims to deliver more efficient chemistry for making useful products from CO₂.
The project offers an opportunity to work across computational chemistry, catalysis and industrial research, contributing to the broader goal of turning CO₂ from a waste stream into a practical feedstock for circular chemical manufacturing. Training will be provided on both the experimental and computational aspects of the project, including catalyst synthesis, characterization, microkinetic and CFD modelling. The training program will also emphasize the development of communication and teamwork skills. Opportunities include presenting at national and international conferences and engaging in scientific writing and external representation alongside industrial partners and collaborators.
The School of Chemistry and Chemical Engineering is committed to promoting equality, diversity inclusivity as demonstrated by our Athena SWAN award. We welcome all applicants regardless of their gender, ethnicity, disability, sexual orientation or age, and will give full consideration to applicants seeking flexible working patterns and those who have taken a career break. The University has a generous maternity policy, onsite childcare facilities, and offers a range of benefits to help ensure employees’ well-being and work-life balance. The University of Southampton is committed to sustainability and has been awarded the Platinum EcoAward.
