About the project
This project aims to rationally design sustainable and cost-effective heterogeneous catalysts for fine chemical manufacturing by combining experimental and computational methods. Objectives include analysing catalyst surface chemistry, building predictive microkinetic models, and synthesizing new catalyst architectures. The project addresses environmental and economic challenges associated with industrially relevant heterogeneous catalysis.
With over 90% of industrial reacting processes relying on the use of catalysts, heterogeneous catalysis remains central to fine chemical manufacturing. The improvement of catalytic processes is typically related to the search for novel catalytic systems that exhibit a better performance, e.g., higher conversion and selectivity. Another key driver for innovation in catalysis is sustainability which translates into designing environmentally friendly catalysts and energy efficient processes.
Commercially available heterogeneous catalysts are typically based on the use of noble metals and toxic elements. As an example, selective hydrogenations for fine chemicals manufacturing are typically carried out in semi-batch reactors over the ‘mythic’ Lindlar catalyst which consists of palladium and lead deposited on calcium carbonate. The use of toxic elements such as lead has huge environmental costs and strongly limits the sustainability of the process. Moreover, the price of palladium surged in the past lustrum by approaching a record high of $3k/oz in 2023.
These increasing environmental and economic concerns require the design of non-toxic and less expensive catalysts towards the prospect of more environmentally friendly and low-cost processes.
In this project, you will develop a novel synergistic approach combining experimental and computational methods to screen and design catalyst architectures for sustainable applications.
The key objectives of the project are:
- identifying the roles of surface chemistry and active sites on the catalyst performance
- building microkinetic models to predict the behaviour of the investigated reacting systems over different operating conditions and developing a screening approach
- synthesizing, characterizing, and testing the engineered catalytic systems
You will design model catalysts with a well-defined structure and composition and develop a mechanistic understanding of the reacting processes. This is a highly multidisciplinary project involving reaction engineering, catalysis, and first-principle kinetic analyses. You will benefit from a top-level research environment, as well as acquire skills at the interface between experimental catalysis and microkinetic modelling that are in high demand in both industry and academia.
You will join a vibrant research group that is interested in the discovery and design of novel catalytic materials that address fundamental challenges in the chemical, environmental and energy landscape.
