New catalysts for acetylene processes enabling a sustainable future
About the Project
Chemical industry produces tens of thousands of chemical intermediates and products that are essential components of polymers, pharmaceuticals, agrochemicals, fragrances, paints, and more, elevating the overall quality and length of human life across the globe. Chemical production relies on fossil-derived feedstocks and there is a need to develop processes based on green and sustainable carbon sources. The availability of methane from biogas, or as a by-product from CO2 hydrogenation, creates opportunities to use new feedstocks and chemical intermediates. Acetylene is a potential feedstock for new sustainable green chemical processes, being a reactive chemical intermediate with the potential to be used in very selective reactions; however, research is needed to develop acetylene chemistry and processes. This project aims to explore and understand new catalysts for key reactions of acetylene using state-of-the-art ab initio modelling coupled with emergent artificial intelligence and machine-learning (AI/ML) approaches.
The project builds on the expertise of the supervisors in computational catalysis and is part of a broad international consortium of experimental and computational researchers funded via an EPSRC centre-to-centre award. The project outcomes will provide a broad platform for designing and optimising catalytic systems suitable for commercial exploitation.
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