Computational catalytic modelling for the conversion of CO2 to higher-value synthetic fuels

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Shipping contributes substantial emissions of toxic or harmful exhaust gas containing compounds, such as CO2, NOx, SOx, particulates, volatile organic compounds (VOCs) and carbon residues from diesel engines. Whilst emissions from road traffic and other land-based sources has been either decreasing or holding steady, emissions from shipping have been increasing steadily for decades. A recent Greenhouse Gas Strategy report by the International Maritime Organization (IMO) set an ambitious target of reducing 50% reduction of the current CO2 by 2050. We are therefore entering a crucial transition whereby alternative fuels will play a more prominent role. However, this must begin immediately as ocean vessels have a long economic life so we need to look towards potential abundant feedstocks work with the current conversion processes to make them more effective and sustainable. Upgrading CO2 into higher-value alcohols or synthetic fuel production is a viable option. Reactions utilising CO2 as a feedstock within a system combining carbon-capturing species with hydrogen-activating nanoparticles for the direct conversion of CO2 to higher-value alcohols or synthetic fuels is an evolving field of research that holds great potential.This multidisciplinary project will involve a combination of experimental chemical investigations as well as the development of a catalytic modelling approaches which can capture the CO2 conversion process for a range of operating conditions, typical to the marine emission concentrations, to yield high-value synthetic fuels. The insight gained from this project will afford wider scope for optimisation the derivation of CO2-based fuels from biomass sources to further reduce CO2 emissions.