The UK Catalysis Hub - 'Science': 1 - Optimising, predicting and designing new Catalysts

点击翻译按钮获取中文摘要

Catalysis is a core area of science that lies at the heart of the chemicals industry - an immensely successful and important part of the overall UK economy, where in recent years the UK output has totalled over £50B annually and is ranked 7th in the world. This position is being maintained in the face of immense competition worldwide. For the UK to sustain its leading position it is essential that innovation in research is maintained, to achieve which the UK Catalysis Hub was established in 2013; and has succeeded over the last four years in bringing together over 40 university groups for innovative and collaborative research programmes in this key area of contemporary science. The success of the Hub can be attributed to its inclusive and open ethos which has resulted in many groups joining its network since its foundation in 2013; to its strong emphasis on collaboration; and to its physical hub on the Harwell campus in close proximity to the Diamond synchrotron, ISIS neutron source and Central Laser Facility, whose successful exploitation for catalytic science has been a major feature of the recent science of the Hub.The next phase of the Catalysis Hub will build on this success and while retaining the key features and structure of the current hub will extend its programmes both nationally and internationally. The future hub structure will comprise a core programme which will coordinate the scientific themes of the Hub, which in the initial stages of the next phase will comprise:- Optimising, predicting and designing new catalysts - - Water - energy nexus- Catalysis for the Circular Economy and Sustainable Manufacturing- Biocatalysis and bio-transformations. The present project concerns the first of these themes whose overall aim is to develop a fundamental mechanistic understanding of catalysis thereby leading to the optimisation of existing and development of new catalytic systems. As in the current "Design" theme of the hub, which this project will succeed, there is a strong emphasis on the use of neutron, synchrotron and laser central facilities and on the concerted use of computation with experiment. The project will comprise the following main work packages: - Future developments in catalysis using synchrotrons; - Novel applications of neutron scattering in catalysis; - Future developments in catalysis using lasers; - New areas and opportunities for catalysis; - integrating catalysis through cascade processes; - Modelling in catalytic science; - Changing the philosophy of catalysis design. The project will interact strongly with the other hub science projects.The Hub structure is intrinsically multidisciplinary including extensive input from engineering as well as science disciplines and with strong interaction and cross-fertilisation between the different themes. The thematic structure will allow the Hub to cover the major areas of current catalytic science