Sustainable manufacturing of platform chemicals from biomass

The manufacture of platform chemicals from sustainable feedstocks is highly desirable. Ligno-cellulosic biomass (e.g. wood and agricultural waste) is a potentially renewable source of some of the carbon and hydrogen required to meet the global demand for platform chemicals, without requiring the use of land, which would otherwise be used to grow food. This biomass can be readily converted by a process known as gasification to a so-called syngas, containing a mixture of H2, CO and, owing to the high oxygen content of biomass, a large amount of CO2. Synthesis gas, derived mainly from fossil fuels, is already converted on an industrial scale to methanol, and to long chain hydrocarbons and oxygenates by the Fischer-Tropsch reaction (FTR). Any CO2 in the syngas does not participate significantly in the FTR, thus the carbon in CO2 is not utilised. Furthermore, whilst the FTR has a good yield, the selectivity is poor, yielding a product with a wide distribution of hydrocarbon chain lengths.

The overall goal of this project is to develop and optimise a scalable combination of homogeneous 'frustrated Lewis pair' (FLP) catalyst and sustainable solvent, to selectively convert biomass-derived syngas, including the CO2 fraction, into platform chemicals. Multiple parallel batch reactors and a flow reactor, coupled with on- and off-line analytical methods, will be used to generate catalyst performance data; this will be analysed using e.g. kinetic modelling and/or artificial intelligence to elucidate information on the catalytic cycle, and off-cycle processes such as catalyst deactivation. This data-driven approach may be used to optimise the catalyst structure, and even to optimise the reaction conditions in flow, in real time, through the automated Labview interface.

The initial focus of the project will be on achieving high selectivity to ethene, which is readily converted into myriad products, such as polymers. Such novel, selective catalysts would be much better utilised when applied to the targeted synthesis of high value platform chemicals subsequently used to make long-lived products, which sequester carbon, rather than much lower value transport fuels typically produced by the FTR, which are quickly burned, releasing more CO2 into the atmosphere and contributing to global warming.

Academic impact:
Recent advances in data science and digital technology have a disruptive effect on the way synthetic chemistry is practiced. Competence in computing and data analysis has become increasingly important in preparing chemistry students for careers in industry and academic research.

The CDT cohort will receive interdisciplinary training in an excellent research environment, supported by state-of-the-art bespoke facilities, in areas that are currently under-represented in UK Chemistry graduate programmes. The CDT assembles a team of 74 Academics across several disciplines (Chemistry, Chemical Engineering, Bioengineering, Maths and Computing, and pharmaceutical manufacturing sciences), further supported by 16 industrial stakeholders, to deliver the interdisciplinary training necessary to transform synthetic chemistry into a data-centric science, including: the latest developments in lab automation, the use of new reaction platforms, greater incorporation of in-situ analytics to build an understanding of the fundamental reaction pathways, as well as scaling-up for manufacturing.

All of the research data generated by the CDT will be captured (by the use of a common Electronic Lab Notebook) and made openly accessible after an embargo period. Over time, this will provide a valuable resource for the future development of synthetic chemistry.

Industrial and Economic Impact:
Synthetic chemistry is a critical scientific discipline that underpins the UK's manufacturing industry. The Chemicals and Pharmaceutical industries are projected to generate a demand for up to 77,000 graduate recruits between 2015-2025. As the manufacturing industry becomes more digitised (Industry 4.0), training needs to evolve to deliver a new generation of highly-skilled workers to protect the manufacturing sector in the UK. By expanding the traditional skill sets of a synthetic chemist, we will produce highly-qualified personnel who are more resilient to future challenges. This CDT will produce synthetic chemists with skills in automation and data-management skills that are highly prized by employers, which will maintain the UK's world-leading expertise and competitiveness and encourage inward investment.

This CDT will improve the job-readiness of our graduate students, by embedding industrial partners in our training programme, including the delivery of training material, lecture courses, case studies, and offers of industrial placements. Students will be able to exercise their broadened fundamental knowledge to a wide range of applied and industrial problems and enhance their job prospects.

Societal:
The World's population was estimated to be 7.4 billion in August 2016; the UN estimated that it will further increase to 11.2 billion in the year 2100. This population growth will inevitably place pressure on the world's finite natural resources. Novel molecules with improved effectiveness and safety will supersede current pharmaceuticals, agrochemicals, and fine chemicals used in the fabrication of new materials.

Recent news highlights the need for certain materials (such as plastics) to be manufactured and recycled in a sustainable manner, and yet their commercial viability of next-generation manufacturing processes will depend on their cost-effectiveness and the speed which they can be developed. The CDT graduates will act as ambassadors of the chemical science, engaging directly with the Learned Societies, local council, general public (including educational activities), as well as politicians and policymakers, to champion the importance of the chemical science in solving global challenges.