Sustainable CO2 utilization as a reagent for commodity chemicals (funded by BASF)

The most elegant way of disposing of CO2 is to utilize it for the production of valuable chemicals. Most of the chemicals we use are carbon-based. In order to make such a process efficient, economically attractive, and sustainable with respect to energy consumption, it makes sense to consider materials that have a similar oxidation state as CO2, e.g. carboxylic acids. Moreover, in order to capture CO2 efficiently, it is useful to consider flue gas and process the captured CO2 directly next to it. Consequently, the other reagents must be transported to the point of CO2 capture and therefore reagents of low molar mass and fair transportability would be best suited. Ideally the stoichiometry of the reaction would be in favour of using as much CO2 as possible. We will therefore consider di-acids that are used in commodity chemicals such as polyamides and polyesters, in particular p-terephthalic acid and adipic acid. The synthesis of these diacids, however, suffers from the inertness of CO2 and - considering the synthesis of terephthalic acid - the lack of reactivity of benzene. Moreover, in both cases the selectivity needs to be correct: if adding two equivalents of CO2 to a C4 reagent it must yield regioselectively the 1,6-dicarboxylic acid (adipic acid), in case of p-terephthalic acid the addition of two equivalents of CO2 must be in the para position of the aromatic ring. This project will require a good understanding of synthetic chemistry, catalysis and photochemistry and will provide training in chemical engineering with respect to handling bi-phasic mixtures and pressurized continuously operated setups. Moreover, the project will consider the specifics of photo-redox-chemistry in the framework of an interdisciplinary and holistic cluster of six BASF-funded students on photochemistry.

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.