Modern specialty chemicals are advanced multi-component systems that can contain immiscible fluids (e.g., water and organics), active ingredients, and several agents (e.g., surfactants) used to stabilise the product, extend its shelf lifetime, facilitate the application by the End Users, and deliver the active ingredients to the target. The formulation of such products is a demanding activity carried out via extensive trial and error experimental campaigns. Because personal experience is an important aspect of the process and even subtle changes in composition (e.g., in salt content) strongly affect performance, formulation is often perceived as an art, rather than a reproducible science. Further, new active ingredients are often introduced to the market while new regulations periodically limit the usage of existing chemical products towards reducing the environmental impact. Therefore, it is desirable to develop predictive capabilities to relate the composition of a product to the performance of its active ingredient. SusAgriChem seeks to develop such predictive capabilities via a molecular-level understanding of competitive interfacial effects. SusAgriChem focuses on the agri-chemical sector, one of the Eight Great Technologies identified by the UK government; indeed, food production is the largest single manufacturing sector in the UK. Reducing the amount of herbicide wasted is one of the Sustainable Development Goals as it will help achieve sustainable agriculture. SusAgriChem will exploit three enormous opportunities: (1) reduce the environmental impact of herbicides supporting the introduction of new environmentally friendly formulations, with an estimated cost in research and development of approximately $500M per new active ingredient; (2) improve the adhesion of emulsion droplets on weed leaves from the current 5% of the applied product to 10%, which would halve the environmental impact; this will be achieved without compromising the stability of the emulsion, the ability of the active ingredient to penetrate the leaves, and the ease of application of the product at the point of use; (3) revolutionise the formulation of new products, which will enable the specialty chemicals sector to remain at the cutting edge, creating new highly skilled jobs, which is extremely important in the current socio economic landscape - the specialty chemicals sector being essential for the UK economy, where in 2016 it contributed £12.1B, employing 99,000 people, especially in the after Covid-19 era. SusAgriChem seeks to change the current state of the art, by implementing a multi-disciplinary fundamental research project in close synergy between academia and industry. The partnership between UCL and Innospec will allow us to (1) develop fundamental science that will benefit the academic community at large; (2) apply the fundamental research to the development of new products; and (3) positively impact the formulation of other products (e.g., inkjet printing) in which surface active compounds are used to optimise multiple competing properties. To enhance the impact of the fundamental research conducted, this project will train two Ph.D. students in the multi-disciplinary activities related to formulation. The partnership with industry will enable the two post-doctoral researchers to develop transferable skills including entrepreneurial insights and commercial acumen. The results will be published in peer-reviewed journal articles, presented at international conferences, and used in our undergraduate and post-graduate teaching. The results will also be disseminated to the wide public, including pre-university students, via our outreach programmes and via the publication of dissemination material that targets primary schools.

The primary focus of the programme proposed here is to build across two universities (Strathclyde and Edinburgh) a world leading UK research, development and applications capability in the field of in-situ chemical and particulate measurement and imaging diagnostics for energy process engineering. Independently, the two university groups already have globally eminent capabilities in laser-based chemical and particulate measurement and imaging technologies. They have recently been working in partnership on a highly complex engineering project (EPSRC FLITES) to realise a chemical species measurement and diagnostic imaging system (7m diameter) that can be used on the exhaust plume of the largest gas turbine (aero) engines for engine health monitoring and fuels evaluation. Success depended on the skills acquired by the team and their highly collaborative partnership working. A key objective is to keep this team together and to enhance their capability, thus underpinning the research and development of industrial products, technology and applications. The proposed grant would also accelerate the exploitation of a strategic opportunity in the field that arises from the above work and from recent recruitment of academic staff to augment their activities. The proposed programme will result in a suite of new (probably hybrid) validated, diagnostic techniques for high-temperature energy processes (e.g. fuel cells, gas turbine engines, ammonia-burning engines, flame systems, etc.).

This user-need CDT will equip graduates with the skills needed by the UK formulation industry to manufacture the next generation of formulated products at net zero, addressing the decarbonisation needs for the sector and aligning with this EPSRC priority. Formulated products, including foods, battery electrodes, pharmaceuticals, paints, catalysts, structured ceramics, thin films and coatings, cosmetics, detergents and agrochemicals, are central to UK prosperity (sector size > £95bn GVA in 2021) and Formulation Engineering is concerned with the design and manufacture of these products whose effectiveness is determined by the microstructure of the material. Containing complex soft materials: structured solids, soft solids or structured liquids, whose nano- to micro-scale physical and chemical structures are highly process dependent and critical to product function, their manufacture poses common challenges across different industry sectors. Moving towards Net Zero manufacture thus needs systems thinking underpinned by interdisciplinary understanding of chemistry, processing and materials science pioneered by the CDT for Formulation Engineering at the University of Birmingham over the past twenty years, with a proven delivery of industrial impact evidenced by our partner's letters of support and three Impact Case Studies ranked at 4* in the recent Research Excellence Framework in 2021. A new CDT strategy has been co-created with our industry partners, where we address new user-led research challenges through our theme of Formulation for Net Zero ('FFN0), articulated in two research areas: 'Manufacturing Net Zero (MN0)', and 'Towards 4.0rmulation'. Formulation engineering is not taught in first degree courses, so training is needed to develop the future leaders in this area. This was the industry need that led to the creation of the CDT in Formulation Engineering, based within the School of Chemical Engineering at Birmingham. The CDT leads the field: we won for the University one of the 2011 Diamond Jubilee Queen's Anniversary Prizes, demonstrating the highest national excellence. The UK is a world-leader in Formulation; many multinational formulation companies base research and manufacture in the UK, and the supply of trained graduates, and open innovation research partnerships facilitated by the CDT are critical to their success. The CDT receives significant industry funding (>£650k pa), supported by 31 industry partners including multinationals: P&G, Colgate, Unilever, Diageo, Devro, Fonterra, Samworth Bros., Jacobs Douwe Egberts, Nestle, Pepsico, Mondelez, GSK, AZ, Lonza, Novartis, BMS, BASF, Celanese, Croda, Innospec, Linde/BOC, Origen, Imerys, Johnson Matthey, Rolls-Royce/HTRC, JLR Lucideon and SMEs: Aquapak, CALGAVIN and ITS/StreamSensing. Intra and cross cohort training is central to our strategy, through our taught programme and twice-yearly internal conferences, industry partner-led regional research meetings, student-led technical and soft skills workshops and social events and inter CDT meetings. We have embedded diversity and inclusion into all of our projects and processes, including blind CV recruitment. Since 2018 our cohorts have been > 50% female and >35% BAME. We will co-create training and research partnerships with other CDTs, Catapult Centres, and industry, and train at least 50 EngD and PhD graduates with the skills needed to enhance the UK's leading international position in this critical area. The taught programme delivers a common foundation in formulation engineering, specialist technical training, modules on business, entrepreneurship and soft skills including a course in Responsible Research in Formulation. We have obtained promises of significant industry and University funding, with 67 offers of projects already. EPSRC costs will be 44% of the cash total for the CDT, and ca. £27% of the whole cost when industry in-kind funding is included.

We will train a cohort of students at the interface between the physical and computer sciences to drive the critically needed implementation of digital and automated methods in chemistry and materials. Through such training, each student will develop a common language across the areas of automation, AI, synthesis, characterization and modelling, preparing them to become both leader and team player in this evolving and multifaceted research landscape. The lack of skilled individuals is one of the main obstacles to unlocking the potential of digital materials research. This is demonstrated by the enthusiastic response toward this proposal from our industrial partners, who span sectors and sizes: already 35 are involved and we have already received cash support corresponding to over 27 full studentships. This proposal will deliver the EPRSC strategic priority "Physical and Mathematical Sciences Powerhouse" by training in "discovery research in areas of potential high reward, connecting with industry and other partners to accelerate translation in areas such as catalysis, digital chemistry and materials discovery." The CDT training programme is based on a unique physical and intellectual infrastructure at the University of Liverpool. The Materials Innovation Factory (MIF) was established to deliver the vision of digital materials research in partnership with industry: it now co-locates over 100 industrial scientists from more than 15 companies with over 200 academic researchers. Since 2017, academics and industrial researchers from physical sciences, engineering and computer sciences have co-developed the intellectual environment, infrastructure and expertise to train scientists across these areas. To date, more than 40 PhD projects have been co-designed with and sponsored by our core industrial partners in the areas of organic, inorganic, hybrid, composite and formulated materials. Through this process, we have developed bespoke training in data science, AI, robotics, leadership, and computational methods. Now, this activity must be grown scalably and sustainably to match the rapidly increasing demand from our core partners and beyond. This CDT proposal, developed from our previous experience, allows us to significantly extend into new sectors and to a much larger number of partners, including late adopters of digital technologies. In particular, we can now reach SMEs, which currently have limited options to explore digitalization pathways without substantial initial investment. A distinctive and exciting training environment will be built exploiting the diverse background of the students. Peer learning and group activities within a cross-disciplinary team will accelerate the development of a common language. The ability to use a combination of skills from different individuals with distinct domain expertise to solve complex problems will build the teams capable of driving the necessary change in industry and academia. The professional training will reflect the diversity of career opportunities available to this cohort in industry, academia and non-commercial research organizations. Each component will be bespoke for scientists in the domain of materials research (Entrepreneurship, Chemical Supply Chain, Science Policy, Regulatory Framework). External partners of training will bring different and novel perspectives (corporate, SMEs, start-ups, international academics but also charities, local authorities, consultancy firms). Cohort activities span the entire duration of the training, without formal division between "training" and "research" periods, exploiting the physical infrastructure of MIF and its open access area to foster a strong and vital sense of community. We will embed EDI principles in all aspects of the CDT (e.g. recruitment, student well-being, composition of management, supervisory and advisory teams) to make it a pervasive component of the student experience and professional training.

The CDT in Molecules to Product addresses an overarching concern articulated by industry operating in the area of complex chemical products. It centres on the lack of a pipeline of doctoral graduates who understand the cross-scale issues that need to be addressed within the chemicals continuum. Translating their concern into a vision, the focus of the CDT is to train a new generation of research leaders with the skills and expertise to navigate the journey from a selected molecule or molecular system through to the final product that delivers the desired structure and required performance. To address this vision, three inter-related Themes form the foundation of the CDT - Product Functionalisation and Performance, Product Characterisation, and Process Modelling between Scales. More specifically, industry has identified a real need to recruit PGR graduates with the interdisciplinary skills covered by the CDT research and training programme. As future leaders they will be instrumental in delivering enhanced process and product understanding, and hence the manufacture of a desired end effect such as taste, dissolution or stability. For example, if industry is better informed regarding the effect of the manufacturing process on existing products, can the process be made more efficient and cost effective through identifying what changes can be made to the current process? Alternatively, if there is an enhanced understanding of the effect of raw materials, could stages in the process be removed, i.e. are some stages simply historical and not needed. For radically new products that have been developed, is it possible through characterisation techniques to understand (i) the role/effect of each component/raw material on the final product; and (ii) how the product structure is impacted by the process conditions both chemical and mechanical? Finally, can predictive models be developed to realise effective scale up? Such a focus will assist industry to mitigate against wasted development time and costs allowing them to focus on products and processes where the risk of failure is reduced. Although the ethos of the CDT embraces a wide range of sectors, it will focus primarily on companies within speciality chemicals, home and personal care, fast moving consumer goods, food and beverage, and pharma/biopharma sectors. The focus of the CDT is not singular to technical challenges: a core element will be to incorporate the concept of 'Education for Innovation' as described in The Royal Academy of Engineering Report, 'Educating engineers to drive the innovation economy'. This will be facilitated through the inclusion of innovation and enterprise as key strands within the research training programme. Through the combination of technical, entrepreneurial and business skills, the PGR students will have a unique set of skills that will set them apart from their peers and ultimately become the next generation of leaders in industry/academia. The training and research agendas are dependent on strong engagement with multi-national companies, SMEs, start-ups and stakeholders. Core input includes the offering, and supervision of research projects; hosting of students on site for a minimum period of 3 months; the provision of mentoring to students; engagement with the training through the shaping and delivery of modules and the provision of in-house courses. Additional to this will be, where relevant, access to materials and products that form the basis of projects, the provision of software, access to on-site equipment and the loan of equipment. In summary, the vision underpinning the CDT is too big and complex to be tackled through individual PhD projects - it is only through bringing academia and industry together from across multiple disciplines that a solution will be achievable. The CDT structure is the only route to addressing the overarching vision in a structured manner to realise delivery of the new approach to product development.