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.

Battery electrified power is predicted to become the dominant mode of propulsion in future light duty transport. For sustainable heavy duty applications challenges remain around practical range, payload and total cost. Currently there is no economically viable single solution. For commercial marine vessels the problem is compounded by long service lives, with bulk carriers, tankers and container ships the main contributors to greenhouse gases. Ammonia (NH3) has excellent potential to play a significant role as a sustainable future fuel in both retrofitted and advanced engines. However, significant uncertainties remain around safe and effective end use, with these unknowns spanning across fundamental understanding, effective application and acceptance. This multi-disciplinary programme seeks to overcome the key related technical, economic and social unknowns through flexible, multidisciplinary research set around disruptive NH3 engine concepts capable of high thermal efficiency and ultra low NOx. The goal is to accelerate understanding, technologies and ultimately policies which are appropriately scaled and "right first time".

This proposal seeks EPSRC Follow-On grant funding to fund the technical and commercial development and integration of molecular modelling software (HABIT and SYSTSEARCH) developed by the crystallisation science and engineering research group at the University of Leeds which enables the prediction of the crystal shape and related surface chemistry of pharmaceutical, fine chemical and energy solid phase products and their mediation by their crystallisation environment. The predictive approach developed draws down on the modelled material's crystallographic structure together with the application of appropriate empirical inter-atomic/molecular force-field parameters through which the structure's key inter-molecular interactions (supra-molecular synthons) for both host (homo-synthons) and growth environment (hetero-synthons related to e.g. solvent, additives and impurities) can be identified, characterised regarding their strength and directivity and related to the product's physical and chemical properties. The work has been developed through a previous EPSRC senior fellowship programme and a number or associated EPSRC research grants. Commercialisation is envisaged through re-engineering the software based on user requirements, afforded through the data-bases and software of the Cambridge Crystallographic Data Centre (CCDC) and, through this, providing a significant enhancement of the predictive resources available to both academic and industrial research groups. The commercially robust software package, HABIT2011, will be offered through CCDC and directly to end user customers. The Synthonic Engineering identity will be established as an internal project, initially internally incubated within the University and later established as a spin off company. Synthonic Engineering will support the continuing technical and scientific development/enhancement of the HABIT2011 software; facilitate product licensing opportunities for other potential users; and provide consultancy, know-how and contract research support to the commercial sector. The utility of the modelling will be embedded within 4 key representative end-user companies: pharmaceuticals (Pfizer), agrochemicals (Syngenta), fuels (Infineum) and nuclear processing (National Nuclear Laboratory) through applications demonstrators on commercial compounds and at least one scientific instrument company (Malvern Instruments). These companies will also provide membership for a steering board to ensure the project's currency to the industrial sector.

The machines, products and devices all around us are full of moving parts; from the tiny read/write head in a hard drive, the prosthetic hip joint, the high speed train rail/wheel interface, the most powerful jet engine, to the giant gearboxes in wind turbines. It is the interacting surfaces in these moving parts where friction occurs and energy is lost. Lubrication is required to control friction and minimise the wear that causes premature failure. Selection of suitable rubbing materials and surface treatments helps to make parts last longer. Tribology is the science that encompasses the study of friction, wear, lubrication and surface engineering. It is a true underpinning technology behind developments in all industry sectors. This proposal is for a Centre for Doctoral Training in Integrated Tribology (iT-CDT) to act as a training school and centre for research excellence in tribology. We have established a number of industrial partners who are prepared to make significant cash commitment to the Centre. They will benefit from a supply of highly trained PhD graduates, research focussed on their industry needs, as well as access to a pool of research on generic pre-competitive themes. The two universities are fully supportive of the bid and are providing studentships, staff time, and facilities. The total gearing proposed is £3.75M (45%) from EPSRC, £2.2M from industry (26%), and £2.4M (29%) from the universities. Integrated Tribology Integrated across disciplines - the nature of tribology is such that a multi-disciplinary approach is essential: physics of surfaces, chemistry of lubricants, material and surface treatment technologies, and engineering design. The iT-CDT plans to recruit PhD students and undertake PhD projects that span the disciplines of physics, chemistry, materials science and mechanical engineering. Integrated across industrial sectors - tribology is an underpinning technology in all industry sectors. Many industries face the same generic problems (e.g. operating with thinning films, minimising and/or control of friction, fuel efficiency, reducing maintenance, extreme environments). The iT-CDT plans to integrate across sectors, sharing research expertise and common themes. Integrated over the product life cycle - tribology is involved at all stages of a product lifecycle - from design, manufacture, maintenance, repair, through to disposal. The iT-CDT plans to have projects that span these stages of the lifecycle and to train students in the appreciation of the lifecycle and its sustainability. Integrated across length scales - when surfaces rub together, atomic forces at the interface are responsible for friction and adhesion. The molecular structure of the lubricant and its chemical formulation provide protection. Interaction at this nano-scale governs performance at the macro-scale. The iT-CDT plans to integrate across length scales, combining analysis and methods from nano- to macro- in each project. Integrated across technology readiness level - The iT-CDT plans to give students experience of the different types of research. The Centre's structure of mini-projects, research, and a final impact project will give scope for fundamental pre-competitive research, consultancy type problem solving, and application of research in an industrial environment, respectively.

Polymers play a vital role in our daily lives and we continuously encounter polymers that are specifically designed and optimised for optimal performance. They are present in various aspects of our lives, such as clothing, computer displays, and medical technologies. However, in order to maintain a sustainable and healthy society, we need advanced solutions that offer higher performance and new capability that are affordable. They could also pave the way for innovative materials that open doors to new medicines, advanced lubricants, organic photovoltaics, and lithium battery matrix technologies. Living anionic polymerisation is a highly precise chemical synthesis technique that can be used to make these polymers, allowing for an array of molecular architectures. However, there is a lack of efficient methods to quickly screen polymers synthesised using this technique. Currently, it is only carried out in specialised laboratories equipped with the necessary infrastructure and skilled personnel to meet the rigorous experimental conditions. Due to this, scientists will make only one or two batches of material per week meaning rapid prototyping is impossible. Here, we will develop a platform technology which facilitates synthesis of polymers by LAP using an automated reactor platform which can maintain precise conditions with minimal human input. By equipping this instrumentation with machine learning capability, we will demonstrate an ability to rapidly screen polymers and demonstrate the ability to scale-up whilst maintaining the precision required. This technology will precipitate an array of opportunities for developing new sustainable materials which can contribute to solving challenges facing society.