Currently, most of the manufacturing the high-value chemicals such as agrochemicals and pharmaceuticals, are performed in 'batch' reactors, where the chemical feedstocks (largely petrochemicals based) are converted into the product through a sequence of 'units of operations', which includes several chemical transformations, and purification steps. As the volume of each reactor is fixed, some of these operations, if not the entire sequence, have to be repeated, in order to meet the market demand. Very often, batch-to-batch variation in quality can result, which has to be monitored closely at each stage of the process in order to meet stringent regulatory requirements for product purity. Conversely, in a continuous flow process, the individual units of operation are integrated to enable an uninterrupted flow of material and product. Inline analytics (sensors and detectors) can also be implemented to monitor the quality of the produced product in real-time. As the entire process operates non-stop ('steady state'), the volume of production is no longer limited by the reactor size. Potentially, a continuous process is more efficient in saving costs, energy, and time, without comprising product quality. Traditionally, high-value chemical products, such as agrochemicals and pharmaceuticals, are produced using batch reactors, as they are usually required in small volumes. In more recent years, there are significant economical and sustainability drivers for the chemical industry to adopt the use of continuous flow processes. However, their implementation is not easy; as continuous reactors tend to be less flexible, in terms of modifying them to produce different products. The ambition of the IConIC Partnership is to redesign the continuous process: from a fully-integrated, single-purpose unit, towards a flexible 'plug-and-play' system, where each unit of operation ('module') can be replaced or substituted easily without affecting the overall performance of the continuous process. This will require a better understanding of how the interplay between molecular properties, timescales of reactions (reaction kinetics), and process parameters. For industrial implementation, additional factors (e.g. costs, sustainability and regulatory requirements) also need to be taken into consideration to justify the capital investment needed to switch from batch to flow production. Over the past 5 years, BASF has been working with ICL to foster an active 'Flow Chemistry' community involving 50 researchers at both institutions. The IConIC partnership will not cement the relationship by initiating a programme of exciting and ambition research projects to translate the benefits of Flow Chemistry from the R&D lab into industrial practice. An important aspect is an emphasis on a seamless data flow and translation process across the WPs, including decision-making under uncertainty, multi-fidelity design of experiments, transfer learning, and proof-of-concept demonstration for scale-up. A key feature of IConIC is the inclusion of a number of other UK-based industrial partners to form a 'vertical consortium' along the value chain. Over the period of the grant, the Partnership will be expanded to include additional academic and industrial partners at the appropriate junctures, to leverage synergistic values. Ultimately this will enable the UK to take leadership in continuous flow manufacturing.

This project aims to deliver the underpinning tools and design principles to support the use of water as a reaction media in High Value Chemical Manufacture. Water has long been promoted as an environmentally friendly and safe 'green' reaction media for synthetic processes which can lead to much more sustainable and cost effective manufacturing process. Nevertheless, the green credential of water has been limited due to issues related to organic contamination of the water waste stream, cost of subsequent treatment and the often required organic solvents at purification stage. Water-accelerated reactions, i.e. reactions which proceed faster in water than in organic solvents and wherein organic reactants and products form hydrophobic droplets, are potential game-changers High Value Chemical Manufacture. They benefit from accelerated rates, improved productivity and much improved green metrics through reduction in the use of organic solvents. Their current limitations are: (i) a limited pool of known reactions; (ii) lack of suitable equipment and process understanding; and (iii) insufficient understanding of acceleration effects which can guide discovery and process design. This project will address these knowledge gaps and deliver the following critical outputs, identified through discussion with our industrial partners in chemical industry sector: (i) a wider range of synthetically useful water-accelerated reactions, (ii) multi-scale batch and flow reactors to support the scale-up pathway for water-accelerated processes, (iii) standardised protocols for characterising such processes and basic process understanding for scaling up, and (iv) streamlined workup/product purification and recycling of water to truly deliver green processes. These outputs will have transformative impacts in the chemical manufacture industry, delivering lower cost and better quality controlled processes through shorter routes, reduced organic waste and facile interfacing between chemo- and biocatalytic processes.

The future 'Net Zero Economy' will be based on new forms of energy (e.g., renewable electricity and hydrogen), new feedstocks (sustainably sourced biological and waste materials), and a new depth of data. These changes present particular problems for the process industries (bulk and fine chemicals, food and beverages, pharmaceuticals, manufacturing, and utilities etc). To 'Engineer Net Zero' in these industries, they must undergo the most profound transformation since the industrial revolution. To accommodate these new energy types, novel feedstocks and new data, entirely new processes, process technologies and green chemical routes will have to be developed. The scale of the challenge is enormous; manufacturing alone accounts for ~10% of the total economic output of the UK (£203bn Gross Value Added) and ~7% of UK jobs (HMG, 2022). Research Challenges: The PINZ CDT will help to 'Engineer Net Zero' by developing new processes, green chemistries, and process technologies, via Research for Technology Transfer (O2) at the interfaces of process and chemical engineering, and the biological, chemical and data sciences. Our Research Themes (T) have been informed by and co-created with industry: (T1) Energy: The use of renewable electricity and hydrogen demands new ways to perform process steps (reactions, separations, heat transfer) and whole process design. (T2) Feedstocks: Sustainable feedstocks/raw materials and solvents (bio-based, carbon-neutral, waste-derived), will force the development of new process chemistry and technology. (T3) Data: The increasing quantity and quality of data (in-process, LCA, TEA) will dramatically change how we design, operate, and monitor processes. Training Challenges: Build Back Better: Our Plan for Growth (HMT, 2021), and The UK Innovation Strategy: Leading the Future by Creating It (BEIS, 2021) highlight a strategic focus on skills development, innovation, and Net Zero to transform the UK into a global science and engineering superpower. To meet these substantial challenges and maintain the UK as a technology hub and global leader in innovation in the process industries, the UK requires pioneering, innovative, and knowledgeable chemical engineers/chemists. These world-class, doctoral-level graduates will not only be required to navigate these challenges: they will need to lead the change. The PINZ CDT will create these 'Net Zero-enabled' future leaders via a nurturing, supportive and collaborative training environment, which will equip the researchers with the tools to develop, analyse, evaluate, and implement new technologies and processes during their projects and future careers. Student-Centred Training (O1) will underpin everything we do, tailoring research training both at the individual and CDT level, alongside the provision of the management, entrepreneurship, and business skills that industry demands. Throughout their training, we will facilitate peer-to-peer interactions within and across cohorts to build a community and engender a broad exchange of ideas. This is especially important when working with students from diverse academic and personal backgrounds and recognises the contribution diversity makes to a challenge on the scale of Net Zero. Delivery: PINZ will be led by the world's largest Process Intensification Group (PIG, Newcastle University), and the world-leading Green Chemistry Centre of Excellence (GCCE, University of York), leveraging >40 years of combined experience in technology transfer and >40 ongoing industrial partnerships. Only through this combination of the 'biggest and best' can the internationally leading education, training, and research needed to produce the next generation of leaders and innovators for Net Zero be realised.

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.