Development of base-metal catalysed processes using electrochemical generation and recovery/recycle of catalysts

Aims:
This project will result in the development of novel base-metal catalysed processes using an industry 4.0 platform combining in-line analysis and algorithm control, with subsequent electrochemical removal of the metal from the product. Enhanced understanding and control of base-metal catalysis will enable a move away from precious metals, with electrochemical recovery/recycle allowing a more atom-efficient route to pharmaceutical and agrochemical products.

Methodology:
1. The integration and optimisation of in-line analysis within an electrochemical continuous flow platform for the synthesis and evaluation of base-metal catalysis.

This will involve initial 'proof of concept' evaluation of the platform with established, readily-available catalysts or salts, progressing to industrially relevant catalysts. Following this, investigation of industrially relevant catalyst synthesis and subsequent evaluation in industrially-relevant processes will be undertaken.

2. The development of an in situ base-metal (catalyst) removal protocol.
This will require the initial development with established electrochemical reaction waste and telescoping with the entire base-metal catalysed process. Subsequently, application of the developed protocol will be investigated with a range of base metals, leading to comparative studies with removal of precious metals (Pd/ Rd). There is the potential to apply this protocol to industrial waste streams during a placement with an industrial sponsor, pending discussion.

3. The development of an application-specific self-optimisation algorithm that can efficiently explore operating conditions of the electrochemical flow platform, to obtain the conditions that maximises the process' productivity, robustness and sustainability.

This will involve development of existing algorithms via the incorporation of green metrics and catalyst metrics, expanding to discrete variable optimisation (e.g. solvents/ metal salts, process/ catalyst lifecycle analysis). Obtained data through these optimisations will be provided for reaction modelling to inform process control/ optimisation (e.g. for sites of metal, ligand binding/release on electrode; flow regimes within reactor).

Impact:
Industry-standard reaction screening platform - impact through potential uptake in industry, through journal publications and through the potential for others to come to Leeds to use the platform to screen reactions that are of interest to them.

Enhanced understanding of base-metal catalysed processes - impact through industrial processes becoming more efficient and/or a move away from precious metals and through journal publications.

Electrochemical recovery/recycle of metal catalysts - potential industrial impact through more efficient/lower cost removal of metals, more atom efficiency through recovery/reuse.

Expected Deliverables:
Integration and optimisation of in-line analysis within an electrochemical continuous flow platform for the synthesis and evaluation of base-metal catalysis.

Electrochemical generation and screening of base-metal catalysts in a benchmark industrially relevant reaction to validate the platform.

Electrochemical generation and screening of base-metal catalysts in more challenging industrially relevant reactions.

Development of an in situ base-metal (catalyst) removal protocol.

Development of an application-specific self-optimisation algorithm that can efficiently explore operating conditions of the electrochemical flow platform, to obtain the conditions that maximises the process' productivity, robustness and sustainability.

The CDT in Molecules to Product has the potential to make a real impact as a consequence of the transformative nature of the underpinning 'design and supply' paradigm. Through the exploitation of the generated scientific knowledge, a new approach to the product development lifecycle will be developed. This know-how will impact significantly on productivity, consistency and performance within the speciality chemicals, home and personal care (HPC), fast moving consumer goods (FMCG), food and beverage, and pharma/biopharma sectors.
UK manufacturing is facing a major challenge from competitor countries such as China that are not constrained by fixed manufacturing assets, consequently they can make products more efficiently and at significantly lower operational costs. For example, the biggest competition for some well recognised 'high-end' brands is from 'own-brand' products (simple formulations that are significantly cheaper). For UK companies to compete in the global market, there is a real need to differentiate themselves from the low-cost competition, hence the need for uncopiable or IP protected, enhanced product performance, higher productivity and greater consistency. The CDT is well placed to contribute to addressing this shift in focus though its research activities, with the PGR students serving as ambassadors for this change. The CDT will thus contribute to the sustainability of UK manufacturing and economic prosperity.
The route to ensuring industry will benefit from the 'paradigm' is through the PGR students who will be highly employable as a result of their unique skills-set. This is a result of the CDT research and training programme addressing a major gap identified by industry during the co-creation of the CDT. Resulting absorptive capacity is thus significant. In addition to their core skills, the PGR students will learn new ones enabling them to work across disciplinary boundaries with a detailed understanding of the chemicals-continuum. Importantly, they will also be trained in innovation and enterprise enabling them to challenge the current status quo of 'development and manufacture' and become future leaders.
The outputs of the research projects will be collated into a structured database. This will significantly increase the impact and reach of the research, as well as ensuring the CDT outputs have a long-term transformative effect. Through this route, the industrial partners will benefit from the knowledge generated from across the totality of the product development lifecycle. The database will additionally provide the foundations from which 'benchmark processes' are tackled demonstrating the benefits of the new approach to transitioning from molecules to product.
The impact of the CDT training will be significantly wider than the CDT itself. By offering modules as Continuing Professional Development courses to industry, current employees in chemical-related sectors will have the opportunity to up-skill in new and emerging areas. The modules will also be made available to other CDTs, will serve as part of company graduate programmes and contribute to further learning opportunities for those seeking professional accreditation as Chartered Chemical Engineers.
The CDT, through public engagement activities, will serve as a platform to raise awareness of the scientific and technical challenges that underpin many of the items they rely on in daily life. For example, fast moving consumer goods including laundry products, toiletries, greener herbicides, over-the-counter drugs and processed foods. Activities will include public debates and local and national STEM events. All events will have two-way engagement to encourage the general public to think what the research could mean for them. Additionally these activities will provide the opportunity to dispel the myths around STEM in terms of career opportunities and to promote it as an activity to be embraced by all thereby contributing to the ED&I agenda.