Molecular Systems Engineering of High-Value Structured and Formulated Products

The focus of research in Molecular Systems Engineering is the development of methods and tools for the design of better products and processes in applications where molecular interactions play a central role. To date we have developed a successful activity focussed mostly on large-scale gas-liquid processes. A strategic objective of this proposal is to make a leap to the more challenging high-value manufacturing arena, where formulated and structured products are prevalent. The combination of fundamental physical understanding, mathematical models, and numerical methods is the cornerstone of our approach. It allows us to reduce our dependence on rules-of-thumb which have traditionally been used to make models tractable but which have a limited validity. The success of this approach is strongly dependent upon the ability to exploit the synergies between molecular modelling and process engineering, as we have demonstrated in the design of novel processes for carbon dioxide capture from natural gas. Our team of investigators and RAs will be ideally positioned to overcome the challenges posed by high-value products and processes thanks to its current expertise, the investment we have made in breaking down the barriers to interdisciplinary work, and the new skills, continuity and flexibility afforded by a platform grant.
An overriding objective of the platform grant is to fast-track the careers of the individual researchers involved. Supporting the careers of researchers has always been central to our approach to research. This grant will give us a unique ability to push this further by providing us with the resources and critical mass to put in place a more structured development programme.

The economic and societal impact of the proposed research will be realised through improvements in product and process design in the high-value chemical manufacturing sector, which includes pharmaceuticals, agrochemicals, consumer products, paints & coatings, refrigerants. These industries play an important role in the UK economy, and develop products which have a clear impact on healthcare and well-being. One aim of this platform grant is to develop techniques rooted in fundamentals that are relevant to practical applications and can be adopted by industry. The strong emphasis on the development of highly-skilled postdoctoral researchers will also be an important catalyst for technology transfer.

Four leading companies from the high-value chemical manufacturing sector (BMS, GSK, Syngenta, Procter & Gamble) have stated the importance of the challenges we aim to address, and the appropriateness of the methods we will pursue. They will benefit from the research through direct involvement with the work. We will also make sure we reach other industrial beneficiaries thanks to our engagement with the Chemistry Innovation KTN, the EPSRC Directed Assembly Grand Challenge Network, the Industrial Consortium of the Centre for Process Systems Engineering (CPSE) and professional societies.

The team of investigators has a very strong track record of transferring technology transfer through spin-out companies, software licensing, short courses and workshops, training of high-calibre researchers, consulting, and industrially-sponsored research. Notable achievements include (i) the creation of PSE Ltd, a high-technology company delivering software and consulting services to a large number of Fortune 500 companies and winner of the prestigious MacRobert Award of the Royal Academy of Engineering (2007), and (ii) the licensing of SAFT technology. The impact plan we have developed is based on a range of routes to maximise the likelihood of success and to reach as wide a community as possible: training of researchers, publication in leading journals, conference presentations, participating in CPSE industrial consortium meetings, provision of a website, development of advanced courses for undergraduate and MSc students, two workshops, and identification of new partners.