Chromonics are a fascinating class of lyotropic liquid crystals. They are usually formed in water from plate-like molecules, which self-assemble into aggregate stacks (rods or layers), which in turn self-organise to form liquid crystals. Chromonics are very poorly understood. Researchers are just beginning to understand how self-assembly is influenced by the interactions between molecules and how the process can be controlled by use of additives (such as small molecules or salt). Moreover, many known chromonic materials are based on industrial dyes, which are very difficult to purify; and this hampered some of the early investigations into phases and phase behaviour. Despite these difficulties it is beginning to be recognised that chromonic systems are far more common than once thought. Formation of stacked aggregates in dilute solution and/or chromonic mesophases at higher concentrations, have been widely reported in aqueous dispersions of many formulated products such as pharmaceuticals and dyes used in inkjet printing. Recently, there has been greatly enhanced interest in chromonics materials as functional materials for fabricating highly ordered thin films, as biosensors, and chromonic stacks have also been used to aid in the controllable self-assembly of gold nanorods. This proposal seeks to develop a novel class of chromonic molecules: nonionic chromonics based on ethylenoxy groups. Here, we will design new chromonic phases demonstrating novel structures (such as hollow water-filled columns and layered brick-like phases), which can be used for future applications. We will also investigate and control the self-assembly process, in a class of materials that can be purified, that are not influenced as strongly by salt (compared to most industrial dyes), where structural changes can be easily engineered by minor changes to a synthetic scheme, and where addition of other solvents can lead to major changes in both self assembly and phase behaviour. We will also use state-of-the-art modelling and theory, which has recently been shown to provide new insights into self-assembly in chromonics, to help design new materials. Here, the use of quantitative and semi-quantitative molecular modelling provides for the possibility of "molecular engineering" new phases. To accomplish our goals for this project we will bring together synthetic organic chemistry to design and make new materials; state-of-the-art physical organic measurements to characterise both the nature of self-assembly and the novel chromonic phases formed; and state-of-the-art modelling/theory to predict, explain and help control the chromonic aggregation.

This application requests funds to continue and develop the EngD in Formulation Engineering which has been supported by EPSRC since 2001. The EngD was developed in response to the needs of the modern process industries. Classical process engineering is concerned with processing materials, such as petrochemicals, which can be described in thermodynamic terms. However, modern process engineering is increasingly concerned with production of materials whose structure (micro- to nano- scale) and chemistry is complex and a function of the processing it has received. For optimal performance the process must be designed concurrently with the product, as to extract commercial value requires reliable and rapid scale-up. Examples include: foods, pharmaceuticals, paints, catalysts and fuel cell electrodes, structured ceramics, thin films, cosmetics, detergents and agrochemicals. In all of these, material formulation and microstructure controls the physical and chemical properties that are essential to its function. The Centre exploits the fact that the science within these industry sectors is common and built around designing processes to generate microstructure:(i) To optimise molecular delivery: for example, there is commonality between food, personal care and pharmaceuticals; in all of these sectors molecular delivery of actives is critical (in foods, to the stomach and GI tract, to the skin in personal care, throughout the body for the pharmaceutical industry);(ii) To control structure in-process: for example, fuel cell elements and catalysts require a structure which allows efficient passage of critical molecules over wide ranges of temperature and pressure; identical issues are faced in the manufacture of structured ceramics for investment casting;(iii) Using processes with appropriate scale and defined scale-up rules: the need is to create processes which can efficiently manufacture these products with minimal waste and changeover losses.The research issues that affect widely different industry sectors are thus the same: the need is to understand the processing that results in optimal nano- to microstructure and thus optimal effect. Products are either structured solids, soft solids or structured liquids, with properties that are highly process-dependent. To make these products efficiently requires combined understanding of their chemistry, processing and materials science. Research in this area has direct industrial benefits because of the sensitivity of the products to their processes of manufacture, and is of significant value to the UK as demonstrated by our current industry base, which includes a significant number of FMCG (Fast Moving Consumer Goods) companies in which product innovation is especially rapid and consumer focused. The need for, and the added value of, the EngD Centre is thus to bring together different industries and industry sectors to form a coherent underpinning research programme in Formulation Engineering. We have letters of support from 19 companies including (i) large companies who have already shown their support through multiple REs (including Unilever, P+G, Rolls Royce, Imerys, Johnson Matthey, Cadbury and Boots), (ii) companies new to the Centre who have been attracted by our research skills and industry base (including Bayer, Akzo Nobel, BASF, Fonterra (NZ), Bristol Myers Squibb and Pepsico).

The proposal seeks funds to renew and refresh the Centre for Doctoral Training in Formulation Engineering based in Chemical Engineering at Birmingham. The Centre was first funded by EPSRC in 2001, and was renewed in 2008. In 2011, on its 10th anniversary, the Centre received one of the Diamond Jubilee Queen's Anniversary Prizes, for 'new technologies and leadership in formulation engineering in support of UK manufacturing'. The scheme is an Engineeering Doctoral Centre; students are embedded in their sponsoring company and carry out industry-focused research. Formulation Engineering is the study of the manufacture of products that are structured at the micro-scale, and whose properties depend on this structure. In this it differs from conventional chemical engineering. Examples include foods, home and personal care products, catalysts, ceramics and agrichemicals. In all of these material formulation and microstructure control the physical and chemical properties that are essential to its function. The structure determines how molecules are delivered or perceived - for example, in foods delivery is of flavour molecules to the mouth and nose, and of nutritional benefit to the GI tract, whilst in home and personal care delivery is to skin or to clothes to be cleaned, and in catalysis it is delivery of molecules to and from the active site. Different industry sectors are thus underpinned by the same engineering science. We have built partnerships with a series of companies each of whom is world-class in its own field, such as P&G, Kraft/Mondelez, Unilever, Johnson Matthey, Imerys, Pepsico and Rolls Royce, each of which has written letters of support that confirm the value of the programme and that they will continue to support the EngD. Research Engineers work within their sponsoring companies and return to the University for training courses that develop the concepts of formulation engineering as well as teaching personal and management skills; a three day conference is held every year at which staff from the different companies interact and hear presentations on all of the projects. Outputs from the Centre have been published in high-impact journals and conferences, IP agreements are in place with each sponsoring company to ensure both commercial confidentiality and that key aspects of the work are published. Currently there are 50 ongoing projects, and of the Centre's graduates, all are employed and more than 85% have found employment in formulation companies. EPSRC funds are requested to support 8 projects/year for 5 years, together with the salary of the Deputy Director who works to link the University, the sponsors and the researchers and is critical to ensure that the projects run efficiently and the cohorts interact well. Two projects/year will be funded by the University (which will also support a lecturer, total >£1 million over the life of the programme) and through other sources such as the 1851 Exhibition fund, which is currently funding 3 projects. EPSRC funding will leverage at least £3 million of direct industry contributions and £8 million of in-kind support, as noted in the supporting letters. EPSRC funding of £4,155,480 will enable a programme with total costs of more than £17 million to operate, an EPSRC contribution of 24% to the whole programme.