Summary: A novel laboratory scale continuous hydrothermal flow synthesis (CHFS) system has been developed for the controlled synthesis of inorganic nano-materials (particles <100nm) with potential commercial applications from sunscreens and battery materials to fuel cell components and photocatalysts. The CHFS system has many advantages; it is a green technology (using supercritical water as the reagent), which utilises inexpensive precursors (metal nitrate salts) and can controllably produce high quality, technologically important functional nano-materials in an efficient single step (or fewer steps than conventionally). This project seeks to move the existing laboratory scale CHFS system (developed over the past few years at QMUL) towards a x10 pilot scale-up (nano-powder production of up to 500g per 12h depending on variables). The proposed research will initially compare the ability to control particle characteristics of the CHFS system at the laboratory scale over a large range of process variables (flow rates, temperatures, pressures, etc), building full operational envelopes that will describe reactor variables versus particle properties for each material. In particular, we will utilise process analytical technology (PAT)and the data will help develop univariate and multivariate understanding of the temporal operational spaces and interactions between process variables and product quality. PATand chemometrics incorporated with combined computational fluid dynamics modelling of hydrodynamics/mixing and population balance modelling of particle size evolution via nano-precipitation will be used to study alternative nozzles designs and other potential bottleneck factors. This will lead to a generic strategy for scaling up and controlled manufacture of nanomaterials with consistent, reproducible and predictable quality. The scale up quantities of nano-powders from the pilot plant will allow industrial partners to perform prototyping or comprehensive commercial evaluation of nano-powders in a range of applications which they have hitherto not been able to conduct due to lack of sufficient high quality material. Importantly, the know-how acquired on the project and the proposed feasibility studies will reduce the risk and commercial barriers for industry that might consider building a larger industrial scale CHFS plant in the future.

The current advancement of technology very much depends upon the discovery of new materials. It has been known for some time that combinations of elements not involving carbon (called inorganic materials) can have important uses in areas from electronics, computing and UV protection in products, to harnessing energy from the sun. In particular, when inorganic particles are very small, typically made up of a few hundred atoms (called nanomaterials), they can have unusual and exciting properties. The discovery of such nanomaterials is very much hampered by our inability to make these materials fast enough and then to be able to test them adequately for their properties.The proposed research seeks to develop a new, faster way of making and discovering inorganic nanomaterials that can absorb sunlight (as an free energy source), and use this energy to split water into its constituents, hydrogen and oxygen (in a process known as photocatalysis). The hydrogen can then be used for powering cars or devices of the future. Such a process is important to sustain the energy requirements of mankind on this earth when our fossil fuels (e.g. oil) are exhausted.

The Industrial Doctorate Centre in Molecular Modelling and Materials Science (M3S) at University College London (UCL) trains researchers in materials science and simulation of industrially important applications. As structural and physico-chemical processes at the molecular level largely determine the macroscopic properties of any material, quantitative research into this nano-scale behaviour is crucially important to the design and engineering of complex functional materials. The M3S IDC is a highly multi-disciplinary 4-year EngD programme, which works in partnership with a large base of industrial sponsors on a variety of projects ranging from catalysis to thin film technology, electronics, software engineering and bio-physics research. The four main research themes within the Centre are 1) Energy Materials and Catalysis; 2) Information Technology and Software Engineering; 3) Nano-engineering for Smart Materials; and 4) Pharmaceuticals and Bio-medical Engineering. These areas of research align perfectly with EPSRC's mission programmes: Energy, the Digital Economy, and Nanoscience through Engineering to Application. In addition, per definition an industrial doctorate centre is important to EPSRC's priority areas of Securing the Future Supply of People and Towards Better Exploitation. Students at the M3S IDC follow a tailor-made taught programme of specialist technical courses, as well as professionally accredited project management courses and transferable skills training, which ensures that whatever their first degree, on completion all students will have obtained thorough technical and managerial schooling as well as a doctoral research degree. The EngD research is industry-led and of comparable high quality and innovation as the more established PhD research degree. However, as the EngD students spend approximately 70% of their time on site with the industrial sponsor, they also gain first hand experience of the demanding research environment of a successful, competitive industry. Industrial partners who have taken up the opportunity during the first phase of the EngD programme to add an EngD researcher to their R&D teams include Johnson Matthey, Pilkington Glass, Exxon Mobil, Silicon Graphics, Accelrys and STS, while new companies are added to the pool of sponsors each year. Materials research in UCL is particularly well developed, with a thriving Centre for Materials Research and a newly established Materials Chemistry Centre. In addition, the Bloomsbury campus has perhaps the largest concentration of computational materials scientists in the UK, if not the world. Although affiliated to different UCL departments, all computational materials researchers are members of the UCL Materials Simulation Laboratory, which is active in advancing the development of common computational methodologies and encouraging collaborative research between the members. As such, UCL has a large team of well over a hundred research-active academic staff available to supervise research projects, ensuring that all industrial partners will be able to team up with an academic in a relevant research field to form the supervisory team to work with the EngD student. The success of the existing M3S Industrial Doctorate Centre and the obvious potential to widen its research remit and industrial partnerships into new, topical materials science areas, which are at the heart of EPSRC's strategic funding priorities for the near future, has led to this proposal for the funding of 5 annual cohorts of ten EngD students in the new phase of the Centre from 2009.

Summary: A novel laboratory scale continuous hydrothermal flow synthesis (CHFS) system has been developed for the controlled synthesis of inorganic nano-materials (particles <100nm) with potential commercial applications from sunscreens and battery materials to fuel cell components and photocatalysts. The CHFS system has many advantages; it is a green technology (using supercritical water as the reagent), which utilises inexpensive precursors (metal nitrate salts) and can controllably produce high quality, technologically important functional nano-materials in an efficient single step (or fewer steps than conventionally). This project seeks to move the existing laboratory scale CHFS system (developed over the past few years at QMUL) towards a x10 pilot scale-up (nano-powder production of up to 500g per 12h depending on variables). The proposed research will initially compare the ability to control particle characteristics of the CHFS system at the laboratory scale over a large range of process variables (flow rates, temperatures, pressures, etc), building full operational envelopes that will describe reactor variables versus particle properties for each material. In particular, we will utilise on-line measurement of dynamic laser light scattering particle sizing, and at-line analytical methods. This data will help develop univariate and multivariate understanding of the temporal operational spaces and interactions between process variables and product quality. On-line sensing and chemometrics incorporated with combined computational fluid dynamics modelling of hydrodynamics/mixing and population balance modelling of particle size evolution via nano-precipitation will be used to study alternative nozzles designs and other potential bottleneck factors. This will lead to a generic strategy for scaling up and controlled manufacture of nanomaterials with consistent, reproducible and predictable quality. The scale up quantities of nano-powders from the pilot plant will allow industrial partners to perform prototyping or comprehensive commercial evaluation of nano-powders in a range of applications which they have hitherto not been able to conduct due to lack of sufficient high quality material. Importantly, the know-how acquired on the project and the proposed feasibility studies will reduce the risk and commercial barriers for industry that might consider building a larger industrial scale CHFS plant in the future.

The current advancement of technology very much depends upon the discovery of new materials. It has been known for some time that combinations of elements not largely involving carbon (called inorganic materials) can have important uses in areas from electronics, computing, UV protection in products, to harnessing energy from the sun. In particular, when inorganic particles are very small, typically made of a few hundred atoms (called nanomaterials), they become can have unusual and exciting properties. The discovery of such nanomaterials very much is hampered by our inability to make these materials fast enough and then to be able to test them adequately for their properties.The proposed research seeks to develop a new way of making and discovering inorganic nanomaterials using a very fast approach. This project is seeking to discovery better nanomaterials, which can absorb the suns rays (as an free energy source), and use this energy to split water into its constituents, hydrogen and oxygen (in a process known as photocatalysis). The hydrogen can then be used for powering cars or devices of the future. Such a process is important to sustain the energy requirements of mankind on this earth when our fossil fuels (e.g. oil) are exhausted.