Our research

Modelling and simulation

Henry Bock, Xiong-Wei Ni, Raffaella Ocone, Gillian Thomson, Robin Westacott, Graeme White, Derek Wilkinson

Modelling and simulation are applied to a range of industrially significant engineering issues, covering the full spectrum of modern chemical engineering. Current research projects include deposition problems in oil and gas recovery, controlled crystallisation and morphology and gas hydrate formation/decomposition. Computational studies of nano-structured materials are focused on the rational design of new materials and consider the thermodynamics and mechanical properties of fluids under heterogeneous confinement. We also have interests in water/surfactant hydrogen bonding to determine aqueous surfactant solution properties. On-going modelling work as applied to cellular behaviour deals with the exploitation of basic dynamic laws, regulating the behaviour of a collection of particles (or molecules) which can be adapted and then applied to a population of cells.

Crystal and particle technology

Xiong-Wei Ni, Raffaella Ocone, Gillian Thomson, Robin Westacott, Graeme White, Derek Wilkinson

A characterisation of system behaviour from the molecular to the macro scale (i.e. industrially relevant) focuses on “batch crystallisation” and involves LES-CFD modelling, PIV/LDA validation for batch reactors with pilot-scale runs. A rigorous validated model of batch mixing, a microscopic on-line detection and characterisation system for in situ crystal shape monitoring have been established. The addition of molecular simulation tools serves to enhance our understanding of solution and interfacial phenomena and the clustering of solutes in supersaturated solution. We have developed a novel technique to convert FBRM measurements (widely used in the pharmaceutical and fine chemicals industries for crystallisation monitoring) into particle size distributions of non-spherical particles for process monitoring and control. Other research interests include crystal engineering of pigments and crystal growth of azo-pigments in the presence of solvents. On-going studies of gas-solid systems in the so-called “intermediate” regime involves a reassessment of existing theories of particle-particle interactions, which has led to the development of a comprehensive model for particle-gas flow.

Bio-molecular and applied life science technology

Henry Bock, Mark Keane, Gerard Markx, Xiong-Wei Ni, Graeme White, Nik Willoughby

A study of combined chemical and bio-catalytic (enzyme-synthetic inorganic catalyst) transformations is directed at the production of enantio-pure amines and amino acids. The application of high-solvent tolerant bacterial strains for treating contaminated waste and for use in bacterial fuel cells is under investigation. We are actively developing robust biocatalytic processes using silica immobilised enzymes to convert inexpensive and readily available substrates to products that can be used as drug building blocks and asymmetric starting materials for chiral auxiliaries. Methods for the construction of biomaterials with defined internal architectures are under consideration using various cell micro-manipulation techniques (electrical, magnetic, optical, ultrasound, micro-fluidic) with the aim of creating artificial cell micro-environments that can control cell behaviour (activity, differentiation and quiescence). Other projects involve research on biofilms and mammalian tissues, including the creation of artificial biofilms with defined internal architectures, of artificial skin with hair and feather follicles, and of artificial (blood) stem cell micro-niches. On-going investigations deal with the use of multifrequency dielectric spectroscopy to obtain information about cell properties during fermentation and the micro-manipulation of nano-particles, the separation of whole cells (bacteria, yeast, mammalian and plant cells) using dielectrophoresis and stem cell purification using charged surfaces. An innovative combination of dedicated devices and computer models is being used to scale-up bioprocessing unit operations (notably Expanded Bed Adsorption and Simulated Moving Bed purification systems) and whole processes. The fermentation of biopolymer and xanthan gums is also under investigation using novel bioreactors with significantly improved yields and reduced process times while photo-bioreactors are applied for cultivation of cyanobacteria with the aim of generating hydrogen.

Process and sustainable technology

 Mark Keane, Xiong-Wei Ni, Gillian Thomson, Robin Westacott

Pioneering research in oscillatory baffled reactors is applied to hydroformylation, wax deposition, multi-layer polymers and hydrate formation. The use of continuous flow micro-reactors in organic synthesis is under examination where greater control over product composition relative to conventional batch systems has been established. The development of new generation catalysts (transition metal/lanthanide combinations, supported gold and carbides/nitrides) is directed at the clean synthesis of fine chemicals and the treatment of environmental toxins. The sustainability theme is underpinned by projects dealing with the development of sustainable energy from biomass, pollution abatement through intensified processing, recycling of aerospace super alloys using novel solvent technologies and the application of a total sustainability management system integrating health and safety, quality and environmental systems. Direct methanol fuel cell (DMFC) research focuses on catalyst and membrane development, membrane-electrode assembly design/optimization and portable stack fuel cell prototyping. Ruthenium migration across membranes has been identified as a major cause of DMFC performance degradation while DMFC optimisation draws on modelling of methanol concentration and electric field distribution and the development of reference electrodes for in situ operation.