1 FINAL TAXONOMY & DESCRIPTORS FOR UK CHEMICAL ENGINEERING (JANUARY 2014) Sub-Fields Descriptor Area-1: Engineering Science of a. Transport Transport phenomena lie at the heart of all processes, and encompass the fields of fluid mechanics, heat transfer Physical Processes Processes and mass transfer. Traditional areas of research include turbulent flows, multiphase flows, flows of complex fluids, flow induced by electric or magnetic fields, flow through porous media, transport at interfaces, tribological properties at interfaces, heat transfer (conduction, forced and natural convection, radiation) and ancillary modes (e.g. Dufour effect), and mass transfer (diffusive and convective, with various driving forces for the former, as well as the Soret ancillary mode). Current topics of interest include experimental, theoretical and computational studies of multi-scale fluid mechanics, tribological properties at different scales, heat transfer and mass transport at interfaces: at macro scales involving the interaction with turbulent fields with associated complex interfacial dynamics (wave formation, droplet entrainment, bubble entrapment), at micro scales (e.g. microfluidic and nanoscale devices, within microreactors and across membranes), the flow mechanics of complex fluids and biomolecules (e.g. DNA electrophoresis), and non-Newtonian flow properties of ‘complex fluids’ (polymers, blends, emulsions, suspensions, surfactants, etc.). A full understanding and prediction of turbulences remains one of the key challenges in the area, as does coupled modelling of multi-scale phenomena. b. Thermodynamics Covered here are investigations of the thermophysical properties and phase behaviour of complex chemical systems. Modern approaches couple experiment with advanced molecular modelling to develop fundamental understanding and prediction of the dependence of bulk and interfacial thermophysical properties on molecular structure and interactions. Continued advances in theoretical techniques enable studies that involve the application of statistical mechanics and simulation to engineering problems associated with a broad range of applications, e.g. the separation of bulk and fine chemicals, oil/gas extraction and petrochemical refining/processing, formulations of consumer products, new solvents, crystal polymorphs, polymer blends, refrigerants, processing/formulation of pharmaceuticals and drugs, nanomaterials, foods, degradation and stabilisation of biological systems, understanding solubility and crystallisation, CO2 capture and sequestration. c. Rheology Covered here are studies concerned with the flow and deformation of matter under any applied force or stress. Research addresses problems associated with the flow of complex fluids, soft solids and biological fluids as well as rheological properties at/close-to interfaces. Rheological studies are important in the formulation of personal care products, processing of polymers, developments in enhanced oil recovery, quality control of food products, and the understanding structure-function relationships of soft materials used in many nanotechnological and biomedical applications (e.g. microgels) and coatings. d. Separations Captures research focused on methods for the separation and bio-separation of molecules/mixtures/products/impurities. Approaches to separation include concentration-driven, 2 Sub-Fields Descriptor electric/magnetic field-controlled, gravity-controlled, size-controlled, pressure-controlled, chemically assisted and temperature-related (cryogenic). Often gradients in temperature, pressure and chemical are considered together. This area also includes separation technologies used for the removal of unwanted by-products as well as air, water and soil pollutants. e. Particle Covered here is research on the growth, formation (nucleation, growth – granulation, attrition, crystallisation), Technology processing (mixing, blending, segregation, aggregation, communition), measurement (particle size, shape, distribution), characterisation, and modeling of systems that may be dry or wet, multiphase, dense or dilute, fast or slow moving. This includes the fundamental understanding of powder flow, friction and particle/particle interaction, and multi-phase systems, where for example control of dispersed phase size, internal structure, diffusional properties are important. The production of particulate materials with controlled properties is of major interest to a wide range of industries, including chemical and process, oil extraction, food, detergent, cosmetics, pharmaceuticals, and the minerals and metallurgical processing and the handling of particles in gas and liquid solutions is a key technological step in chemical engineering. The area also includes aerosol systems and problems associated with the formation, growth, measurement and modelling of systems of small particles in gases. Chemical engineers play a key role in the characterization of aerosols, modelling their formation and the evolution of their size and shape. Area-2: Engineering Science of a. Catalysis Captured here is research on the applied catalysis and (photo)catalytic processes that play a key role in many Chemical Processes chemical, fuel and energy producing processes. Often the focus is on achieving more efficient, greener and sustainable processes. Research activities cover catalyst design and development (homogeneous or heterogeneous), optimisation, formulation, and manufacture; behaviour in terms of surface science, adsorption, and kinetics; solid-state materials science; role, control and engineering of porous materials; advances in fundamental quantum mechanical theories for the modelling and design of catalytic materials; heterogenisation of homogeneous catalysts; advanced catalytic processes using novel solvents, organometallics, non-metallic, organic and bio-catalysts; electrochemistry. Also included here are breakthroughs on the catalytic conversions of CO2 to fuels & chemicals, renewable resources to synthesis gas, liquids, or bio-based materials, as well as developments on CO hydrogenation, catalysis for fine chemical and pharmaceutical applications, flow chemistry and the environmental applications of catalysis (e.g. photo catalysis, NOx removal, oxidation of volatile organics). b. Kinetics and This sub-Field focuses on the quantitative analysis of different chemical reactors (e.g. batch, continuous, catalytic, Reaction contaminant cleanup, and fermentation), and how the chemical kinetics, often modified by catalysis, interacts with the transport phenomena (e.g. heat, mass, momentum). The research is reliant on in-line analytical methods such 3 Sub-Fields Descriptor Engineering as ion, gas, and liquid chromatography, optical spectroscopy, and other in-line sensors which allow reaction parameters to be monitored and analyzed in real time. A particular focus in recent years is on real-time reaction monitoring under reaction conditions using advanced instrumentation, such as NMR and X-ray techniques. Also quantum mechanical techniques are being used increasingly to predict the kinetics of reacting systems. c. Polymerisation Covered here are studies of the phase behaviour of polymer solutions and polymer blends, polymerisation kinetics Reaction and modeling, polymer mixing (e.g. control of molecular transport mechanism for polymer mixing), as well as the Engineering control, monitoring and optimisation of the process and polymer product (properties and structure) for various applications. d. Electrochemical Captures research activities concerned with the manipulation and optimisation of electrochemical reactions to Processes synthesise chemicals (organic, inorganic etc), electrochemical recycling and purification of chemicals/materials, metals recovery/refining/recycling and corrosion (including its prevention). Includes work on all types of novel electrochemical reactors and processes. The associated science and engineering of Fuel Cells and Batteries is covered in sub-Field 6e. Area-3: Engineering Science of a. Biocatalysis and This sub-Field show-cases research in biocatalysis and protein engineering where the emphasis is on the Biological Processes Protein Engineering applicability of the knowledge generated for improvements to current industrial bio-conversion routes for the generation of greener technologies. Typically these bio-transformations are affected using purified enzymes or whole cell systems (the “active” ingredient is still an enzyme). Some examples of topics included here are bio- catalytic reaction engineering, energy generation systems, biosensors, artificial cells and enzymatic bioprocessing for chemical production, biodegradation, biochemical separation/purification, fuel processing, etc. b. Cellular and This sub-Field brings together aspects of cellular and molecular biology with reaction engineering and control Metabolic theory to manipulate cellular processes to produce useful metabolites on an industrially/medically-relevant scale. Engineering Examples of cellular and metabolic engineering include Improved production of chemicals already produced by the host organism; Extended substrate range for growth and product formation; Addition of new catabolic activities for degradation of toxic chemicals; Production of chemicals new to the host organism; Modification of cell properties. 4 Sub-Fields Descriptor c. Bioprocess Bioprocess engineering uses the capabilities of microorganisms to produce a diverse range of commercially Engineering important biologically derived products