邢唷>? €?~欹%` ˙bjbj"x"x 7@@?|66&:~tttt???????$p'h???tt?:tt??t 溇9 )"?&06&n*Kn*n*-5.?? 6&d vDv CSC projectsTitle of ProjectsSupervisors Detail (Name, title, email address)Projects DescriptionDesign of Advanced Nanomaterials for Efficient Solar Energy ApplicationDr. Lianzhou Wang HYPERLINK "mailto:l.wang@uq.edu.au"l.wang@uq.edu.auThe global concern over the declining fossil fuels and climate changes has seen great efforts being directed toward the development of new energy generation /conversion systems. Innovative materials for energy conversion hold the key for renewable energy production. The ability to design these nanomaterials with tailored structures and functionalised properties is an important challenge that researchers strive to meet. Aimed at developing new nanostructures for visible light driven photcatalytic air/water pollutant decomposition and solar cells, this project will be focusing on the band-gap modification and re-assembly of several types of nanosized transition metal oxides including titanate and niobate-based pervoskites for clean and sustainable solar energy conversion. Carbon Molecular Sieve Membranes for Ethanol DehydrationA/Prof. Joe da Costa  HYPERLINK "mailto:j.dacosta@uq.edu.au" j.dacosta@uq.edu.auEthanol dehydration is one of the most energy intensive processes for delivering anhydrous ethanol as fuels for the transportation sector. This project focuses on using nanotechnology to enhance the properties of carbon molecular sieve membranes for ethanol separation from aqueous solution. The membranes will be developed and tested at different temperature, pressure and concentration regimes.Available to: Chemical Engineering, Materials Engineering and Science, ChemistryPerovskite Hollow Fiber Membranes for Oxygen SeparationA/Prof. Joe da Costa  HYPERLINK "mailto:j.dacosta@uq.edu.au" j.dacosta@uq.edu.auThis project focuses on the development of mechanically robust inorganic hollow fibres for oxygen separation from air. Perovskites are ceramic type of materials with mixed ionic and electronic properties for the ionic transport of oxygen at elevated temperatures. Robust perovskite membranes are required in clean energy delivery in processes such as coal gasification or oxyfuel coal combustion. Available to: Chemical Engineering, Materials Engineering and Science, ChemistryMetal doped silica membranes for hydrogen separationA/Prof. Joe da Costa  HYPERLINK "mailto:j.dacosta@uq.edu.au" j.dacosta@uq.edu.auThe novelty of this project relates to incorporating metals into silica matrix to improve the properties of membranes for gas separation, in particular hydrogen from carbon dioxide. This project has potential applications for clean energy delivery technologies, in particular in coal gasification and petrochemical processes. The composite metal silica membranes will be developed and optimised for high fluxes and selectivity, and fully characterised using microscopy. Available to: Chemical Engineering, Materials Engineering and Science, ChemistryModelling Transport Phenomena of Gas Mixtures Separation in MembranesA/Prof. Joe da Costa  HYPERLINK "mailto:j.dacosta@uq.edu.au" j.dacosta@uq.edu.auGas mixture separation is paramount in the delivery of hydrogen for clean energy delivelry applications such as fuel cells in the transportation sector. In the case of molecular sieve membranes, gas separations has a temperature flux dependency (activated transport) which can be positive or negative depending on the gas, molecular kinetic diameter and adsorption properties. This project entails the fundamental study of gas mixtures at high temperatures and pressures using inorganic membranes.Available to: Chemical Engineering, Mechanical Engineering,Bayer alumina processing Prof Peter Hayes,  HYPERLINK "mailto:p.hayes@uq.edu.au" p.hayes@uq.edu.au A number of projects on fundamental aspects of Bayer alumina production chemistry including leaching and precipitationCopper smelting and convertingProf Peter Hayes, HYPERLINK "mailto:p.hayes@uq.edu.au"p.hayes@uq.edu.auExperimental studies and mathematical modelling of high temperature chemical phase equilibrium and viscosities of complex metallurgical slags Reduction of CO2 emissions in blast furnace ironmaking and recovery of titanium in iron blast furnace slagsProf Peter Hayes, HYPERLINK "mailto:p.hayes@uq.edu.au"p.hayes@uq.edu.auNew phase equilibrium studies are targeting the lowering of slag operation temperatures and optimising titanium oxide recovery from iron blast furnace slagsElectronic scrap recycling Prof Peter Hayes, HYPERLINK "mailto:p.hayes@uq.edu.au"p.hayes@uq.edu.auA new pyrometallurgical process route for the recovery of value metals from electronic scrap is to be tested. Fundamental aspects of slag phase equilibria will be determined experimentally.Development of a TriPod method in the Characterization of Porous Solid via Monte Carlo IntegrationProfessor D. D. Do  HYPERLINK "mailto:d.d.do@uq.edu.au" d.d.do@uq.edu.au This project involves the further development of a new method developed in this group to extend its application to real porous solids. These solids do not possess any particular shape or size, and therefore they should be characterized differently from what has been done with slit, cylindrical or spherical pores. We have developed a new method, which we call it TriPod method, and it is capable to deal with pores of any size and shape. Extension and combining of this new method is the next phase of the project.Kinetics and equilibrium separation of gaseous mixture via molecular simulationProfessor D. D. Do  HYPERLINK "mailto:d.d.do@uq.edu.au" d.d.do@uq.edu.au This project involves the application of the kinetic Monte Carlo simulation to understand the kinetics of adsorption in pores, especially the understanding of the mobility of adsorbed molecules in different regions of the pore. This understanding is important in the development of a macroscopic model to describe surface diffusion in porous solids such as activated carbonCorrect description of adsorption of gaseous mixtures on surfaces and in poresProfessor D. D. Do  HYPERLINK "mailto:d.d.do@uq.edu.au" d.d.do@uq.edu.au It is known that interaction of adsorbed molecules on surfaces or in the confined space of pores is not the same as that in the bulk phase where it behaves isotropically. This project investigates the microscopic origin of this by considering the multibody effects and the polarization. Failure to account for these could lead to incorrect description of adsorption isotherm and isosteric heatA new concept of pore volume in the characterization of porous solidsProfessor D. D. Do  HYPERLINK "mailto:d.d.do@uq.edu.au" d.d.do@uq.edu.au Most porous solids for gaseous separation or purification have pores of molecular dimension. This means that the roughness surface (configuration of surface atoms) can affect the way we determine the pore size, surface area and pore volume. This project will investigate the use of accessible volume as the key variable to characterize solid and its use in the calculation of various adsorption characteristics, such as isotherms and isosteric heats of mixtures.Understanding N2O production during nitrification and denitrificationProf. Zhiguo Yuan  HYPERLINK "mailto:zhiguo@awmc.uq.edu.au" zhiguo@awmc.uq.edu.au N2O, a potent greenhouse gas, can be produced during both nitrification and denitrification. If not properly controlled, its emission from wastewater treatment systems will cause significant fugitive greenhouse gas emissions. This project aims to gain a fundamental understanding of N2O production during both processes and to identify the key environmental factors leading to the accumulation and emission of N2O during wastewater treatment. Operational strategies that minimise N2O emission will also be developed and demonstrated.Development and optimisation of molecular sieving carbon membranes for CH4/CO2 separationProf. Suresh Bhatia  HYPERLINK "mailto:s.bhatia@uq.edu.au" s.bhatia@uq.edu.au Separation of CH4/CO2 mixtures is important to pipeline transportation of natural gas, as well as to on-going efforts on CO2 sequestration. The latter efforts are aimed at reducing emission of CO2 due to its global warming impact. This project is directed at synthesising novel molecular sieving carbons for this separation, and subsequently developing membranes based on this carbon. The equilibrium and transport properties of the membranes will be measured for CH4 and CO2, as well as for their mixtures, and the results interpreted using suitable mathematical models. A high pressure adsorption facility is already set-up in our laboratory. In addition, there is much scope for computer simulation of the equilibrium and transport, for students inclined towards such activity.Novel separation method for hydrogen isotopes by quantum confinementProf. Suresh Bhatia  HYPERLINK "mailto:s.bhatia@uq.edu.au" s.bhatia@uq.edu.au The separation of hydrogen isotopes is important in many applications, but is normally accomplished by highly energety consumptive cryogenic distillation and other methods. In our group we have shown that at low temperatures the strong quantum effect on light gases such as hydrogen results in significant positional uncertainty and an effective quantum induced swelling. This apparent swelling is larger for hydrogen compared to its heavier isotopes, and can be exploited in molecular sieving, and a patent application for a process based on this is in process. This project seeks to study the low temperature transport of hydrogen and deuterium in carbon molecular sieves and other nanoporous materials, experimentally as well as with computer simulation. Collaboration with a French group as well as with Prof. Sean Smith in Chemistry will be involved.Molecular modelling of carbon nanostructure and confined fluidsProf. Suresh Bhatia  HYPERLINK "mailto:s.bhatia@uq.edu.au" s.bhatia@uq.edu.au Carbons are commonly used in separation as adsorbents and as molecular sieves, and are considered the most promising candidates for emerging applications involving gas storage. However, their structure is complex and models of storage, separation and sieving often over-idealise the structure for the purpose of analysis and design. In our group we have been developing molecular models of carbons based on interpretation of x-ray diffraction data, and the results have shown many fascinating aspects such as dynamically connected pores whose accessibility is temperature dependent. This project aims to develop such molecular models for carbon fibres and carbide derived carbons synthesized in our laboratory, and to investigate adsorption and diffusion of simple gases such as CH4 and CO2 in these model structures via simulation methods. The results will be compared with experimental data obtained in this project using facilities and instruments available in our laboratory.Dynamics of adsorption in nanoporous materialsProf. Suresh Bhatia  HYPERLINK "mailto:s.bhatia@uq.edu.au" s.bhatia@uq.edu.au In recent years several newer silicas such as those of the MCM-41S family and other nanoporous materials such as templated carbons and carbon nanotubeshave been developed. Such materials have high surface areas with pore sizes tunable in the nanoscale region. They are potentially attractive as catalysts and catalyst supports, as adsorbents for large molecules, and as hosts for making nanowires as well as assembling a variety of molecular clusters having specific optonic and catalytic properties. We have comprehensively characterized MCM-41 using a battery of techniques, such as small angle x-ray and neutron scattering, adsorption and porosimetry, SEM, TEM as well as XRD. The ideal pore structure has also permitted us to develop and test new adsorption theories. The next phase of this work focuses on understanding the dynamics in such materials, which is challenging both from a fundamental and applications viewpoint. In this connection we have already performed some molecular dynamics studies with single component systems, and developed a novel new theory of diffusion and transport of adsorbates in such materials. The new studies now proposed focus on binary systems, and the new theory developed will be extended to multicomponent systems in conjunction with molecular dynamics simulation and experiments.Carbon nanotube membrane for gas separationProf John Zhu  HYPERLINK "mailto:z.zhu@uq.edu.au" z.zhu@uq.edu.au Carbon nanotube membranes have recently been theoretically predicted and experimentally shown to transport single component gases orders of magnitude faster than current conventional membranes. Theory also suggests that they can be made to have good selectivity, that is, to pass some gases through while preventing others. This project seeks to demonstrate experimentally superfluxes and high selectivity in CNT membranes. Guided by theory, the CNT membranes will be modified using metal doping to enhance selectivity for different gas separations including (as case studies) carbon dioxide from flue gas and from natural gas.We plan to have two PhD students to work on this project: one is on molecular simulations and one is on experiments.Development of a Novel One Step Process for Gas Conversion to LiquidProf John Zhu  HYPERLINK "mailto:z.zhu@uq.edu.au" z.zhu@uq.edu.auThis project aims to develop a novel one step process for turning natural gas into liquid fuels using plasma-catalyst hybrid process. Recent dramatic increase in crude oil price and depleting oil reserves have led to renewed interests in alternative energy sources for gasoline production. The traditional Fischer-Tropsch reaction to produce hydrocarbons has never been economically viable. This project has the potential to provide a much more effective and economical process for converting gas to liquid within a smaller space compared with the traditional process.Water desalination by dissolved air flotation Prof Anh Nguyen, HYPERLINK "mailto:anh.nguyen@eng.uq.edu.au"anh.nguyen@eng.uq.edu.au The project will examine separation of salt ions and fine particulate particles by attachment to rising gas bubbles in saline (sea and ground) water under applied pressure. The study will focus on the effect of ion specificity (charge, polarisablity and size) on the formation and stability of very small-scale (nanometre and submicron) bubbles in water and at interfaces. It will also investigate how the small-scale bubbles influence interfacial attractive forces, drainage, and coalescence of liquid films in the flotation processes. 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