Outflows, Jets and Plumes. This project studies how fluid flows out from a small concentrated object into a second surrounding fluid. New solution methods will be provided, and new results about how these fluid flows evolve will be obtained. These are important problems with significance in modelling underwater explosions. They are also important in astrophysics, and will help explain the shapes of outflows from some stars or galaxies. The outcomes of the project will be a deeper mathematical un ....Outflows, Jets and Plumes. This project studies how fluid flows out from a small concentrated object into a second surrounding fluid. New solution methods will be provided, and new results about how these fluid flows evolve will be obtained. These are important problems with significance in modelling underwater explosions. They are also important in astrophysics, and will help explain the shapes of outflows from some stars or galaxies. The outcomes of the project will be a deeper mathematical understanding of which outflow shapes are stable, and under what circumstances they might become unstable. This will provide valuable information about galaxy shapes, and a new suite of computational methods for solving such problems.Read moreRead less
Crowns, cages and cavities: Insights into host-guest chemistry from experimental charge density analysis of supramolecular crystals. Supramolecular systems - molecular aggregates - underpin the design and development of materials for a vast number of potential applications, in areas as diverse as catalysis, targeted drug delivery, gas storage, chemical separation, electro-optics and nonlinear optics. They also serve as models for complex phenomena such as self-assembly and ligand-receptor bindin ....Crowns, cages and cavities: Insights into host-guest chemistry from experimental charge density analysis of supramolecular crystals. Supramolecular systems - molecular aggregates - underpin the design and development of materials for a vast number of potential applications, in areas as diverse as catalysis, targeted drug delivery, gas storage, chemical separation, electro-optics and nonlinear optics. They also serve as models for complex phenomena such as self-assembly and ligand-receptor binding. Outcomes will impact on several of the nation's articulated research priorities and, through involvement of postdoctoral fellows and postgraduate students in an international collaboration of this nature, the project contributes directly to producing graduates and researchers familiar with state-of-the-art experimental facilities, both within Australia and overseas.Read moreRead less
Voids in molecular crystals: Novel computational approaches to their characterization, physicochemical nature, and influence on bulk properties. Key to the research objectives is further development of our own innovative software and techniques, now used by hundreds of researchers worldwide for the visualization and exploration of the structure and properties of molecular crystals. Through involvement of postdoctoral fellows and PhD students in an international collaborative research program inv ....Voids in molecular crystals: Novel computational approaches to their characterization, physicochemical nature, and influence on bulk properties. Key to the research objectives is further development of our own innovative software and techniques, now used by hundreds of researchers worldwide for the visualization and exploration of the structure and properties of molecular crystals. Through involvement of postdoctoral fellows and PhD students in an international collaborative research program involving a synergy between software development and visualization, and sophisticated modelling of the detailed nature of molecular crystals, the project contributes directly to producing researchers familiar with state-of-the-art theoretical and computational techniques, and well equipped to match the needs of one of the nation's articulated research priorities.Read moreRead less
Light Activated Electrochemistry: Microelectrode Arrays with just one wire. Electrochemistry requires each electrode to be connected to the external circuit by a wire. With many electrodes this means many wires. Wires limit electrode density in arrays and dictate that the electrode architecture must be predetermined. This project aims to remove the need for a wire for each electrode by using light to sequentially connect each electrode to a single wire. This will be achieved using modified silic ....Light Activated Electrochemistry: Microelectrode Arrays with just one wire. Electrochemistry requires each electrode to be connected to the external circuit by a wire. With many electrodes this means many wires. Wires limit electrode density in arrays and dictate that the electrode architecture must be predetermined. This project aims to remove the need for a wire for each electrode by using light to sequentially connect each electrode to a single wire. This will be achieved using modified silicon electrodes where irradiating with light causes an increase in conductivity at the illumination spot. The project will explore the variables that influence the spatial resolution and apply the ideas to making soft connects for nanoelectronics and making high density electrode arrays for electroanalysis.Read moreRead less
Confinement of space based on association of water soluble container molecules. The proposed research addresses the use of water soluble bowl shaped molecules or ions (cavitands) in conjunction with metal ions and crown ether and related cryptand molecules to form molecular capsules, two or more of the components being pre-programmed to assemble thus. The new materials will be unique in supramolecular chemistry, with the associated architectures bearing on materials science, molecular electronic ....Confinement of space based on association of water soluble container molecules. The proposed research addresses the use of water soluble bowl shaped molecules or ions (cavitands) in conjunction with metal ions and crown ether and related cryptand molecules to form molecular capsules, two or more of the components being pre-programmed to assemble thus. The new materials will be unique in supramolecular chemistry, with the associated architectures bearing on materials science, molecular electronics, separation sciences, and drug delivery. The new range of water soluble container molecules that will become accessible as part of this proposal, promises new applications in these areas.Read moreRead less
Ferrihydrite : Fundamentals of a Natural Nanomaterial. The overarching goal of this project is to obtain the depth of knowledge necessary to achieve specific size, composition and morphology control in the crystallization of nanometer-sized iron oxides. The project focusses on the structural characteristics of the oxy-hydroxide phase ferrihydrite, which is a key intermediate in the formation of other iron oxides. The project will employ characterization techniques such as small-angle scattering ....Ferrihydrite : Fundamentals of a Natural Nanomaterial. The overarching goal of this project is to obtain the depth of knowledge necessary to achieve specific size, composition and morphology control in the crystallization of nanometer-sized iron oxides. The project focusses on the structural characteristics of the oxy-hydroxide phase ferrihydrite, which is a key intermediate in the formation of other iron oxides. The project will employ characterization techniques such as small-angle scattering, high resolution TEM, electron nanodiffraction and magnetic energy barrier distribution measurements to study crystallization processes of the iron oxy-hydroxide ferrihydrite, both in vivo and in vitro. The knowledge gained from the biological realm will allow us to devise new laboratory techniques for the preparation of nanoparticles, and provide important information about iron biomineralization to advance the treatment of iron overload diseases.Read moreRead less
Cyclophane Carbene Complexes as Catalysts: An Integrated Synthetic, Structural, and Mechanistic Approach. Metal-carbene complexes are emerging as efficient catalysts for chemical processes of immense importance to the pharmaceutical and fine chemicals industries. This project will build on the recent discovery of a family of complexes that exhibits the highest activity yet reported for metal-carbene catalysts in carbon-carbon bond-forming reactions. Insights into the ways the new catalysts work ....Cyclophane Carbene Complexes as Catalysts: An Integrated Synthetic, Structural, and Mechanistic Approach. Metal-carbene complexes are emerging as efficient catalysts for chemical processes of immense importance to the pharmaceutical and fine chemicals industries. This project will build on the recent discovery of a family of complexes that exhibits the highest activity yet reported for metal-carbene catalysts in carbon-carbon bond-forming reactions. Insights into the ways the new catalysts work will be gained through a combination of synthetic, mechanistic, and structural studies. This detailed investigation of structure/reactivity relationships will provide an understanding of why these catalyst are so efficient and hence give synthetic leads for the development of superior new catalysts suitable for industrial application.Read moreRead less
The effect of de-gassing on the dispersion and stability of emulsions and colloidal solutions. Although it is widely accepted that oil and water will not mix, the reverse has recently been found to occur (by the applicant) under the unusual conditions of complete de-gassing. This discovery has opened up new areas for investigation and for the development of new processes and products. Hydrocarbon oils and hydrophobic powders can now be readily dispersed in water without the use of additives. Ho ....The effect of de-gassing on the dispersion and stability of emulsions and colloidal solutions. Although it is widely accepted that oil and water will not mix, the reverse has recently been found to occur (by the applicant) under the unusual conditions of complete de-gassing. This discovery has opened up new areas for investigation and for the development of new processes and products. Hydrocarbon oils and hydrophobic powders can now be readily dispersed in water without the use of additives. However, the mechanisms involved have not yet been elucidated and it is the aim of this project to understand the process and develop potential commercial applications.Read moreRead less
Host-guest interactions in the solid state: models for an enhanced understanding of supramolecular chemistry. Molecular aggregates involving host and guest molecules underpin the design and development of functional materials in areas as diverse as catalysis, targeted drug delivery and gas storage. Project outcomes will facilitate the rationalisation and prediction of their properties and inspire future development of these important materials.
Taming carbon dioxide: Molecular interactions in the solid state. This project aims to investigate what features of host-guest systems are needed to encapsulate carbon dioxide in the solid state, particularly organic interactions guided by solid state observations. Technologies that reduce and manipulate atmospheric carbon dioxide will rely on understanding the intermolecular interactions between volatile molecules and designed substrates. This project will use structural chemistry, accurate X-r ....Taming carbon dioxide: Molecular interactions in the solid state. This project aims to investigate what features of host-guest systems are needed to encapsulate carbon dioxide in the solid state, particularly organic interactions guided by solid state observations. Technologies that reduce and manipulate atmospheric carbon dioxide will rely on understanding the intermolecular interactions between volatile molecules and designed substrates. This project will use structural chemistry, accurate X-ray diffraction data, complementary neutron diffraction experiments, quantum chemical calculations and computer graphics. These observations are expected to guide the synthesis of more efficient hosts.Read moreRead less