High performance electrolyte for the vanadium redox flow battery. Vanadium batteries present a highly-scalable, sustainable solution for storage of renewable electricity, but the technology needs to be improved for robust and efficient operation in the warm Australian climate. This project aims to design and extensively test new high-performance electrolyte compositions with advanced thermal stabilising additives for safe long-term battery operation at 60 °C. New knowledge in materials science a ....High performance electrolyte for the vanadium redox flow battery. Vanadium batteries present a highly-scalable, sustainable solution for storage of renewable electricity, but the technology needs to be improved for robust and efficient operation in the warm Australian climate. This project aims to design and extensively test new high-performance electrolyte compositions with advanced thermal stabilising additives for safe long-term battery operation at 60 °C. New knowledge in materials science and electrochemistry will be generated. The core outcome of the project is a sustainable large-scale energy storage technology ready for immediate application in Australia. This will support the transition of the Australian energy sector to renewables and provide businesses with distributed energy storage solutions.Read moreRead less
New Methods in the Theory and Computational Modelling of Unimolecular and Complex-Forming Bimolecular Reactions. This project will develop new theory and computational methods for the prediction of chemical reaction rates with massively increased efficiency. Complex reactions occurring in combustion which are surprisingly common, but have previously been only poorly understood. The project will make possible the application of detailed statistical and quantum dynamical theories to such complex r ....New Methods in the Theory and Computational Modelling of Unimolecular and Complex-Forming Bimolecular Reactions. This project will develop new theory and computational methods for the prediction of chemical reaction rates with massively increased efficiency. Complex reactions occurring in combustion which are surprisingly common, but have previously been only poorly understood. The project will make possible the application of detailed statistical and quantum dynamical theories to such complex reactions in order to improve the quality of chemical data which is used for modelling atmospheric change and pollution.
Read moreRead less
Predicting Environmental Effects on Structure and Reactivity. This project tackles one of the most important and fundamental problems in theoretical chemistry: solvent effects on chemical reactions. The new methods and computer programs generated will be freely available to the Australian (and international) scientific communitities and will further enhance Australia's strong reputation in Theoretical Chemistry.
The applications chosen will allow new technologies in biosensing and strategies in ....Predicting Environmental Effects on Structure and Reactivity. This project tackles one of the most important and fundamental problems in theoretical chemistry: solvent effects on chemical reactions. The new methods and computer programs generated will be freely available to the Australian (and international) scientific communitities and will further enhance Australia's strong reputation in Theoretical Chemistry.
The applications chosen will allow new technologies in biosensing and strategies in computational drug design to be investigated. This will benefit the Australian biotechnology and pharmaceutical industries and may substantially aid in understanding the mechanism and treatment of disease. Read moreRead less
Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledg ....Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledge of how these proteins function and how we can manipulate and enhance their properties as imaging agents. It will achieve fundamental advances in biomolecular modelling techniques, train graduates with exceedingly valuable skill sets as well as deriving knowledge that aids the development of Australia's biotech industries.Read moreRead less
The energetics and dynamics of chemical reactions of polyatomic molecules involving multiple electronic states. This project will produce, from first principles, the first quantitatively accurate computer simulations of chemical reactions which involve several atoms and multiple electronic states. Many of the most important chemical reactions in the atmosphere (and elsewhere) involve changing both the shape of the molecules and their electronic structure. Many of these reactions are difficult to ....The energetics and dynamics of chemical reactions of polyatomic molecules involving multiple electronic states. This project will produce, from first principles, the first quantitatively accurate computer simulations of chemical reactions which involve several atoms and multiple electronic states. Many of the most important chemical reactions in the atmosphere (and elsewhere) involve changing both the shape of the molecules and their electronic structure. Many of these reactions are difficult to study in the laboratory, and consequently computer simulation is an essential component of the study of such reactions. U nderstanding how these reactions occur, and how fast they proceed, are important to our understanding of the dynamics of the atmosphere and other large scale reactors.Read moreRead less
Quantum Unimolecular Reaction Dynamics: from Isolated Molecules to Protein-Embedded Chromophores. The outcomes of this research will (a) enhance the reputation of Australian science internationally,(b) develop highly skilled research personnel with core capabilities in computational chemistry who can contribute to Australian industry, (c) lead to more accurate modelling of atmospheric ozone depletion phenomena, and (d) improve our understanding of the most common cellular imaging tool - the Gree ....Quantum Unimolecular Reaction Dynamics: from Isolated Molecules to Protein-Embedded Chromophores. The outcomes of this research will (a) enhance the reputation of Australian science internationally,(b) develop highly skilled research personnel with core capabilities in computational chemistry who can contribute to Australian industry, (c) lead to more accurate modelling of atmospheric ozone depletion phenomena, and (d) improve our understanding of the most common cellular imaging tool - the Green Fluorescent Protein - with spinoff benefits for molecular biology research in Australia through the potential for design of new fluorescent proteins.Read moreRead less
Process Chemistry for Distributed Manufacture of Nitric Acid. This project will benefit Australia by enabling a new approach to the manufacture of explosives for the country's mining industry which will provide the entire explosives supply chain with greater safety and security. Development of this technology will enhance Orica's competitive position as the largest manufacturer of mining explosives in the world and will produce wealth for the country through the continued success of this ASX Top ....Process Chemistry for Distributed Manufacture of Nitric Acid. This project will benefit Australia by enabling a new approach to the manufacture of explosives for the country's mining industry which will provide the entire explosives supply chain with greater safety and security. Development of this technology will enhance Orica's competitive position as the largest manufacturer of mining explosives in the world and will produce wealth for the country through the continued success of this ASX Top 50 company and the export of the technology.Read moreRead less
Blocking of the interfaces of polymeric ion sensors - implications for novel sensor applications. Control of the transmembrane fluxes of polymeric ion sensors represents a paradigm shift that has revolutionised the use of these analytically important devices. This project will develop and characterise innovative methods for controlling these fluxes by using blocked interfaces, and this has important ramifications for the development of robust and reliable sensors, as well as novel biosensors.
Bioinspired interfaces for improved carbon fibre composite performance. Carbon fibre composites, where carbon fibres are embedded in a polymer matrix, are gradually replacing traditional materials such as steel. For example, composites make up 50 per cent of Boeing’s 787 Dreamliner, resulting in a 20 per cent improvement in fuel economy. There is significant scope for improving the damage tolerance of these materials. A fundamental lack of understanding around the fibre matrix interface currentl ....Bioinspired interfaces for improved carbon fibre composite performance. Carbon fibre composites, where carbon fibres are embedded in a polymer matrix, are gradually replacing traditional materials such as steel. For example, composites make up 50 per cent of Boeing’s 787 Dreamliner, resulting in a 20 per cent improvement in fuel economy. There is significant scope for improving the damage tolerance of these materials. A fundamental lack of understanding around the fibre matrix interface currently limits the development of new composite systems to overcome the problems with damage tolerance. This project takes inspiration from nature to develop a fundamental understanding of the interfaces within carbon fibre composites and optimise their behaviour via model-guided surface and interface engineering. Read moreRead less