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
Advanced Nanoscale Materials Engineered from Diatomaceous Earth. Using natural materials of diatomaceous earth (DE) as a cheap and available resource by applying synthetic routes this project is directed towards the innovative development of new nanoscale materials with advanced properties. New mesoporous materials with intricate 3-D structures and nano sized features will be engineered from diatom silica for use in demanding applications such as separation and catalysis. These research outcomes ....Advanced Nanoscale Materials Engineered from Diatomaceous Earth. Using natural materials of diatomaceous earth (DE) as a cheap and available resource by applying synthetic routes this project is directed towards the innovative development of new nanoscale materials with advanced properties. New mesoporous materials with intricate 3-D structures and nano sized features will be engineered from diatom silica for use in demanding applications such as separation and catalysis. These research outcomes will enhance Australia's capacity in frontier technology and advanced materials, as well as bringing a competitive advantage to local industry through the development of such advanced materials.Read moreRead less
Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transi ....Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transition states. The technique will be applied to an important class of halide-cluster complexes that form a set of prototypical reactions. These species also play important roles ranging from ozone depletion through to industrial chemistry.Read moreRead less
Imaging chemical reaction dynamics from the transition state to reaction products. Chemical reactions play a key role in many atmospheric, environmental and industrial processes. An understanding of reactions at the molecular level will lead to significant economic benefits, through more efficient reaction control, and through the identification of the key environmental factors which influence why particular reactions proceed. Our study of chemical reaction dynamics has been driven by technolo ....Imaging chemical reaction dynamics from the transition state to reaction products. Chemical reactions play a key role in many atmospheric, environmental and industrial processes. An understanding of reactions at the molecular level will lead to significant economic benefits, through more efficient reaction control, and through the identification of the key environmental factors which influence why particular reactions proceed. Our study of chemical reaction dynamics has been driven by technological advances which enable key stages of a reaction to be imaged and studied at the molecular level. Read moreRead less
Isotopic fractionation in planetary atmospheres. Ongoing changes in the Earth's atmosphere, such as ozone depletion, demonstrate the need to understand atmospheric photochemical processes. Isotopic fractionation is one vehicle for obtaining
detailed insight into these processes. The proposed research will
increase our understanding of fundamental molecular processes and use these new results to improve our knowledge of isotopic fractionation in planetary atmospheres. The resulting models wil ....Isotopic fractionation in planetary atmospheres. Ongoing changes in the Earth's atmosphere, such as ozone depletion, demonstrate the need to understand atmospheric photochemical processes. Isotopic fractionation is one vehicle for obtaining
detailed insight into these processes. The proposed research will
increase our understanding of fundamental molecular processes and use these new results to improve our knowledge of isotopic fractionation in planetary atmospheres. The resulting models will lead to new insight into the Earth's ozone chemistry and the recent evolution of Titan's and Venus' atmospheres, including how much water may have been present on Venus in the recent past. The research program also enables Australian participation in three international spacecraft
missions.
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Quantum Mechanics and Planetary Atmospheres. The project will increase the visibility and status of Australian research, by the participation of researchers and students in a wide international collaboration, covering experiments, theory, and computation, which will solve a fundamental research problem that has previously defied understanding. The resulting nitrogen model will be relevant to the important fields of global and planetary atmospheric change, and will find immediate application in t ....Quantum Mechanics and Planetary Atmospheres. The project will increase the visibility and status of Australian research, by the participation of researchers and students in a wide international collaboration, covering experiments, theory, and computation, which will solve a fundamental research problem that has previously defied understanding. The resulting nitrogen model will be relevant to the important fields of global and planetary atmospheric change, and will find immediate application in the analysis of results from the NASA missions, Voyager, Cassini, and (later) New Horizons. In the experimental part of the project, an Australian-first extreme-ultraviolet laser facility will be developed which will provide research opportunities complementary to the Australian Synchrotron.Read moreRead less
Energetics, spectroscopy and dissociation dynamics of bimolecular complexes of atmospheric importance. The Global Warming debate illustrates the importance of having a firm scientific underpinning to calculations of the atmosphere. It is important in calculations of atmospheric chemistry to have all pathways and species properly accounted for. It has recently emerged that intermolecular complexes may play a role in atmospheric chemistry. Of these, those involving water are very important beca ....Energetics, spectroscopy and dissociation dynamics of bimolecular complexes of atmospheric importance. The Global Warming debate illustrates the importance of having a firm scientific underpinning to calculations of the atmosphere. It is important in calculations of atmospheric chemistry to have all pathways and species properly accounted for. It has recently emerged that intermolecular complexes may play a role in atmospheric chemistry. Of these, those involving water are very important because of water's ability to form strong hydrogen bonds. This project will provide key experimental data on one of the most important complexes, the water-hydroxyl radical complex.Read moreRead less
Molecular signatures of complex photodissociation reactions. All energy on earth comes from the sun, either directly (e.g photosynthesis) or indirectly (e.g fossil fuels). Photochemistry is the study of how this light is absorbed and what happens to a molecule afterwards. Despite significant experimental and theoretical advances in the past decade (some in our lab), scientists still cannot predict the outcomes of most photochemical reactions. In this project we will determine the reactivity o ....Molecular signatures of complex photodissociation reactions. All energy on earth comes from the sun, either directly (e.g photosynthesis) or indirectly (e.g fossil fuels). Photochemistry is the study of how this light is absorbed and what happens to a molecule afterwards. Despite significant experimental and theoretical advances in the past decade (some in our lab), scientists still cannot predict the outcomes of most photochemical reactions. In this project we will determine the reactivity of several small, fundamental organic molecules. Not only are these molecules pollutants around our cities, but discovery of how they react in the presence of light will allow us to understand and predict the photochemistry of a much wider range of organic species.Read moreRead less
Optimising Froth Zone Performance in Mineral Flotation. Froth flotation is the most widely applied technique for the selective separation of valuable mineral from gangue mineral particles. This project aims to optimize the selective separation of valuable minerals from gangue minerals within the froth zone of flotation. This project has very high national significance as deficiencies in the froth zone performance of industrial flotation plants, leads to a significant loss of valuable mineral f ....Optimising Froth Zone Performance in Mineral Flotation. Froth flotation is the most widely applied technique for the selective separation of valuable mineral from gangue mineral particles. This project aims to optimize the selective separation of valuable minerals from gangue minerals within the froth zone of flotation. This project has very high national significance as deficiencies in the froth zone performance of industrial flotation plants, leads to a significant loss of valuable mineral from mineral concentrates, as well as a reduction in concentrate grade and quality. An expected outcome of this project will be a series of new tools and methodologies to optimize froth zone performance, which will have industry wide application.Read moreRead less
Sulfuric acid formation from atmospheric sulfur trioxide and disulfur oxide: is one water molecule enough? Sulfate aerosols significantly affect the amount of solar radiation reaching the Earth, influencing the nett energy balance, and mitigating the greenhouse effect. A major source of these aerosols is sulfuric acid. Understanding the sources and formation rates of sulfuric acid production is of considerable importance for global climate models. This project will provide significant insight in ....Sulfuric acid formation from atmospheric sulfur trioxide and disulfur oxide: is one water molecule enough? Sulfate aerosols significantly affect the amount of solar radiation reaching the Earth, influencing the nett energy balance, and mitigating the greenhouse effect. A major source of these aerosols is sulfuric acid. Understanding the sources and formation rates of sulfuric acid production is of considerable importance for global climate models. This project will provide significant insight into the sulfur oxides and their water clusters, relevant to sulfuric acid formation, providing data applicable to the modelling of planetary atmospheres, especially timely for the Venus Express mission, and more importantly, the building of comprehensive climate models.Read moreRead less