Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We wi ....Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We will combine expertise in large molecule spectroscopy and photodissociation dynamics with technology in radical production to provide insight into these fundamental questions. Photodissociation dynamics is firmly embedded in photon science and technology.Read moreRead less
Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemica ....Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemical mechanism has the potential to change many of the reactions that we currently use in these chemical models. This project will determine how important this new mechanism is, and what its impact is on gas-phase reaction models.Read moreRead less
New laser and mass spectrometry methods for detecting protonation isomers. Mass spectrometry is a major tool for the detection of molecules for understanding disease, pollution control and chemical synthesis. However, intricate differences in molecular structure - vital to chemical function - can confuse detection methods leading to false negatives. This is especially problematic for complex biological samples. Recent breakthroughs in laser-based mass spectrometry methods, combined with ion mobi ....New laser and mass spectrometry methods for detecting protonation isomers. Mass spectrometry is a major tool for the detection of molecules for understanding disease, pollution control and chemical synthesis. However, intricate differences in molecular structure - vital to chemical function - can confuse detection methods leading to false negatives. This is especially problematic for complex biological samples. Recent breakthroughs in laser-based mass spectrometry methods, combined with ion mobility, now allow detection of subtle yet important structural features. This project aims to exploit these advances by developing new instrumentation and protocols with these enhanced capabilities thus accelerating advances in automated mass spectrometry, improved antibiotic detection and complex biomolecule screening.Read moreRead less
How does biodiesel fuel burn? Revealing the chemical processes of methyl ester decomposition and oxidation. It is increasingly likely that a major proportion of the next-generation transport fuels will be derived from biological sources. Biodiesel is already an attractive prospect due to measured reductions in carbon monoxide and fine-particle emission along with its potential as a carbon-neutral fuel source. Impeding the rapid deployment of biodiesel-based engines is our limited understanding o ....How does biodiesel fuel burn? Revealing the chemical processes of methyl ester decomposition and oxidation. It is increasingly likely that a major proportion of the next-generation transport fuels will be derived from biological sources. Biodiesel is already an attractive prospect due to measured reductions in carbon monoxide and fine-particle emission along with its potential as a carbon-neutral fuel source. Impeding the rapid deployment of biodiesel-based engines is our limited understanding of the combustion processes at the molecular level. The purpose of this study is to reveal the underlying chemical processes of biodiesel-droplet burning using laser techniques, synchrotron radiation and mass spectrometry. The ensuing results will flow into modelling studies of biodiesel combustion systems and find practical application by guiding engine design.
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Gas phase studies of reactive organic radicals: a novel approach using mass spectrometry. Radical reactions play a crucial role in a range of important chemistries, ranging from the formation of photochemical smog to the accumulation of pathogens in the ageing body. Despite their importance, the reactions of many radicals are poorly understood because of current experimental limitations. In this project we propose to develop two new and broadly applicable techniques for probing radical chemistry ....Gas phase studies of reactive organic radicals: a novel approach using mass spectrometry. Radical reactions play a crucial role in a range of important chemistries, ranging from the formation of photochemical smog to the accumulation of pathogens in the ageing body. Despite their importance, the reactions of many radicals are poorly understood because of current experimental limitations. In this project we propose to develop two new and broadly applicable techniques for probing radical chemistry in the gas phase via novel applications of mass spectrometry. Combined with quantum chemical calculations and state-of-the-art thermodynamic measurements these methods will provide a comprehensive understanding of the reactivity of key organic radicals.Read moreRead less
The long-term impact of short-lived, fluorinated pollutants. In 1987, the Montreal Protocol has regulated the manufacture and use of compounds that deplete the ozone layer. Industry has innovated to produce new compounds that do not affect ozone levels, for use in refrigeration and other applications for modern society. We have discovered that the current generation of compounds called hydrofluoroolefins decompose in the atmosphere to produce the worst global warming gas known. We hypothesise th ....The long-term impact of short-lived, fluorinated pollutants. In 1987, the Montreal Protocol has regulated the manufacture and use of compounds that deplete the ozone layer. Industry has innovated to produce new compounds that do not affect ozone levels, for use in refrigeration and other applications for modern society. We have discovered that the current generation of compounds called hydrofluoroolefins decompose in the atmosphere to produce the worst global warming gas known. We hypothesise that other HFOs will also decay into global warming compounds. In this project we will determine the atmospheric consequences of modern refrigerants. Expected benefits include determination the best and worst compounds for environmental impact, and data to guide industry and legislators.Read moreRead less
Deep ocean thermodynamics and climate change. This project aims to obtain new insights into the thermodynamic and transport properties of mixtures containing water, particularly at high pressures, that impact directly on our understanding of climate change processes. The project will involve the use of a polarisable potential for water which has recently been demonstrated to yield predictions of high accuracy. It will be used to model saline water mixtures containing carbon dioxide, resulting in ....Deep ocean thermodynamics and climate change. This project aims to obtain new insights into the thermodynamic and transport properties of mixtures containing water, particularly at high pressures, that impact directly on our understanding of climate change processes. The project will involve the use of a polarisable potential for water which has recently been demonstrated to yield predictions of high accuracy. It will be used to model saline water mixtures containing carbon dioxide, resulting in valuable data for thermodynamic properties of the world's oceans. These data are of crucial importance for accurate climate change predictions and as such the project will have an important impact on understanding our changing environment.Read moreRead less
Functional Materials from Weakly-Structured Self-Assembly Fluids. This project seeks to understand how mixtures of simple molecules can form complex structured liquids. Such mixtures occur widely both in nature and industrial settings. By using an approach combining new, high-resolution experimental techniques with computer modelling, it is expected that a detailed picture of molecular arrangements in these liquids will be obtained, allowing the relationship between composition, structure and pr ....Functional Materials from Weakly-Structured Self-Assembly Fluids. This project seeks to understand how mixtures of simple molecules can form complex structured liquids. Such mixtures occur widely both in nature and industrial settings. By using an approach combining new, high-resolution experimental techniques with computer modelling, it is expected that a detailed picture of molecular arrangements in these liquids will be obtained, allowing the relationship between composition, structure and properties to be understood for the first time. The new understanding of molecular arrangements within liquids may be used to design new solvents for chemical synthesis and catalysis, new food, personal care and pharmaceutical formulations, and new, smart materials that change their properties under external stimulus.Read moreRead less