Modelling of Adsorption Dynamics in Microporous Adsorbents Using Fractional Order Diffusion Equations. This project investigates the use of fractional order diffusion equations in modelling adsorption dynamics in microporous carbons. The long tail behaviour of adsorption processes cannot be readily explained by the classical second order Fickian model, and makes adsorption a candidate for the use of fractional order diffusion equations that have the potential to model such features. In the pre ....Modelling of Adsorption Dynamics in Microporous Adsorbents Using Fractional Order Diffusion Equations. This project investigates the use of fractional order diffusion equations in modelling adsorption dynamics in microporous carbons. The long tail behaviour of adsorption processes cannot be readily explained by the classical second order Fickian model, and makes adsorption a candidate for the use of fractional order diffusion equations that have the potential to model such features. In the present project we shall develop suitable numerical techniques for solving the fractional order diffusion model, and apply these to the interpretation of experimental kinetic data. The outcome will be an improved model of adsorption dynamics considering the fractal nature of the solid.Read moreRead less
Economic Operability Assessment of Leaching Process at Kwinana Nickel Refinery. Process operability is concerned with systematic analysis and improvement of process performance in the face of variable operating conditions. This project will develop a rigorous methodology for analysis of process operability with respect to short-term and transient disturbances. The proposed technique will be applied to the Kwinana Nickel Refinery Leach section, in order to reduce the plant variability and increas ....Economic Operability Assessment of Leaching Process at Kwinana Nickel Refinery. Process operability is concerned with systematic analysis and improvement of process performance in the face of variable operating conditions. This project will develop a rigorous methodology for analysis of process operability with respect to short-term and transient disturbances. The proposed technique will be applied to the Kwinana Nickel Refinery Leach section, in order to reduce the plant variability and increase nickel throughput and plant availability. This can be considered as significant move by a process industry to embrace advanced theoretical developments and will act as a benchmark to promote future links between Australian industry and academia.Read moreRead less
Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advanc ....Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advancement of emerging technologies in nanoscience, porous materials, membrane transport and drug design will benefit from this capability. The project therefore addresses the Priority Goal 'Breakthrough science'. A PhD student and an Early Career Research will be trained in research, gaining a range of valuable skills in theory and simulation. Read moreRead less
Fluctuations in the properties of nonequilibrium fluids and the influence of thermostatting mechanisms. The behaviour of nonequilibrium fluids will be studied by combining ideas from liquid state theory, statistical mechanics and dynamical systems theory. This work will result in development and testing of mathematical expressions (Fluctuation Theorems) that are consistent with the Second Law of Thermodynamics, which determines the direction of any change in any macroscopic system, but are also ....Fluctuations in the properties of nonequilibrium fluids and the influence of thermostatting mechanisms. The behaviour of nonequilibrium fluids will be studied by combining ideas from liquid state theory, statistical mechanics and dynamical systems theory. This work will result in development and testing of mathematical expressions (Fluctuation Theorems) that are consistent with the Second Law of Thermodynamics, which determines the direction of any change in any macroscopic system, but are also applicable to microscopic systems. The expressions will determine the probability that finite sized systems will violate the Second Law for small periods of time and will therefore contribute to development of a fundamental understanding of microscopic systems and the development of nanotechnology.
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Fluid properties and chaotic dynamics in equilibrium and nonequilibrium states. Over the last decade a revolution has been taking place in nonequilibrium statistical mechanics [Physics Today, Sept, 2002]. This revolution is characterized by adapting the mathematical theory of chaos to nonequilibrium statistical mechanics. Fundamental new theorems and algorithms for computing transport coefficients have been derived. The CIs have played a key role in this revolution. We seek to broaden these dev ....Fluid properties and chaotic dynamics in equilibrium and nonequilibrium states. Over the last decade a revolution has been taking place in nonequilibrium statistical mechanics [Physics Today, Sept, 2002]. This revolution is characterized by adapting the mathematical theory of chaos to nonequilibrium statistical mechanics. Fundamental new theorems and algorithms for computing transport coefficients have been derived. The CIs have played a key role in this revolution. We seek to broaden these developments by: generalizing a theorem which relates transport coefficients to chaoticity; detailed studies of the influence of thermostatting mechanisms on nonequilibrium chaoticity and fluctuations, and by understanding the range of applicability of a nonequilibrium fluctuation theorem for non-isoenergetic systems.Read moreRead less
Mathematical and mechanical models in nano-engineering and nanomedicine. The major environmental problems generated from global warming and the major human health problems, like cancer and diabetes, if they are to be solved at all, will most likely be resolved making use of advances in nanobiotechnology. This proposal will position Australia as a leader in the modelling of nanodevices such as gigahertz oscillators, nano-electromagnets, nanosensors, nanosyringes and nanoporous media suitable for ....Mathematical and mechanical models in nano-engineering and nanomedicine. The major environmental problems generated from global warming and the major human health problems, like cancer and diabetes, if they are to be solved at all, will most likely be resolved making use of advances in nanobiotechnology. This proposal will position Australia as a leader in the modelling of nanodevices such as gigahertz oscillators, nano-electromagnets, nanosensors, nanosyringes and nanoporous media suitable for hydrogen storage and gas separation, which will lead to new technologies and commercial spin-offs that will be of major benefit to this country. The applicants will develop a range of topics in nano-engineering and nanomedicine, training a team that will provide the next generation of researchers in these vital areas.Read moreRead less
Analysing Instabilities in Complex Combustion Models for Different Geometrical Configurations. Anyone who has gazed into a fire will appreciate the complexity of combustion. To date only the simplest of models have been comprehensively analysed. This project, which aims to analyse more complex combustion models, will address some of the fundamental issues of combustion theory. Results from this project will lead to a better understanding of combustion processes, with the potential to prevent exp ....Analysing Instabilities in Complex Combustion Models for Different Geometrical Configurations. Anyone who has gazed into a fire will appreciate the complexity of combustion. To date only the simplest of models have been comprehensively analysed. This project, which aims to analyse more complex combustion models, will address some of the fundamental issues of combustion theory. Results from this project will lead to a better understanding of combustion processes, with the potential to prevent explosions in reactors and storage tanks. Other potential applications range from bushfires to the manufacture of exotic materials. Furthermore, the novel mathematical techniques developed in this project can be easily adapted to other types of systems such as those used in biology (eg. epidemiology and tumour growth), economics, physics etc. Read moreRead less
Special Research Initiatives - Grant ID: SR0354741
Funder
Australian Research Council
Funding Amount
$10,000.00
Summary
Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of t ....Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of the quantum realm will lead to breakthrough science of vital importance to the development of frontier technologies in Australia. This Network will also place a strong emphasis on research training, the mentoring of early career researchers and establishing collaborations with leading international research groups and networks.
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Robust fluid mixing through topological chaos. The Australian chemicals and plastics industry has an annual turnover of over $20 billion and employs over 77,000 people; fluid mixing is fundamental to this industry, yet the industry is recognised as underinvesting in research and development in this essential area. Furthermore, frontier technologies such as biotechnology and the next generation of smart materials also crucially rely on fluid mixing. This project aims to evaluate a new paradigm ( ....Robust fluid mixing through topological chaos. The Australian chemicals and plastics industry has an annual turnover of over $20 billion and employs over 77,000 people; fluid mixing is fundamental to this industry, yet the industry is recognised as underinvesting in research and development in this essential area. Furthermore, frontier technologies such as biotechnology and the next generation of smart materials also crucially rely on fluid mixing. This project aims to evaluate a new paradigm (topological chaos) for the design of mixers, to provide better and more robust mixers that work from microscopic to industrial scales.Read moreRead less
Modelling of multiscale systems in engineering and science supports large-scale equation-free simulations and analysis. A persistent feature of complex systems in engineering and science is the emergence of macroscopic, coarse grained, coherent behaviour from the interactions of microscopic agents (molecules, cells) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are known, but the closures to translate microscale ....Modelling of multiscale systems in engineering and science supports large-scale equation-free simulations and analysis. A persistent feature of complex systems in engineering and science is the emergence of macroscopic, coarse grained, coherent behaviour from the interactions of microscopic agents (molecules, cells) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are known, but the closures to translate microscale knowledge to a system level macroscopic description are rarely available in closed form. Our novel, equation free, computational methodologies will circumvent this stumbling block, and promises to radically change the modeling, exploration and understanding of complex system behavior. We continue to develop this powerful computational methodology. Read moreRead less