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Australian State/Territory : QLD
Field of Research : Chemical Engineering
Research Topic : computational model
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  • Funded Activity

    Discovery Projects - Grant ID: DP0877925

    Funder
    Australian Research Council
    Funding Amount
    $390,000.00
    Summary
    Quantum Induced Kinetic Molecular Sieving of Hydrogen Isotopes in Nanoporous Materials. This research addresses a key challenge in gas separation; that of separation of deuterium from hydrogen, while advancing the molecular science of adsorption and transport of light gases in molecularly confined spaces. This project has a multitude of benefits for Australia, not only because of the economic potential of deuterium, but because it will see a new generation of Australian researchers trained in mu .... Quantum Induced Kinetic Molecular Sieving of Hydrogen Isotopes in Nanoporous Materials. This research addresses a key challenge in gas separation; that of separation of deuterium from hydrogen, while advancing the molecular science of adsorption and transport of light gases in molecularly confined spaces. This project has a multitude of benefits for Australia, not only because of the economic potential of deuterium, but because it will see a new generation of Australian researchers trained in multidisciplinary cutting-edge research while addressing several areas of national priority, including breakthrough sciences, and development of frontier technologies, and thereby creating new opportunities for industry.
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    Funded Activity

    Discovery Projects - Grant ID: DP0556342

    Funder
    Australian Research Council
    Funding Amount
    $258,000.00
    Summary
    Improved Nanoscale and Molecular Models for Nanostructured Carbons, and their Applications in Simulation of Confined Fluids. This project has a multitude of benefits for Australia, a key one of which is the promotion of cross-disciplinary interaction and collaboration to conduct leading edge research in a technologically important area. In addition the project will utilize two PhD students who will be trained in research, and gain a broad range of skills in this multifaceted project involving t .... Improved Nanoscale and Molecular Models for Nanostructured Carbons, and their Applications in Simulation of Confined Fluids. This project has a multitude of benefits for Australia, a key one of which is the promotion of cross-disciplinary interaction and collaboration to conduct leading edge research in a technologically important area. In addition the project will utilize two PhD students who will be trained in research, and gain a broad range of skills in this multifaceted project involving theory, simulation and experiment. The research, grounded in molecular fundamentals, will also lead to the development of advanced tools for adsorption process modelling, useful in process design and scale-up, and contribute to Goal 1 of National Priority Area 3: Frontier Technologies for Building and Transforming Australian Industries.
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    Funded Activity

    Discovery Projects - Grant ID: DP0208804

    Funder
    Australian Research Council
    Funding Amount
    $292,000.00
    Summary
    Modelling of Adsorption Dynamics in Microporous Solids based on Molecular Dynamics Computations. This project seeks to incorporate non-equilibrium molecular dynamics calculations into particle scale models for adsorption kinetics. Molecular dynamics calculations will be performed for hydrocarbon molecules in small pores to obtain transport coefficients in pores of various sizes, at various bulk gas pressures and temperatures. These transport coefficients will be used in particle scale models t .... Modelling of Adsorption Dynamics in Microporous Solids based on Molecular Dynamics Computations. This project seeks to incorporate non-equilibrium molecular dynamics calculations into particle scale models for adsorption kinetics. Molecular dynamics calculations will be performed for hydrocarbon molecules in small pores to obtain transport coefficients in pores of various sizes, at various bulk gas pressures and temperatures. These transport coefficients will be used in particle scale models to obtain a dynamic model, which will be utilised to interpret experimental data from the literature as well as that being obtained in our laboratory. Such first principles-based modelling has not been performed before at the particle scale, and will mitigate the empiricism in existing approaches.
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    Funded Activity

    Discovery Projects - Grant ID: DP0879584

    Funder
    Australian Research Council
    Funding Amount
    $755,000.00
    Summary
    Development of Superflux Carbon Nanotube Membranes for Gas Separation. The project seeks to develop gas separation membranes displaying superfluxes - throughputs 10 to 100 times higher than current systems, with lower operating costs. There is compelling evidence that very high flow rates are achievable and they have been shown for single gas transport. Theory predicts that highly selective separations are possible, but this has not yet been experimentally shown - a key outcome from this proje .... Development of Superflux Carbon Nanotube Membranes for Gas Separation. The project seeks to develop gas separation membranes displaying superfluxes - throughputs 10 to 100 times higher than current systems, with lower operating costs. There is compelling evidence that very high flow rates are achievable and they have been shown for single gas transport. Theory predicts that highly selective separations are possible, but this has not yet been experimentally shown - a key outcome from this project. The applications are widespread and include separation of carbon dioxide from power station flue gas for sequestration, purification of natural gas and provision of pure component gases such as oxygen and nitrogen amongst others.
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    Funded Activity

    Linkage Projects - Grant ID: LP110100337

    Funder
    Australian Research Council
    Funding Amount
    $600,000.00
    Summary
    Solar-driven massive hydrogen production from biomass and biomass/coal mixtures by supercritical water gasification. Cheap and massive hydrogen production from renewable resources is one of the key challenges to achieve a hydrogen economy that promises to ultimately solve critical problems, such as energy depletion and climate change. This project exactly falls into this research and development priority and will benefit Australian economy and environment.
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