Understanding mineral reactivity using computer simulations at realistic pH. The results of fundamental environmental and technological processes such as the production of alumina and the management of mine wastes largely depend on careful controlling the conditions at which the chemical reactions occur. Throughout this project, atomistic simulations will be used to unravel the effects of pH on the stability of minerals and to improve our knowledge of the dissolution and re-precipitation mechani ....Understanding mineral reactivity using computer simulations at realistic pH. The results of fundamental environmental and technological processes such as the production of alumina and the management of mine wastes largely depend on careful controlling the conditions at which the chemical reactions occur. Throughout this project, atomistic simulations will be used to unravel the effects of pH on the stability of minerals and to improve our knowledge of the dissolution and re-precipitation mechanisms of these materials. A better understanding of the basic science underpinning minerals’ reactivity will eventually translate into the development of new technologies and contribute to helping Australia’s advancement in developing a sustainable future as well as environment preservation and remediation.Read moreRead less
Producing clean energy through geomimetic chemistry. This project aims to provide new chemical pathways able to produce clean energy by following a computational geomimetic approach. It will generate new knowledge in the field of materials science, by characterising the rich mineral chemistry observed on ocean floors and in extra-terrestrial environments that is naturally able to produce fuel through harvesting carbon dioxide. Expected outcomes include a full understanding of chemical reactions ....Producing clean energy through geomimetic chemistry. This project aims to provide new chemical pathways able to produce clean energy by following a computational geomimetic approach. It will generate new knowledge in the field of materials science, by characterising the rich mineral chemistry observed on ocean floors and in extra-terrestrial environments that is naturally able to produce fuel through harvesting carbon dioxide. Expected outcomes include a full understanding of chemical reactions that are at present unexplored at a fundamental level. This will open new perspectives in their potential employment to address the contemporary challenge of producing clean energy and will generate environmental and economic benefit to the Australian and international communities.Read moreRead less
Uncovering molecular pathways to minerals for control of crystallisation. This project aims to increase our knowledge of the processes of mineral formation and crystallisation. Minerals play a vital role in our environment, for example as reservoirs for carbon dioxide, while also substantially contributing to the Australian economy. Conversely, undesirable formation of minerals can be detrimental to industries from the oil/gas sector through to desalination. Despite the benefits that would come ....Uncovering molecular pathways to minerals for control of crystallisation. This project aims to increase our knowledge of the processes of mineral formation and crystallisation. Minerals play a vital role in our environment, for example as reservoirs for carbon dioxide, while also substantially contributing to the Australian economy. Conversely, undesirable formation of minerals can be detrimental to industries from the oil/gas sector through to desalination. Despite the benefits that would come from controlling such crystal growth, progress has been limited by the lack of a complete understanding of how minerals form at the microscopic level. This project aims to combine computer simulation, using the latest petascale resources, with experimental data to yield knowledge that would allow us to manipulate minerals, such as calcium carbonate, with the same control found in nature.Read moreRead less
Australian Laureate Fellowships - Grant ID: FL180100087
Funder
Australian Research Council
Funding Amount
$2,539,442.00
Summary
Predictive simulation of crystallisation. This project aims to create new methodologies for quantitatively predicting the result of crystallisation processes, which are central to industries from pharmaceutical and food manufacture through to minerals processing. The outcomes will include the commercialisation of new technologies for computer modelling, economic impact in several key industries, and capacity building in analytical skills. Target project applications includes accelerating the dev ....Predictive simulation of crystallisation. This project aims to create new methodologies for quantitatively predicting the result of crystallisation processes, which are central to industries from pharmaceutical and food manufacture through to minerals processing. The outcomes will include the commercialisation of new technologies for computer modelling, economic impact in several key industries, and capacity building in analytical skills. Target project applications includes accelerating the development cycle for pharmaceuticals and reducing scale formation within both oil/gas pipelines and desalination plants.Read moreRead less