| EPSRC Reference: |
GR/R29116/01 |
| Title: |
Control of Calcium Carbonate Growth By Ions, Molecules and Templates |
| Principal Investigator: |
Parker, Professor SC |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Chemistry |
| Organisation: |
University of Bath |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 2001 |
Ends: |
30 September 2004 |
Value (£): |
63,454
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| EPSRC Research Topic Classifications: |
| Chemical Structure |
Materials Synthesis & Growth |
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| EPSRC Industrial Sector Classifications: |
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Summary on Grant Application Form |
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The purpose of this proposal is to study the mechanisms of crystal growth using calcium carbonate as an example. This compound grows in a variel phases (calcite, aragonite, vaterite) and morphologies depending on the conditions. The growth mechanism is affected by ions and molecules. In particular, organic templates may control the form of the mineral that is grown on them. This property is of great importance in biology where a remarkable variety of biological composites based on calcium carbonate is produced. This example of biomineralisation has been intensively studiec both for the insight into crystallisation that it can give and in the hope that such understanding can enable new materials to be produced. This is the of biomimetics. This project will investigate the effects of ions, individual organic molecules and organic templates on the growth of calcium carbona aqueous solution using a combination of static and dynamic atomistic simulation techniques. Several models of the organic templates will be considered in detail. The atomistic simulations of individual processes will be linked to the mesoscale process of growth by two methods: classical nucleation theory and the direct simulation of growth models using kinetic Monte Carlo. The results will be compared with the large body of experims data available. Understanding of the growth mechanisms will lead to improved inhibitors of growth (as in descaling) and also to more effective methc of developing organic/mineral composites.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.bath.ac.uk |