| EPSRC Reference: |
GR/K11482/01 |
| Title: |
STRUCTURE AND TRANSPORT IN DRY IONIC POLYELECTROLYTES; A MOLECULAR SIMULATION STUDY |
| Principal Investigator: |
Clarke, Professor J |
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| Department: |
Chemistry |
| Organisation: |
UMIST |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
13 March 1995 |
Ends: |
12 March 1997 |
Value (£): |
60,631
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| EPSRC Research Topic Classifications: |
| Materials Characterisation |
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Summary on Grant Application Form |
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The aim of this research is to use molecular dynamics and Monte Carlo simulations to study the structural, transport and phase behaviour of dry ionic polymer systems. These belong to the family of ion-conducting polymer materials which offer exciting opportunities as electrolyte/separators in portable rechargeable batteries. Using carefully chosen model systems the objective is to improve the framework for understanding these systems at the molecular level, to identify conditions under which desired properties can be optimised and thence to contribute to the molecular design of practical materials. The requirement of long simulation times and the demand for high statistical precision dictates the need to use a high power parallel-processing computer.
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Key Findings |
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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 |
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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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