EPSRC Reference: |
GR/M29023/01 |
Title: |
MODELLING (DE)HYDRATION, ION-EXCHANGE & IMMOBILISATION IN NANO-POROUS AND OTHER MATERIALS |
Principal Investigator: |
Barnes, Professor P |
Other Investigators: |
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Researcher Co-Investigators: |
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Project Partners: |
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Department: |
Biological Sciences |
Organisation: |
Birkbeck College |
Scheme: |
Standard Research (Pre-FEC) |
Starts: |
01 March 1999 |
Ends: |
30 June 2002 |
Value (£): |
198,468
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EPSRC Research Topic Classifications: |
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EPSRC Industrial Sector Classifications: |
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Related Grants: |
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Panel History: |
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Summary on Grant Application Form |
This proposal is to develop new general procedures for the computer simulation/modelling of hydration, ion-exchange and dehydration in zeolites and other functional materials. The methodology would then be applied to prototype systems and materials of interest such as clinoptilolite with various ion-exchange schedules and heavy metal combinations; this latter study would be in collaboration with BNFL with a view to screening a large number of potential ion-combinations for extraction and immobolisation - such screening would extend over a range (both in number and degree of speculation) that could not be covered wholly by experimental means. The simulations would run in parallel with a programme of experimental data collection carried out by a quota PhD-student; it would primarily use synchrotron-EXAFS and powder diffraction measurements to aid the location of cations at various hydration/dehydration states and to assess the thermal stability of a selection of the materials under study.
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Key Findings |
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Potential use in non-academic contexts |
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Impacts |
Description |
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Summary |
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Date Materialised |
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Sectors submitted by the Researcher |
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Project URL: |
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Further Information: |
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Organisation Website: |
http://www.bbk.ac.uk/ |