EPSRC logo

Details of Grant 

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:
Catlow, Professor R
Researcher Co-Investigators:
Project Partners:
BNFL
Department: Biological Sciences
Organisation: Birkbeck College
Scheme: Standard Research (Pre-FEC)
Starts: 01 March 1999 Ends: 30 June 2002 Value (£): 198,468
EPSRC Research Topic Classifications:
EPSRC Industrial Sector Classifications:
Energy
Related Grants:
Panel History:  
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.
Key Findings
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
Potential use in non-academic contexts
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
Impacts
Description This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
Summary
Date Materialised
Sectors submitted by the Researcher
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
Project URL:  
Further Information:  
Organisation Website: http://www.bbk.ac.uk/