| EPSRC Reference: |
GR/M85340/01 |
| Title: |
EQUILIBRIUM AND TRANSPORT PROPERTIES OF ADSORBED AND NON-ADSORBED MOLECULES IN MICROPORES |
| Principal Investigator: |
Nicholson, Dr D |
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| Department: |
Chemistry |
| Organisation: |
Imperial College London |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
18 February 2000 |
Ends: |
17 February 2002 |
Value (£): |
12,461
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Equilibrium partitioning and hindered transport of fluids confined within model microporous media of molecular dimensions will be investigated over a wide range of concentration and temperatures. Computer simulations via grand canonical ensemble Monte Carlo and molecular dynamics methods will be carried out to obtain the exact results for the thermodynamic, structural, and dynamic properties of both non-adsorbing and adsorbing systems. Model pores, with pore structures characteristic of many real porous materials of practical importance, will be used to study the influence of pore structure on these processes. The simulation results, in conjunction with theoretical approaches in statistical thermodynamics, will provide the basis for a discussion of non-continuum effects in size-exclusion partitioning. The results obtained will be used to develop a model for equilibrium and transport in micropores and this model will then be compared with experimental data available in the literature.
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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.imperial.ac.uk |