| EPSRC Reference: |
GR/M59563/01 |
| Title: |
MONTE CARLO SIMULATIONS OF ELECTROLYTES AND INTERFACES IN NON-EUCLIDEAN GEOMETRICS |
| Principal Investigator: |
van der Noot, Dr T |
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| Department: |
chemistry |
| Organisation: |
Queen Mary University of London |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 1999 |
Ends: |
30 September 2002 |
Value (£): |
66,801
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| EPSRC Research Topic Classifications: |
| Electrochemical Science & Eng. |
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| EPSRC Industrial Sector Classifications: |
| Chemicals |
No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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This project seeks to develop and validate the use of non-Euclidean geometries in the simulation of electrolytic systems which possess long range electrostatic interactions. To address the issue of whether or not the dimensionality and/or curvature have any effect upon the results, we will simulate hard sphere Lennard-Jones particles and compare these results with conventional 3D cubic simulation results. This will indicated the mapping between 3D cubic and 3D non-Euclidean spaces. In the next stage, electrolyte solutions will be simulated with particular attention focused upon asymmetric electrolytes (charge and/or radii). These results will be compared with the results from conventional 3D cubic simulations and experimental data. In the final stage, we will simulate the interface between two immiscible electrolyte solutions. This will establish whether the electrical double layers on either side of the interface are correlated as we would expect from the fact that electrostatic interactions are long rage. These results will be compared with extensive interfacial data (Profs. Schiffrin & Silva).
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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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