| EPSRC Reference: |
GR/M72401/01 |
| Title: |
SIMULATION OF ROOM TEMPERATURE IONIC LIQUIDS |
| Principal Investigator: |
Lynden Bell, Professor R |
| Other Investigators: |
|
| Researcher Co-Investigators: |
|
| Project Partners: |
|
| Department: |
Sch of Mathematics and Physics |
| Organisation: |
Queen's University of Belfast |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 1999 |
Ends: |
30 September 2002 |
Value (£): |
51,105
|
| EPSRC Research Topic Classifications: |
|
| EPSRC Industrial Sector Classifications: |
| Chemicals |
Environment |
| No relevance to Underpinning Sectors |
|
|
| Related Grants: |
|
| Panel History: |
|
|
Summary on Grant Application Form |
|
Room temperature ionic liquids can be made from complex organic cations such as substituted imidazolium salts and comparatively simple anions such as boron tetrafluoride. They are potentially important clean solvents and catalysts. The programme is to simulate the neat liquids and solutions using molecular dynamics. Classical intermolecular potentials will be developed and tested. Among the properties of neat liquids to be examined are the dynamics and structure where contact will be made with experiment. The thermodynamic and microscopic aspects of solvation will be examined using both standard simulation and free energy calculations.
|
|
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.qub.ac.uk |