| EPSRC Reference: |
GR/L08427/01 |
| Title: |
LIQUIDS: SOLVATION AND SURFACES |
| Principal Investigator: |
Lynden Bell, Professor R |
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| Department: |
Sch of Mathematics and Physics |
| Organisation: |
Queen's University of Belfast |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 April 1997 |
Ends: |
31 March 2000 |
Value (£): |
46,918
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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We shall use atomistic simulation to investigate properties of liquids and solutions including aspects of hydrophilic and hydrophobic solvation. Ab initio and classical molecular dynamics calculations will be compared and Landau free energy functions will be used to quantify and understand the effects of changes in the electron charge distribution of water and solute molecules; the effects of solvation on the molecular structure of phosphorylated amino acids near bone; the free energy profiles of small molecules entering free surfactant and supported aqueous films. The surface structure of liquid hydrocarbons will be studied.
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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.qub.ac.uk |