| EPSRC Reference: |
GR/M29672/01 |
| Title: |
LIQUID CRYSTALLINE PROPERTIES VIA A HIGH LEVEL VIRIAL EXPANSION |
| Principal Investigator: |
Masters, Professor AJ |
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| Department: |
Chemistry |
| Organisation: |
Victoria University of Manchester, The |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 June 1999 |
Ends: |
31 May 2002 |
Value (£): |
105,979
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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A successful liquid-state perturbation theory requires the equation of state of a reference system and an essential ingredient for forming this is a good knowledge of the virial coefficients. In the nematic phase, only three virial coefficients are known for hard speroids, and just two for other hard body references. This is far from enough to make reliable predictions. To date the applicant is in a position to calculate the first five virials and the proposed research is to extend the research to eight. The labour involved in writing computer programs to perform these calculations is high, but once written, the programs run relatively quickly and can be applied to many systems. As the programs will be released to the academic community, one hopes that in the future the calculation of virials will be fairly routine. With these programs we will accurately calculate the properties (i.e. equation of state, order parameter, elastic constants) of hard spheroids and hard spherocylinders, and, in the latter case, locate the limit of stability to smectic ordering. We will also treat cut-spheres, hunting for the cubatic phase, and also the rod-disc mixture which exhibits a biaxial nematic phase. We will also investigate systems with attractive forces.
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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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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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