| EPSRC Reference: |
GR/L59481/01 |
| Title: |
ROPA: BRIDGING LENGTH TIME SCALES IN POLYMER MODELLING APPLICATION TO CRYSTAL NUCLEATION IN LIQUID ALKANES |
| Principal Investigator: |
Clarke, Professor J |
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| Department: |
Chemistry |
| Organisation: |
UMIST |
| Scheme: |
ROPA |
| Starts: |
03 March 1998 |
Ends: |
02 January 2000 |
Value (£): |
84,570
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Summary on Grant Application Form |
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The aim of this project is accurate coarse-grain modelling of polymers and alkanes in the melt and glassy state. The new feature of this work will be to develop schemes for the accurate and interchangeable mapping between atomistic level simulations and models with a length scale of the characteristic persistence length. This new method will be used to enhance an atomistic molecular dynamics investigation of heterogeneous crystal nucleation in alkane melts containing single long polymer molecules.
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Key Findings |
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Potential use in non-academic contexts |
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Impacts |
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| Description |
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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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