| EPSRC Reference: |
GR/L79229/01 |
| Title: |
COMPUTATIONAL INVESTIGATION OF HYPERBRANCHED POLYMERS BY STOCHASTIC MOLECULAR MODELLING |
| Principal Investigator: |
Adolf, Dr D |
| Other Investigators: |
|
| Researcher Co-Investigators: |
|
| Project Partners: |
|
| Department: |
Physics and Astronomy |
| Organisation: |
University of Leeds |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
18 May 1998 |
Ends: |
17 May 2000 |
Value (£): |
68,943
|
| EPSRC Research Topic Classifications: |
| Materials Characterisation |
|
|
| EPSRC Industrial Sector Classifications: |
|
| Related Grants: |
|
| Panel History: |
|
|
Summary on Grant Application Form |
|
This application outlines a computational programme aimed at the stochastic modelling of hyperbranched polymers in solution. In contrast to completely branded dendritic macromolecules, hyperbranded polymers possess unreacted branching points giving rise to a structure with a mixture of branched and linear topologies. Dendrimer macromolecules possess regularly branded, treelike structures and illustrate a maximum in their intrinsic viscosity versus molecular weight plots earmarking them as possible commercial solution viscosity modifiers. However, the synthesis of dendrimers has not proven to be cost effective on commercial scales and hyperbranched materials may be a possible alternative. Computer algorithms will be produced based on Monte Carlo and Langevin dynamics to generate reasonable hyperbranched structures and to simulate their rheological properties of hyprtbranched materials based on an input size (i.e. number of layers), an input of functionality of the branching point, an input number of bonds between branching points, an input branching ratio to cover the spectrum from linear molecules to dendrimers, an input solvent quality and an input level of hydrodynamic interaction.
|
|
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.leeds.ac.uk |