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 National Science
Foundation Award #0348302 |
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CAREER:Theoretical Modeling of Head-to-Tail Reversibly Associated Polymers in Solution and at Surfaces |
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| Investigator(s): |
Elena Dormidontova (PI)
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| Sponsor: |
Case Western Reserve University, OH 44106 2163684510
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| Start Date/Expiration Date |
2004-04-01 to 2006-03-31 (amended 2005-07-12) |
| Awarded Amount to Date: |
$398,750 |
| Abstract: Elena Dormidontova of Case Western Reserve University is modeling head-to-tail reversibly associated polymers using Monte Carlo simulations of end-functionalized polymers. The degree of association, chain-ring equilibrium, solution viscosity and other properties are studied in these simulations. Atomistic molecular dynamics calculations are also being carried out to investigate hydrogen bonding and coordination association. The simulation results will be combined with classic brush theory to devlop an analytic theory of reversibly associated polymers.
In addition to the broader impacts of this work expected in polymer and macromolecular science, Prof. Dormidontova is also developing a specialty graduate course on the topic of this research, aimed at students in macromolecular and biomedical engineering as well as organic and physical chemistry students. In addition, the PI is participating in Case Wester Reserve's center for Science and Mathematics Education which provides summer research opportunities for middle and high school teachers. |
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| NSF Org: |
CHE - Division of Chemistry |
| Award Number: |
0348302 |
| Award Instrument: |
Continuing grant |
| Program Manager: |
Raima M. Larter
CHE Division of Chemistry
MPS Directorate for Mathematical & Physical Sciences
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| NSF Program(s): |
CONDENSED MATTER & MAT THEORY, STATISTICAL AND SIMULATIONS |
| Field Application(s): |
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| Program Reference Code(s): |
FACULTY EARLY CAREER DEVELOPMENT PROGRAM, 1045
NANO NON-SOLIC SCI & ENG AWD, 7237
NANO SCI AND ENG - MPS CORE AW, 1682
UNASSIGNED, 0000 |
| Program Element Code(s): |
1765
STATISTICAL AND SIMULATIONS, 1956 |
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