2013 Fiscal Year Final Research Report
Density functional theories on self-assembling polymer/surfactant systems
| Project/Area Number |
23340120
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Biophysics/Chemical physics
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| Research Institution | Tohoku University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
MURASHIMA Takahiro 東北大学, 大学院・理学研究科, 助教 (50565520)
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| Project Period (FY) |
2011-04-01 – 2014-03-31
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| Keywords | ハイブリッドモデル / マルチスケールモデル / 自己無撞着場理論 |
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| Research Abstract |
To study mesoscopic dynamics of polymer/surfactant systems, we developed hybrid methods where field theories and molecular models are combined.
1) Using a hybrid method of self-consistent field and molecular dynamics simulation, we simulated membrane structures. 2) A combination of self-consistent field theory and phase field theory was applied to deformations of membranes that contain polymers and flow behavior of these membranes. 3) Worm-like micellar systems were simulated using a newly-developed coarse-grained particle model with hydrodynamic equation for the solvent. This model was further combined with a macroscopic flow simulator that can simulate inhomogeneous flows.
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