2013 Fiscal Year Final Research Report
Topological Constraint in Ring Polymers Studied by Monte Carlo Simulation
| Project/Area Number |
22740281
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Biophysics/Chemical physics
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| Research Institution | High Energy Accelerator Research Organization |
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Principal Investigator |
SUZUKI Jiro 大学共同利用機関法人高エネルギー加速器研究機構, 共通基盤研究施設 計算科学センター, 研究機関講師 (40415047)
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| Project Period (FY) |
2010-04-01 – 2014-03-31
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| Keywords | 環状高分子 / シミュレーション / バルク / 希薄溶液 / 拡がり |
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| Research Abstract |
I studied equilibrium conformations of ring polymers at their theta-conditions using a Monte-Carlo simulation. The Flory's critical exponents, nu, were obtained from the dependence of the radius of gyration, Rg, on the segment number of the polymers, N. At the theta-temperature the excluded volumes of linear polymers are screened completely by the attractive force between segments, where the nu value is 1/2 and the trajectories of the chains can be described as a random walk. If the nu value for ring polymers is not 1/2 at the theta-temperature for linear polymers, the chain conformations of ring polymers are not described as a closed random walk. I reported that the theta-temperature for trivial-, 3_1 and 5_1 ring polymers are lower than that for linear polymers. I also suggested a new simulation algorithm, where polymer chains were placed on a face-centered cubic lattice and can move not only with the local motion but also with the trans-location in the algorithm.
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