研究課題/領域番号 |
26800221
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研究機関 | 山形大学 |
研究代表者 |
SUKUMARAN S.K. 山形大学, 理工学研究科, 准教授 (70598177)
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研究期間 (年度) |
2014-04-01 – 2017-03-31
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キーワード | Entanglements / Polymer Blends / Polymer Melts / Polymer Solutions / Polymer Dynamics |
研究実績の概要 |
Topological Analysis by length minimization on stiff/flexible blends at different blending ratios and two different combinations of chain stiffness values indicated that that the tube diameters of both the stiff and the flexible chains calculated from the primitive path configurations were almost equal to each other. To connect the entanglement physics of binary blends to single component melts, we have extended the entanglement models for melts of binary blends. The models shed light on the reason for a single tube diameter in blends and the results were in general agreement with the mixing rules obtained from two of the entanglement models. However, strong discrepancy exists between the results of the simulations and experimental data. The origin of the discrepancy is currently unclear.
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現在までの達成度 (区分) |
現在までの達成度 (区分)
3: やや遅れている
理由
Several blends of flexible and stiff chains (N=200, different stiffness combinations) have already been investigated. To eliminate artifacts due to finite size effects, similar blends for N=300 are currently being studied. As the longest relaxation time of the N=300 blends are significantly longer than that of the N=200 blends, equilibration is time consuming.
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今後の研究の推進方策 |
We will continue to prepare well-equilibriated configurations of the blends of chains of different stiffness values for various molecular weights of the chains, perform topological analysis on the blend configurations that have been prepared, calculate the linear rheology of the well-equilibriated binary blends using the simulations and develop theoretical models to elucidate the nature of entanglements in binary blends.
As mentioned earlier, there is significant discrepancy between the results of rheological experiments and the results of simulations. In order to understand the discrepancy with the experimental results, we are also currently attempting to study blends with the same number of beads and same stiffness values but different monomer sizes. We plan to first equilibrate the configurations and then perform topological analysis on the equilibrated configurations. The results will be compared to the extended models and mixing rules derived earlier.
The simulations mentioned above are significantly more challenging than the simulations performed earlier. However, if successful, these simulations are likely to shed light on the discrepancy between experimental results and simulation results mentioned earlier. Such insight into the entanglement physics in blends especially with reference to experimental systems is unlikely to be obtained by other means.
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次年度使用額が生じた理由 |
In the first year, the equipment cost was higher than anticipated. To be on the safer side, I curtailed my personnel expenditure and travel costs. Therefore, I used part of the travel costs in the second year and hope to use the remaining amount in the next few months.
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次年度使用額の使用計画 |
Travel Expense, Miscellaneous (mainly, publication costs)
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