Polymer crystallization and molecular recognition; First principle design based on universality and specificity
| Project/Area Number |
24550257
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Polymer/Textile materials
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| Research Institution | Yamaguchi University |
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Principal Investigator |
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| Co-Investigator(Renkei-kenkyūsha) |
Urakami Naohito 山口大学, 理工学研究科, 准教授 (50314795)
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| Project Period (FY) |
2012-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2014: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Keywords | 結晶性高分子 / 結晶化 / らせん高分子 / 分子動力学シミュレーション / 流動 / 変形 / 配向結晶化 / 高分子結晶化 / 分子シミュレーション / 標準理論 / 個性的振る舞い / 螺旋高分子 / 流動結晶化 / 高分子結晶化の標準モデル / らせん高分子の結晶化 / 結晶化における分子認識 / 流動場での結晶化と繊維形成 / 高分子結晶の大変形の分子機構 / 高分子のトポロジーと結晶化機構 |
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| Outline of Final Research Achievements |
Aiming at the development of first-principle method to design high functional materials of crystalline polymers, we made molecular dynamics investigations on both the universal and the specific aspects of polymer crystallization. In order to study the universal aspects of polymer crystallization, we made use of the polyethylene-like polymer and investigated its crystallization from the quiescent melt state. We revealed various interesting characteristics of polymer crystallization that are considered universal in all linear polymers. We also studied the specific modes of crystallization in helical polymers, especially in isotatctic polypropylene, with special concern on the molecular mechanism of helix recognition. The molecular dynamics method was also shown to be of great potential in studying the effect of flow-fields or solid-substrates on polymer crystallization.
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Report
(5 results)
Research Products
(34 results)
