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Molecular Dynamics Simulation of Micellar Shape Transition in Amphiphilic Solutions
http://hdl.handle.net/10655/00013393
http://hdl.handle.net/10655/00013393de4fa9c5-82ab-40db-9fe9-373111f4cccd
名前 / ファイル | ライセンス | アクション |
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10478_PFR (607.5 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2022-07-14 | |||||
タイトル | ||||||
タイトル | Molecular Dynamics Simulation of Micellar Shape Transition in Amphiphilic Solutions | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | molecular dynamics simulation | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | micellar shape transition | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | amphiphilic solution | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | hydrophilic interaction | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | dynamic coexistence | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
著者 |
FUJIWARA, Susumu
× FUJIWARA, Susumu× HASHIMOTO, Masato× TAMURA, Yuichi× NAKAMURA, Hiroaki× HORIUCHI, Ritoku |
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著者ID | ||||||
内容記述タイプ | Other | |||||
内容記述 | 0000-0002-2338-1745 | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The micellar shape transition in amphiphilic solutions is studied by coarse-grained molecular dynamics simulations of rigid amphiphilic molecules with explicit solvent molecules. Our simulations show that the dominant micellar shape changes from disc to cylinder, and then to sphere as the hydrophilic interaction increases. We find that, as the hydrophilic interaction increases, the potential energy decreases monotonically even during the micellar shape transition, whereas the slope of the potential energy decreases in a stepwise manner in relation to the micellar shape transition. We also ascertained that there exists a wide coexistence region in the intensity of the hydrophilic interaction between a cylinder and a sphere, whereas the coexistence region between a cylinder and a disc is very narrow. | |||||
書誌情報 |
Plasma and Fusion Research 巻 9, 号 Special Issue 2, p. 3401067, 発行日 2014-06-10 |
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書誌的事項 | ||||||
the 23rd International Toki Conference on Large-scale Simulation and Fusion Science | ||||||
出版者 | ||||||
出版者 | The Japan Society of Plasma Science and Nuclear Fusion Research | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1880-6821 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA12346675 | |||||
DOI | ||||||
関連タイプ | isIdenticalTo | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1585/pfr.9.3401067 | |||||
権利 | ||||||
権利情報 | (c) 2014 The Japan Society of Plasma Science and Nuclear Fusion Research | |||||
関連サイト | ||||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1585/pfr.9.3401067 | |||||
関連名称 | Publisher version | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
NAIS | ||||||
10478 |