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Condensation and Swelling Behavior of Randomly Charged Multichain Polymers by Molecular Dynamics Simulations
http://hdl.handle.net/10655/2596
http://hdl.handle.net/10655/25964941e419-187f-4ca4-b147-2cc3d589c0e0
| Item type | 研究報告書 / Research Paper(1) | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2010-02-05 | |||||||||||
| タイトル | ||||||||||||
| タイトル | Condensation and Swelling Behavior of Randomly Charged Multichain Polymers by Molecular Dynamics Simulations | |||||||||||
| 言語 | en | |||||||||||
| 言語 | ||||||||||||
| 言語 | eng | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | condensation | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | reptation | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | Coulombic crystal | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | hysteresis | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | multichain | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | reentrant volumetric change | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | salt and temperature effects | |||||||||||
| キーワード | ||||||||||||
| 言語 | en | |||||||||||
| 主題Scheme | Other | |||||||||||
| 主題 | molecular dynamics. | |||||||||||
| 資源タイプ | ||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_18ws | |||||||||||
| 資源タイプ | research report | |||||||||||
| アクセス権 | ||||||||||||
| アクセス権 | metadata only access | |||||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||||||||
| 著者 |
"Tanaka, M.
× "Tanaka, M.
× Grosberg, A. Yu
× Tanaka, T."
|
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| 抄録 | ||||||||||||
| 内容記述タイプ | Abstract | |||||||||||
| 内容記述 | "The behavior of polyampholytes over a wide range of temperatures is studied with the use of molecular dynamics simulations. It has been found that biased fluctuations of charge density due to aggregation of oppositely charged monomers causes the Coulombic interactions more attractive than repulsive for a globally near-neutral polyampholyte. Such a polyampholyte collapses to a globule, in which the polymer chains inter-penetrate with each other and reptate through the whole globule. It further condenses to an NaCl-like cubic crystal for widely extensible chains, but crystallization is suppressed for finite extensible chains. Hysteresis in the volume-temperature diagram is prominent for multichain polyampholytes, which is absent for individual chains. Multichain effects always dominate over the single-chain effects in swelling processes of polyampholytes. A non-neutral polyampholyte still forms a globule if the amount of charge offset is less than {1/2}N^{1/2} (N: the number of charged monomers) at low temperatures. Otherwise, it consists of scattered chains and is swollen. At high temperatures, it shrinks to the thermal state where the Coulomb force plays little role. A polyampholyte with slight charge offset has a non-monotonic (re-entrant) phase boundary with temperature. These results in the temperature domain are in good agreement with polyampholyte experiments with variable salt concentrations." | |||||||||||
| 書誌情報 |
en : Research Report NIFS-Series 発行日 1999-12-01 |
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| 報告書番号 | ||||||||||||
| NIFS-616 | ||||||||||||
| ISSN | ||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||
| 収録物識別子 | 0915-633X | |||||||||||
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"Tanaka, M., Grosberg, A. Yu, Tanaka, T.", 1999, Condensation and Swelling Behavior of Randomly Charged Multichain Polymers by Molecular Dynamics Simulations.
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