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Molecular Dynamics of Strongly-Coupled Multichain Coulomb Polymers in Pure and Salt Aqueous Solutions
http://hdl.handle.net/10655/2940
http://hdl.handle.net/10655/294032971aa9-f642-4931-a0ac-c417c0b9a4c2
Item type | 研究報告書 / Research Paper(1) | |||||
---|---|---|---|---|---|---|
公開日 | 2010-02-05 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Molecular Dynamics of Strongly-Coupled Multichain Coulomb Polymers in Pure and Salt Aqueous Solutions | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | molecular dynamics | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | polyampholyte | |||||
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 | strongly-coupled system | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | glass transition | |||||
キーワード | ||||||
言語 | en | |||||
主題Scheme | Other | |||||
主題 | salt electrolyte solution | |||||
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." |
|||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | "The multichain effect and also the effect of added salt on randomly co-polymerized charged polymers (polyampholytes) in a Langevin fluid are studied with the use of molecular dynamics simulations. The monomers of opposite signs tend to form loose complexes, which makes the Coulomb force attractive on average. With multichain polyampholytes, the typical state at high temperature is a container-bound one-phase state of separated chains with a substantial void among them. The association and dissociation processes occur repeatedly, with the former process a few times faster than the latter. A glass transition occurs when temperature is lowered. A compact and glassy globule in a segregated phase, which resembles that of a single-chain polyarnpholyte, is a typical state at low temperature due to the Coulomb force. The probability of losing that state is as low as P_dis. ~ exp(-N^3/2), with N the number of monomers. The critical temperature defined by overlapping of the chains increases with molecular weight and stiffness of the chains, and is less sensitive to the number of the chains. An alternate charge sequence makes a difference only when its block size is quite small. The addition of salt suppresses the formation of a dense globule by shielding the electric field; however, this is not effective when the salt ions are not allowed to penetrate well into the globule." | |||||
書誌情報 |
en : Research Report NIFS-Series 発行日 1998-11-01 |
|||||
報告書番号 | ||||||
NIFS-579 | ||||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0915-633X |