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	Conformation of polyelectrolytes in poor solvents: Variational approach and quantitative comparison with scaling predictions
	Tang, Haozhe ; Liao, Qi ; Zhang, Pingwen
	2014
关键词	MOLECULAR-DYNAMICS SIMULATIONS NECKLACE FORMATION HYDROPHOBIC POLYELECTROLYTES DEFORMATION ENERGY CHARGED DROP CHAINS TRANSITIONS BEHAVIOR CASCADE
英文摘要	We present the results of variational calculations of a polyelectrolyte solution with low salt in poor solvent conditions for a polymer backbone. By employing the variation method, we quantitatively determined the diagram of the state of the polyelectrolyte in poor solvents as a function of the charge density and the molecular weight. The exact structure and diagram of the polyelectrolyte were compared to the scaling predictions of the necklace model developed by Dobrynin and Rubinstein [Prog. Polym. Sci. 30, 1049-1118 (2005); Macromolecules 32, 915-922 (1999); 34, 1964-1972 (2001)]. We find that the scaling necklace model may be used as a rather good estimation and analytical approximation of the exact variational model. It is also pointed out that the molecular connection of polymer is crucial for ellipsoid and necklace conformation. (C) 2014 AIP Publishing LLC.; Physics, Atomic, Molecular & Chemical; SCI(E); EI; PubMed; 0; ARTICLE; qiliao@iccas.ac.cn; pzhang@pku.edu.cn; 19; 194905; 140
语种	英语
出处	EI ; PubMed ; SCI
出版者	journal of chemical physics
内容类型	其他
源URL	[http://hdl.handle.net/20.500.11897/157229]
专题	数学科学学院 工学院
推荐引用方式 GB/T 7714	Tang, Haozhe,Liao, Qi,Zhang, Pingwen. Conformation of polyelectrolytes in poor solvents: Variational approach and quantitative comparison with scaling predictions. 2014-01-01.

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