Flexible polyelectrolyte in ionic solution: A Monte Carlo study
作者： John P. Valleau
DOI: 10.1016/0301-0104(89)80001-1
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摘要: Abstract Monte Carlo techniques are used to study a simple model of flexible polyion immersed in primitive-model aqueous electrolyte at various concentrations. Although only short has been accessible, some interesting results obtainable. In particular, the charge distribution around charges on is totally unlike that implicit current theories polyelectrolyte conformational behaviour. The conformations studied, as also those chains involving screened-Coulomb interactions.
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Håkan Wennerström, Bo Jönsson, Per Linse, The cell model for polyelectrolyte systems. Exact statistical mechanical relations, Monte Carlo simulations, and the Poisson–Boltzmann approximation Journal of Chemical Physics. ,vol. 76, pp. 4665- 4670 ,(1982) , 10.1063/1.443547
M. Gueron, G. Weisbuch, Polyelectrolyte theory. 2. Activity coefficients in Poisson-Boltzmann and in condensation theory. The polarizability of the counterion sheath The Journal of Physical Chemistry. ,vol. 83, pp. 1991- 1998 ,(1979) , 10.1021/J100478A013
V. Vlachy, D. A. McQuarrie, A theory of cylindrical polyelectrolyte solutions Journal of Chemical Physics. ,vol. 83, pp. 1927- 1932 ,(1985) , 10.1063/1.449329
Marc Le Bret, Bruno H. Zimm, Distribution of counterions around a cylindrical polyelectrolyte and manning's condensation theory Biopolymers. ,vol. 23, pp. 287- 312 ,(1984) , 10.1002/BIP.360230209
D.J. Adams, Grand canonical ensemble Monte Carlo for a Lennard-Jones fluid Molecular Physics. ,vol. 29, pp. 307- 311 ,(1975) , 10.1080/00268977500100221
Frank E. Harris, Stuart A. Rice, Chain Model for Polyelectrolytes. IV. Skeletal Distribution Effects in Equimolar Polyampholytes The Journal of Chemical Physics. ,vol. 24, pp. 336- 344 ,(1956) , 10.1063/1.1742472
D. N. Card, J. P. Valleau, Monte Carlo Study of the Thermodynamics of Electrolyte Solutions The Journal of Chemical Physics. ,vol. 52, pp. 6232- 6240 ,(1970) , 10.1063/1.1672932
Peter H. Verdier, W. H. Stockmayer, Monte Carlo Calculations on the Dynamics of Polymers in Dilute Solution Journal of Chemical Physics. ,vol. 36, pp. 227- 235 ,(1962) , 10.1063/1.1732301
A. L. Kholodenko, Karl F. Freed, Renormalization group treatment of excluded volume effects in a polyelectrolyte chain in the weak electrostatic coupling limit Journal of Chemical Physics. ,vol. 78, pp. 7412- 7428 ,(1983) , 10.1063/1.444732
Marshall Fixman, The Poisson–Boltzmann equation and its application to polyelectrolytes Journal of Chemical Physics. ,vol. 70, pp. 4995- 5005 ,(1979) , 10.1063/1.437340