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Title: Simulation of polyelectrolyte solutions. The density of bound ions
Authors: Sarraguça, J. M. G. 
Pais, A. A. C. C. 
Issue Date: 2004
Citation: Chemical Physics Letters. 398:1-3 (2004) 140-145
Abstract: We discuss a simple approach to describe the ion density around a polyelectrolyte chain, quantifying bound and bulk counterions, and allowing for the renormalization of the charge in the polyion. This approach is both physically motivated and readily extensible to systems containing other types of highly charged ions. The method addresses the problem in simulation experiments and allows to correlate ion condensation and compaction.
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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