Author(s):
Sarraguça, J. M. G. 
; Pais, A. A. C. C.
Date: 2004
Persistent ID: http://hdl.handle.net/10316/5121
Origin: Estudo Geral - Universidade de Coimbra
Document details
Simulation of polyelectrolyte solutions. The density of bound ions
Description
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. http://www.sciencedirect.com/science/article/B6TFN-4DGDCY6-9/1/14f30c4cf6f0da32c52c85dc2c188972
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. http://www.sciencedirect.com/science/article/B6TFN-4DGDCY6-9/1/14f30c4cf6f0da32c52c85dc2c188972
Document Type
Article
Language English
Language English
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