Integral equation theory approach to rodlike polyelectrolytes: Counterion condensation

Citation
T. Hofmann et al., Integral equation theory approach to rodlike polyelectrolytes: Counterion condensation, J CHEM PHYS, 114(22), 2001, pp. 10181-10188
Citations number
64
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
0021-9606 → ACNP
Volume
114
Issue
22
Year of publication
2001
Pages
10181 - 10188
Database
ISI
SICI code
0021-9606(20010608)114:22<10181:IETATR>2.0.ZU;2-P
Abstract
We investigate the structural properties of rigid linear polyelectrolytes i n dilute and semidilute solutions using an integral equation theory. The Po lymer Reference Interaction Site Model together with the Reference Laria Wu Chandler Closure is solved numerically taking the counterions into account explicitly. The counterions and the polymer chains, modeled as linearly co nnected, charged hard spheres, interact through an unscreened Coulomb poten tial. The pair correlation functions between the monomers of different chai ns, the counterions, and the monomers and counterions, respectively, are ca lculated for various densities and Bjerrum lengths. Based upon these quanti ties, the effective potential among the monomers and the counterions, respe ctively, is extracted. In particular, a critical Bjerrum length is determin ed, which separates the regime of a repulsive interaction between the count erions from the regime of an attractive interaction transmitted by the poly mer chains. (C) 2001 American Institute of Physics.