Electrolyte distribution around two like-charged rods: Their effective attractive interaction and angular dependent charge reversal

Felipe Jimánez-Ángeles*, Gerardo Odriozola, Marcelo Lozada-Cassou

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

A simple model for two like-charged parallel rods immersed in an electrolyte solution is considered. We derived the three point extension (TPE) of the hypernetted chain/mean spherical approximation (TPE-HNC/MSA) and Poisson-Boltzmann (TPE-PB) integral equations. We numerically solve these equations and compare them to our results of Monte Carlo (MC) simulations. The effective interaction force, FT, the charge distribution profiles, ρ el (x,y), and the angular dependent integrated charge function, P (θ), are calculated for this system. The analysis of FT is carried out in terms of the electrostatic and entropic (depletion) contributions, FE and FC. We studied several cases of monovalent and divalent electrolytes, for which the ionic size and concentration are varied. We find good qualitative agreement between TPE-HNC/MSA and MC in all the cases studied. The rod-rod force is found to be attractive when immersed in large size, monovalent or divalent electrolytes. In general, the TPE-PB has poor agreement with the MC. For large monovalent and divalent electrolytes, we find angular dependent charge reversal charge inversion and polarizability. We discuss the intimate relationship between this angular dependent charge reversal and rod-rod attraction.

Original languageEnglish (US)
Article number134902
JournalJournal of Chemical Physics
Volume124
Issue number13
DOIs
StatePublished - Apr 7 2006
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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