TY - JOUR
T1 - Electrolyte distribution around two like-charged rods
T2 - Their effective attractive interaction and angular dependent charge reversal
AU - Jimánez-Ángeles, Felipe
AU - Odriozola, Gerardo
AU - Lozada-Cassou, Marcelo
PY - 2006/4/7
Y1 - 2006/4/7
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=34547555109&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=34547555109&partnerID=8YFLogxK
U2 - 10.1063/1.2178320
DO - 10.1063/1.2178320
M3 - Article
C2 - 16613472
AN - SCOPUS:34547555109
SN - 0021-9606
VL - 124
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 13
M1 - 134902
ER -