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

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Título:

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

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Autores:

Jiménez-Ángeles, Felipe¹ fangeles@imp.mx
Odriozola, Gerardo¹ godriozo@imp.mx
Lozada-Cassou, Marcelo¹ marcelo@imp.mx

Fuente:

Journal of Chemical Physics; 4/7/2006, Vol. 124 Issue 13, p134902, 18p, 1 chart, 1 diagram, 10 graphs

Tipo de documento:

Article

Descriptores:

*ELECTROLYTES
*APPROXIMATION theory
*MONTE Carlo method
*ELECTROSTATICS
*ENTROPY

Resumen:

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, F_T, 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 F_T is carried out in terms of the electrostatic and entropic (depletion) contributions, F_E and F_C. 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. [ABSTRACT FROM AUTHOR]

 

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Afiliaciones del autor:

¹Programa de Ingeniería Molecular, Instituto Mexicano del Petróleo, Lázaro Cárdenas 152, 07730 México, Distrito Federal, México

ISSN:

00219606

DOI:

10.1063/1.2178320

Número de acceso:

20468389

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