A simulational and theoretical study of the spherical electrical double layer for a size-asymmetric electrolyte: the case of big coions

Details A simulational and theoretical study of the spherical electrical double layer for a size-asymmetric electrolyte: the case of big coions A simulational and theoretical study of the spherical electrical double layer for a size-asymmetric electrolyte: the case of big coions

2009-04-13

arxiv.org/abs/0904.1899v1

Physics

Condensed Matter

Soft Condensed Matter

11 pages, 7 figures

Scientific paper

Monte Carlo simulations of a spherical macroion, surrounded by a size-asymmetric electrolyte in the primitive model, were performed. We considered 1:1 and 2:2 salts with a size ratio of 2 (i.e., with coions twice the size of counterions), for several surface charge densities of the macrosphere. The radial distribution functions, electrostatic potential at the Helmholtz surfaces, and integrated charge are reported. We compare these simulational data with original results obtained from the Ornstein-Zernike integral equation, supplemented by the hypernetted chain/hypernetted chain (HNC/HNC) and hypernetted chain/mean spherical approximation (HNC/MSA) closures, and with the corresponding calculations using the modified Gouy-Chapman and unequal-radius modified Gouy-Chapman theories. The HNC/HNC and HNC/MSA integral equations formalisms show good concordance with Monte Carlo "experiments", whereas the notable limitations of point-ion approaches are evidenced. Most importantly, the simulations confirm our previous theoretical predictions of the non-dominance of the counterions in the size-asymmetric spherical electrical double layer [J. Chem. Phys. 123, 034703 (2005)], the appearance of anomalous curvatures at the outer Helmholtz plane and the enhancement of charge reversal and screening at high colloidal surface charge densities due to the ionic size asymmetry.

Affiliated with

Also associated with

No associations

Rating

A simulational and theoretical study of the spherical electrical double layer for a size-asymmetric electrolyte: the case of big coions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with A simulational and theoretical study of the spherical electrical double layer for a size-asymmetric electrolyte: the case of big coions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and A simulational and theoretical study of the spherical electrical double layer for a size-asymmetric electrolyte: the case of big coions will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-323916