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Monte Carlo simulations of the electrical double layer forces in the presence of divalent electrolyte solutions: Effect of the ion size
type: Article
freetext keyword: Divalent counterions; Electrical double layers; Electrokinetic; Electrolyte solutions; Force-distance profiles; Hydrated ions; Ion size; Ionic diameter; Macroions; Mean forces; Monte Carlo Simulation; Primitive model; Scientific literature; Trivalent ion; Electric properties; Electrolytes; Ionic strength; Monte Carlo methods; Computer simulation
estado: published
type: Generically Dependent Continuant
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doi: 10.1039/c0sm00609b
type: Entity
has publication venue: Soft Matter
page end: 1449
type: Document
type: Information Content Entity
page start: 1441
related by: authorship_48342
most specific type: Document
crisid: 7589
EI dscopus: 2-s2.0-79951471262
origen: scopus
type: Conference Paper
issue: 4
related by: authorship_48341
abstract: In this paper, the effect of ion size on the mean forces between two charged plates in the presence of divalent counterions is analyzed with the help of Monte Carlo simulations in the framework of the primitive model. Inspired by a preliminary work in which a particular and isolated case was presented, we propose a more systematic survey considering both like and oppositely charged plates, different surface charge densities (with magnitudes ranging from 0.01 to 0.2 C m-2) and two very different ionic strengths (0.5 and 500 mM). The effect of ion size is probed comparing systematically results for the most commonly used ionic diameter (0.425 nm) and greater values reported in the scientific literature for hydrated ions. These greater values were previously and successfully employed in other areas (e.g., electrokinetic behaviour in the presence of divalent and trivalent ions). Our simulations show that force-distance profiles strongly depend on the ion size. Consequently, some of the 'classical' findings obtained from simulations must be carefully reconsidered. In particular, the widely known and reported attraction between like-charged plates (or macroions) becomes repulsion with increasing ion size. © 2011 The Royal Society of Chemistry.
related by: authorship_48339
most specific type: Conference Paper
related by: authorship_48340
related by: authorship_48343
date time value: conference paper date 7589
volume: 7
abstract: In this paper, the effect of ion size on the mean forces between two charged plates in the presence of divalent counterions is analyzed with the help of Monte Carlo simulations in the framework of the primitive model. Inspired by a preliminary work in which a particular and isolated case was presented, we propose a more systematic survey considering both like and oppositely charged plates, different surface charge densities (with magnitudes ranging from 0.01 to 0.2 C m-2) and two very different ionic strengths (0.5 and 500 mM). The effect of ion size is probed comparing systematically results for the most commonly used ionic diameter (0.425 nm) and greater values reported in the scientific literature for hydrated ions. These greater values were previously and successfully employed in other areas (e.g., electrokinetic behaviour in the presence of divalent and trivalent ions). Our simulations show that force-distance profiles strongly depend on the ion size. Consequently, some of the %27classical%27 findings obtained from simulations must be carefully reconsidered. In particular, the widely known and reported attraction between like-charged plates (or macroions) becomes repulsion with increasing ion size. © 2011 The Royal Society of Chemistry.

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date: 2026-08-24T04:45:52
publisher: vivo
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label: RDF description of Monte Carlo simulations of the electrical double layer forces in the presence of divalent electrolyte solutions: Effect of the ion size - http://orbis.uaslp.mx/vivo/individual/scopus7588

Article
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Soft Matter
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publication venue for: Monte Carlo simulations of the electrical double layer forces in the presence of divalent electrolyte solutions: Effect of the ion size
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Conference Paper
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