Image charges in spherical geometry: Application to colloidal systems

Messina, René

doi:10.1063/1.1521935

Cited by 135 publications

(156 citation statements)

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“…Indeed for multivalent ions, a strong self-image repulsion occurs and leads to a shifted density-profile n + (z) with a maximum located somewhat further than the contact region [13,14]. However for PE multilayering, due to the presence of oppositely charged PEs the effect of image forces is considerably reduced (especially sufficiently away from the wall) due to the (self-)screening of the image charges.…”

Section: Discussionmentioning

confidence: 99%

“…Periodic conditions are applied in the (x, y) directions, whereas hard walls are present at z = 0 (location of the charged plate) and z = τ (location of an uncharged wall). To avoid the appearance of image charges [13,14], we assume that on both parts of the charged plate (at z = 0) the dielectric constants are the same. The total energy of interaction of the system can be written as…”

Section: Simulation Detailsmentioning

confidence: 99%

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Polyelectrolyte Multilayering on a Charged Planar Surface

Messina

2003

Macromolecules

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The adsorption of highly oppositely charged flexible polyelectrolytes (PEs) on a charged planar substrate is investigated by means of Monte Carlo (MC) simulations. We study in detail the equilibrium structure of the first few PE layers. The influence of the chain length and of a (extra) non-electrostatic short range attraction between the polycations and the negatively charged substrate is considered. We show that the stability as well as the microstructure of the PE layers are especially sensitive to the strength of this latter interaction. Qualitative agreement is reached with some recent experiments. * Electronic address: messina@thphy.uni-duesseldorf.deTypeset by REVT E X 1

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Section: Discussionmentioning

confidence: 99%

Section: Simulation Detailsmentioning

confidence: 99%

Polyelectrolyte Multilayering on a Charged Planar Surface

Messina

2003

Macromolecules

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“…Inclusion of the image effect in molecular dynamics simulations of molecules near a conducting or polarizable surface is still challenging in a variety of important systems including proteins 22 , polyelectrolytes 23 , and colloidal particles 24 . Moreover, the effects of applied electric field remain largely unexplored on the microscopic level, while the continuum electrostatics is well established 16,25 .…”

Section: Introductionmentioning

confidence: 99%

Applying electric field to charged and polar particles between metallic plates: Extension of the Ewald method

Takae

Ōnuki

2013

The Journal of Chemical Physics

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We develop an efficient Ewald method of molecular dynamics simulation for calculating the electrostatic interactions among charged and polar particles between parallel metallic plates, where we may apply an electric field with an arbitrary size. We use the fact that the potential from the surface charges is equivalent to the sum of those from image charges and dipoles located outside the cell. We present simulation results on boundary effects of charged and polar fluids, formation of ionic crystals, and formation of dipole chains, where the applied field and the image interaction are crucial. For polar fluids, we find a large deviation of the classical Lorentz-field relation between the local field and the applied field due to pair correlations along the applied field. As general aspects, we clarify the difference between the potential-fixed and the charge-fixed boundary conditions and examine the relationship between the discrete particle description and the continuum electrostatics.

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“…1 can be used to obtain the counterion density distributions using Monte Carlo (MC) as was shown in Ref. [13], and is a much faster alternative to simulations based on expansion in Legendre polynomials [16].…”

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confidence: 99%

“…[13], and is a much faster alternative to simulations based on expansion in Legendre polynomials [16].…”

mentioning

confidence: 99%

Weak and Strong Coupling Theories for Polarizable Colloids and Nanoparticles

2011

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A theory is presented which allows us to accurately calculate the density profile of monovalent and multivalent counterions in suspensions of polarizable colloids or nano-particles. In the case of monovalent ions, we derive a weak-coupling theory that explicitly accounts for the ion-image interaction, leading to a modified Poisson-Boltzmann equation. For suspensions with multivalent counterions, a strong-coupling theory is used to calculate the density profile near the colloidal surface and a Poisson-Boltzmann equation with a renormalized boundary condition to account for the counterion distribution in the far-field. All the results are compared with the Monte Carlo simulations, showing an excellent agreement between the theory and the simulations.PACS numbers: 64.70.pv, 61.20.Qg, 82.45.Gj Colloidal suspensions are of great practical interest for biology, chemistry, and physics. The subject has a long history going back more than a hundred years. In spite of the intense effort, many interesting phenomena which are found in colloidal science have not been fully elucidated. For example, it is well known that the stability of a hydrophobic colloidal suspension depends specifically on the electrolyte present in suspension. Addition of multivalent counterions results in a rapid precipitation of colloidal particles. What is more surprising is that even for monovalent counterions, stability of colloidal suspensions depend strongly on the precise nature of the counterions. Thus, as one goes along the halogen series, the critical coagulation concentrations of positive colloidal particles can decrease by as much as an order of magnitude, when anion is changed from fluoride to iodide [1]. Another interesting phenomenon found in suspensions with multivalent ions is the reversal of electrophoretic mobility [2,3], or equivalently charge reversal [4][5][6][7]. Under some conditions, it is also possible to observe like-charge attraction between the colloidal particles of the same sign of charge [8][9][10][11][12]. Many of these interesting phenomena are the consequence of strong electrostatic correlations between the counterions. The role of electrostatic correlations has been studied using simple models of colloidal suspensions which neglect particle polarizability. The standard Poisson-Boltzmann equation (PB) -used extensively in colloidal science -fails to account for the induced charge at the particle-solvent interface, predicting that the counterion density should remain unaffected by the colloidal polarizability. In this Letter, we will show that the induced colloidal charge significantly modifies the ionic density distribution even for monovalent counterions. The theory developed in this Letter allows us to accurately predict the counterion density distribution both in the weak (monovalent counterions) and strong (multivalent counterions) coupling limits.We will use the primitive model of colloidal suspension in which colloidal particles are represented by hard spheres of radius a and dielectric constant ǫ c with the ...

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Image charges in spherical geometry: Application to colloidal systems

Cited by 135 publications

References 20 publications

Polyelectrolyte Multilayering on a Charged Planar Surface

Polyelectrolyte Multilayering on a Charged Planar Surface

Applying electric field to charged and polar particles between metallic plates: Extension of the Ewald method

Weak and Strong Coupling Theories for Polarizable Colloids and Nanoparticles

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