Selective adsorption of ions in charged slit-systems

Valiskó, Mónika; Henderson, Douglas; Boda, Dezső

doi:10.5488/cmp.16.43601

Cited by 3 publications

(2 citation statements)

References 75 publications

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“…[34][35][36][37][38] A planar EDL in water (at 298 K) has been simulated here. In this work, simulations were performed within the primitive model, in which ions are considered charged hard spheres and the solvent is thought of as a continuum of dielectric constant ε r .…”

Section: Model and Simulationmentioning

confidence: 99%

“…In fact, this model has been particularly useful in the study of mesoscopic systems governed by electrostatic interactions as well as by the effects of the ion size. [34][35][36][37][38] A planar EDL in water (at 298 K) has been simulated here. Such an EDL is generated by a uniformly charged wall (that represents the particle surface) located at z = 0.…”

Section: Modelmentioning

confidence: 99%

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Specific ion effects on the electrokinetic properties of iron oxide nanoparticles: experiments and simulations

Vereda

Martín-Molina

Hidalgo‐Álvarez

et al. 2015

Phys. Chem. Chem. Phys.

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We report experimental and simulation studies on ion specificity in aqueous colloidal suspensions of positively charged, bare magnetite nanoparticles. Magnetite has the largest saturation magnetization among iron oxides and relatively low toxicity, which explain why it has been used in multiple biomedical applications. Bare magnetite is hydrophilic and the sign of the surface charge can be changed by adjusting the pH, its isoelectric point being in the vicinity of pH = 7. Electrophoretic mobility of our nanoparticles in the presence of increasing concentrations of different anions showed that anions regarded as kosmotropic are more efficient in decreasing, and even reversing, the mobility of the particles. If the anions were ordered according to the extent to which they reduced the particle mobility, a classical Hofmeister series was obtained with the exception of thiocyanate, whose position was altered. Monte Carlo simulations were used to predict the diffuse potential of magnetite in the presence of the same anions. The simulations took into account the ion volume, and the electrostatic and dispersion forces among the ions and between the ions and the solid surface. Even though no fitting parameters were introduced and all input data were estimated using Lifshitz theory of van der Waals forces or obtained from the literature, the predicted diffusion potentials of different anions followed the same order as the mobility curves. The results suggest that ionic polarizabilities and ion sizes are to a great extent responsible for the specific ion effects on the electrokinetic potential of iron oxide particles.

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Section: Model and Simulationmentioning

confidence: 99%

Section: Modelmentioning

confidence: 99%

Specific ion effects on the electrokinetic properties of iron oxide nanoparticles: experiments and simulations

Vereda

Martín-Molina

Hidalgo‐Álvarez

et al. 2015

Phys. Chem. Chem. Phys.

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Electric double layer capacitance for ionic liquids in nanoporous electrodes: Effects of pore size and ion composition

Neal

Wesolowski

Henderson

et al. 2018

Journal of Molecular Liquids

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Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation

Moučka

Bratko

Luzar

2015

The Journal of Chemical Physics

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Using a newly developed grand canonical Monte Carlo approach based on fractional exchanges of dissolved ions and water molecules, we studied equilibrium partitioning of both components between laterally extended apolar confinements and surrounding electrolyte solution. Accurate calculations of the Hamiltonian and tensorial pressure components at anisotropic conditions in the pore required the development of a novel algorithm for a self-consistent correction of nonelectrostatic cut-off effects. At pore widths above the kinetic threshold to capillary evaporation, the molality of the salt inside the confinement grows in parallel with that of the bulk phase, but presents a nonuniform width-dependence, being depleted at some and elevated at other separations. The presence of the salt enhances the layered structure in the slit and lengthens the range of inter-wall pressure exerted by the metastable liquid. Solvation pressure becomes increasingly repulsive with growing salt molality in the surrounding bath. Depending on the sign of the excess molality in the pore, the wetting free energy of pore walls is either increased or decreased by the presence of the salt. Because of simultaneous rise in the solution surface tension, which increases the free-energy cost of vapor nucleation, the rise in the apparent hydrophobicity of the walls has not been shown to enhance the volatility of the metastable liquid in the pores.

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Selective adsorption of ions in charged slit-systems

Cited by 3 publications

References 75 publications

Specific ion effects on the electrokinetic properties of iron oxide nanoparticles: experiments and simulations

Specific ion effects on the electrokinetic properties of iron oxide nanoparticles: experiments and simulations

Electric double layer capacitance for ionic liquids in nanoporous electrodes: Effects of pore size and ion composition

Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation

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