Influence of size of solvent molecules on structural and thermodynamic properties of the electrode/electrolyte interface

Pluciennik, Monika; Outhwaite, C.W.; Lamperski, Stanisław

doi:10.1080/00268976.2013.805847

Cited by 3 publications

(4 citation statements)

References 22 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The appropriate SPM formulation is given in I. The MPB5 and MPB + EVT theories were solved numerically 21,22 using the previously developed quasi-linearisation procedure.…”

Section: Model and Methodsmentioning

confidence: 99%

“…The SPM electrolyte with ions and solvent of equal or different size has been studied using both simulation, [8][9][10][11][12][13] density functional theory, 6,7,11,[14][15][16][17][18][19] Poisson-Boltzmann (PB) theory with an exclusion volume term 20 and the modified Poisson-Boltzmann (MPB) theory. 13,21,22 In ref. 22, denoted by I, emphasis was placed on the structural properties of the planar electric double layer rather than the thermodynamic properties.…”

Section: Introductionmentioning

confidence: 99%

“…13,21,22 In ref. 22, denoted by I, emphasis was placed on the structural properties of the planar electric double layer rather than the thermodynamic properties. Here we consider in greater detail the capacitance prediction of the model, with Monte Carlo simulations and two formulations of the MPB theory.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

The planar electric double layer capacitance for the solvent primitive model electrolyte

Lamperski

Pluciennik

Outhwaite

2015

Phys. Chem. Chem. Phys.

Self Cite

View full text Add to dashboard Cite

The planar electric double layer capacitance of the solvent primitive model electrolyte is studied using simulation and two versions of the modified Poisson-Boltzmann theory. At small values of the surface charge and varying electrolyte concentration, the capacitance has a behaviour analogous to that of the restricted primitive model electrolyte. As the electrolyte concentration is increased at a fixed total packing fraction, the minimum at zero surface charge changes to a maximum. This qualitative change is predicted by both simulation and the modified Poisson-Boltzmann theories. The transition envelope, separating the change in the capacitance from a minimum to a maximum at zero surface charge, is shifted from the restricted primitive model value to higher ion densities at fixed total packing fractions.

show abstract

“…The appropriate SPM formulation is given in I. The MPB5 and MPB + EVT theories were solved numerically 21,22 using the previously developed quasi-linearisation procedure.…”

Section: Model and Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

The planar electric double layer capacitance for the solvent primitive model electrolyte

Lamperski

Pluciennik

Outhwaite

2015

Phys. Chem. Chem. Phys.

Self Cite

View full text Add to dashboard Cite

show abstract

“…SPM is the simplest model of an electrolyte which includes the volume of solvent molecules. In SPM, solvent molecules are modelled by neutral hard spheres whose diameter is the same as [13,14] or different [15] from that of ions. Neutral spheres as well as cations and anions are immersed in the continuous dielectric medium characterised by r .…”

Section: Introductionmentioning

confidence: 99%

Influence of anisotropic ion shape, asymmetric valency, and electrolyte concentration on structural and thermodynamic properties of an electric double layer

Kaja¹,

Lamperski²,

Silvestre-Alcantara³

et al. 2016

Condens. Matter Phys.

View full text Add to dashboard Cite

Grand canonical Monte Carlo simulation results are reported for an electric double layer modelled by a planar charged hard wall, anisotropic shape cations, and spherical anions at different electrolyte concentrations and asymmetric valencies. The cations consist of two tangentially tethered hard spheres of the same diameter, d . One sphere is charged while the other is neutral. Spherical anions are charged hard spheres of diameter d .The ion valency asymmetry 1:2 and 2:1 is considered, with the ions being immersed in a solvent mimicked by a continuum dielectric medium at standard temperature. The simulations are carried out for the following electrolyte concentrations: 0.1, 1.0 and 2.0 M. Profiles of the electrode-ion, electrode-neutral sphere singlet distributions, the average orientation of dimers, and the mean electrostatic potential are calculated for a given electrode surface charge, σ, while the contact electrode potential and the differential capacitance are presented for varying electrode charge. With an increasing electrolyte concentration, the shape of differential capacitance curve changes from that with a minimum surrounded by maxima into that of a distorted single maximum. For a 2:1 electrolyte, the maximum is located at a small negative σ value while for 1:2, at a small positive value.

show abstract

Grand Canonical Monte Carlo Investigation of the Electric Double Layer with a Graphene Electrode and Size Asymmetric Ions at Different Electrolyte Concentrations

Gorniak

Lamperski

2016

Electrochimica Acta

View full text Add to dashboard Cite

Influence of size of solvent molecules on structural and thermodynamic properties of the electrode/electrolyte interface

Cited by 3 publications

References 22 publications

The planar electric double layer capacitance for the solvent primitive model electrolyte

The planar electric double layer capacitance for the solvent primitive model electrolyte

Influence of anisotropic ion shape, asymmetric valency, and electrolyte concentration on structural and thermodynamic properties of an electric double layer

Grand Canonical Monte Carlo Investigation of the Electric Double Layer with a Graphene Electrode and Size Asymmetric Ions at Different Electrolyte Concentrations

Contact Info

Product

Resources

About