2008
DOI: 10.1063/1.2933434
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Grand canonical Monte Carlo investigations of electrical double layer in molten salts

Abstract: Results of the Monte Carlo simulation of the electrode/molten salt interface are reported. The system investigated was modeled by the restricted primitive model of electrolyte being in contact with the charged hard wall (hard spheres of diameter d=400 pm and relative permittivity epsilon(r)=10). The temperature analysis of the mean activity coefficient gamma(+/-), heat capacity C(v) and radial distribution function, g, indicated the range of temperatures of the study. Calculations for the electrode/electrolyte… Show more

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Cited by 48 publications
(37 citation statements)
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“…In Sec. III A, results from the DFT are compared with the Monte Carlo simulations of Lamperski and Kłos,13,14 and show good agreement with the simulations. Next, in Sec.…”
Section: Introductionmentioning
confidence: 71%
“…In Sec. III A, results from the DFT are compared with the Monte Carlo simulations of Lamperski and Kłos,13,14 and show good agreement with the simulations. Next, in Sec.…”
Section: Introductionmentioning
confidence: 71%
“…The interest to the double layer in RTILs at electrified interfaces, has triggered a wave of new theoretical [3,14,15], experimental [1,2,[16][17][18][19][20][21] and simulation [22][23][24][25][26][27][28][29] studies of the capacitance in ionic liquids at different electrodes in a range of electrode potentials. One group of simulations [23,24,28] deliberately did not mimic the force-field patterns of real ionic liquids.…”
Section: Introductionmentioning
confidence: 99%
“…The theory is highly influential, and as of this writing SciFinder Scholar database reports over 100 citations to this paper. The theory has been used to interpret the results of experimental studies, and has been cited in a number of theoretical studies (4)(5)(6)(7)(8)(9)(10). The model is based on the Borukhov et al treatment described above, and therefore excludes the short-ranged ion-ion correlations noted above.…”
Section: Introductionmentioning
confidence: 98%