Monte Carlo simulation of the double layer at an electrode including the effect of a dielectric boundary |
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Authors: | M. Alawneh |
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Affiliation: | Department of Chemistry and Biochemistry , Brigham Young University , Provo, UT, 84602-5700, USA |
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Abstract: | Monte Carlo values of the density profiles and related properties of the double layer formed by an electrolyte near a charged electrode are reported for the cases where the electrode has a dielectric coefficient greater, equal, and smaller than that of the electrolyte that causes a surface polarization that can be represented by electrostatic images. As expected, compared to the case where there is no dielectric boundary the ions near the electrode are attracted or repelled by the electrode if the dielectric coefficient is greater or smaller, respectively, than that of the electrolyte. This effect is most pronounced near the electrode and is stronger for 2:2 electrolytes than for 1:1 electrolytes. For both monovalent and divalent ions the effect of the dielectric boundary is stronger at low concentrations. |
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Keywords: | Monte Carlo simulation Dielectric boundary Density profiles Electrolyte Double layer |
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