Journal
AIP ADVANCES
Volume 8, Issue 2, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.5022036
Keywords
-
Funding
- Directorate For Engineering
- Div Of Chem, Bioeng, Env, & Transp Sys [1402897] Funding Source: National Science Foundation
Ask authors/readers for more resources
The purpose of this study is to provide data for the primitive model of the planar electrical double layer, where ions are modeled as charged hard spheres, the solvent as an implicit dielectric background (with dielectric constant epsilon = 78.5), and the electrode as a smooth, uniformly charged, hard wall. We use canonical and grand canonical Monte Carlo simulations to compute the concentration profiles, from which the electric field and electrostatic potential profiles are obtained by solving Poisson's equation. We report data for an extended range of parameters including 1:1, 2:1, and 3:1 electrolytes at concentrations c = 0.0001 - 1 M near electrodes carrying surface charges up to sigma = +/- 0.5 Cm-2. The anions are monovalent with a fixed diameter d(-) = 3 angstrom, while the charge and diameter of cations are varied in the range z(+) = 1, 2, 3 and d(+) = 1.5, 3, 6, and 9 angstrom (the temperature is 298.15 K). We provide all the raw data in the supplementary material. (c) 2018 Author(s).
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available