Screening of Charged Electrodes in Aqueous Electrolytes
Abstract
Molecular dynamics simulations are used to demonstrate for the first time that systems about 4 nm thick containing 1200 to 1600 water molecules and NaC1 at 1M to 3M concentrations exhibit the main components of electric double layers at charged metal surfaces. In particular for the system chosen there are regions clearly identifiable as a bulk electrolyte zone, a diffuse layer that screens the charge on the electrode and a layer of oriented water localized next to the electrode. The width of the diffuse layer increases with decrease in salt concentration from 0.2 nm at 3 M to 0.5 nm at 1 M. All the calculations are based on the simple point charge model (SPCE) water model and the immersed electrode approximation
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 29, 1994
- Accession Number
- ADA284065
Entities
People
- James N. Glosli
- Michael R. Philpott
Organizations
- International Business Machines Corporation (Armonk, NY)