Simulations of Solvent Effects on Confined Electrolytes

Abstract

Monte Carlo simulations are reported for the solvent primitive model (SPM) of the electrical double layer at electrically charged and neutral surfaces. Both solvent and ions are modeled as hard spheres with interactions governed by hard sphere and Coulomb interactions. Density profiles of solvent and ions and electrostatic potential profiles are presented for 1:1 electrolyte concentrations of 1 and 2M at 300K. Comparison of results at charged and neutral walls indicates that the solvent structure contributes significantly to the layering of ions and decrease of potentials in the double layer, a result not obtainable from simulations of the conventional primitive model (PM) of the double layer. The solvent induced steric ordering of electrolyte ions at a neutral wall create a space charge layer. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Feb 26, 1992
Accession Number
ADA246851

Entities

People

  • H. T. Davis
  • Henry S. White
  • Lianrui Zhang

Organizations

  • University of Minnesota

Tags

DTIC Thesaurus Topics

  • Charge Density
  • Charged Particles
  • Chemical Compounds
  • Chemical Engineering
  • Chemistry
  • Diameters
  • Engineering
  • Ion Density
  • Materials
  • Materials Science
  • Military Research
  • Minnesota
  • Monte Carlo Method
  • Physical Chemistry
  • Probability
  • Simulations
  • United States

Readers

  • Materials Science and Engineering.
  • Organic Chemistry
  • Plasma Physics.

Technology Areas

  • Space
  • Space - Hall-Effect Thruster