This article presents the results of molecular dynamic simulations of double layers developing on a flat mineral surface in aqueous sodium chloride solution. This part depicts the simulation results compared to classical double layer theory. Ion distribution, solvent orientation, and potential curve
Molecular dynamics simulation of adsorption in electric double layers
β Scribed by Michael R. Philpott; James N. Glosli; Sheng-Bai Zhu
- Book ID
- 116067343
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 727 KB
- Volume
- 335
- Category
- Article
- ISSN
- 0039-6028
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π SIMILAR VOLUMES
## This paper summarizes some recent work directed towards the construction of a wholly molecular theory of the solution side of an electrical double layer using modem liquid state theory. The influence of surface charge on the solvent restructuring near the surface and the consequences of this fo
## ment in the computing facilities makes numerical solution of The unsteady-state electrical potential and the concentrations a complicated problem feasible, and approximate analytical of ions between two identical, negatively-charged particles imsolutions to PBE becomes convenient in the estimat