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Molecular Dynamic Simulations of Single, Interacting, and Sheared Double Layers: 1. Configuration of a Double Layer

✍ Scribed by Torsten Mattke; Hans-Joachim Kecke

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
241 KB
Volume
208
Category
Article
ISSN
0021-9797

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✦ Synopsis

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 were derived for this propose. Dynamical values were calculated in the steady state and used to assess the idea of two parts of a double layer, stagnant and mobile, separated by a shear plane.

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