Molecular Dynamic Simulations of Single, Interacting, and Sheared Double Layers

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...

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Published in:Journal of colloid and interface science 1998-12, Vol.208 (2), p.555-561
Main Authors: Mattke, T, Kecke, HJ
Format: Article
Language:English
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description 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. Copyright 1998 Academic Press.
doi_str_mv 10.1006/jcis.1998.5825
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title Molecular Dynamic Simulations of Single, Interacting, and Sheared Double Layers
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