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1p K and 2p K Protonation Models in the Theoretical Description of Simple Ion Adsorption at the Oxide/Electrolyte Interface: Studying of the Role of the Energetic Heterogeneity of Oxide Surfaces

โœ Scribed by Piasecki, Wojciech


Book ID
125494236
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
100 KB
Volume
18
Category
Article
ISSN
0743-7463

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Study of proton adsorption at heterogene
โœ P. Zarzycki; R. Charmas; P. Szabelski ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 109 KB

Adsorption of protons on a heterogeneous solid surface is modeled using the Monte Carlo (MC) simulation method. The surface of an oxide is assumed to consist of adsorption sites with pK assigned according to a quasi-Gaussian distribution. The influence of the electrostatic interactions combined with