Water Organization and Dynamics on Mineral Surfaces Interrogated by Graph Theoretical Analyses of Intermolecular Chemical Networks

Water Organization and Dynamics on Mineral Surfaces Interrogated by Graph Theoretical Analyses of Intermolecular Chemical Networks

Intermolecular chemical networks defined by the hydrogen bonds formed at the α-quartz|water interface have been data-mined using graph theoretical methods so as to identify and quantify structural patterns and dynamic behavior. Using molecular-dynamics simulations data, the hydrogen bond (H-bond) di...

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Bibliographic Details
Main Authors: Abdullah Ozkanlar, Morgan P. Kelley, Aurora E. Clark
Format: Article
Language:English
Published: MDPI AG 2014-03-01
Series:Minerals
Subjects:
mineral surfaces
α-quartz|water interface
chemical networks
hydrogen bond
graph theory
complex network analysis
Online Access:http://www.mdpi.com/2075-163X/4/1/118

Internet

http://www.mdpi.com/2075-163X/4/1/118

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