Open AccessMolecular Dynamics Simulations of Water Structure and Diffusion in a 1 nm Diameter Silica Nanopore as a Function of Surface Charge and Alkali Metal Counterion Identity
Author(s) -
Marie Collin,
Stéṕhane Gin,
Baptiste Dazas,
Thiruvillamalai Mahadevan,
Jincheng Du,
Ian C. Bourg
Publication year - 2018
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.8b03902
Subject(s) - nanopore , chemical physics , counterion , molecular dynamics , diffusion , surface charge , ion , nanofluidics , materials science , chemistry , aluminosilicate , adsorption , silicate , nanotechnology , computational chemistry , thermodynamics , organic chemistry , physics , catalysis
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