Molecular Dynamics Simulations of Hydroxyapatite Nanopores in Contact with Electrolyte Solutions: The Effect of Nanoconfinement and Solvated Ions on the Surface Reactivity and the Structural, Dynamical, and Vibrational Properties of Water

Molecular Dynamics Simulations of Hydroxyapatite Nanopores in Contact with Electrolyte Solutions: The Effect of Nanoconfinement and Solvated Ions on the Surface Reactivity and the Structural, Dynamical, and Vibrational Properties of Water

Hydroxyapatite, the main mineral phase of mammalian tooth enamel and bone, grows within nanoconfined environments and in contact with aqueous solutions that are rich in ions. Hydroxyapatite nanopores of different pore sizes (20 Å ≤ H ≤ 110 Å, where H is the size of the nanopore) in contact with liqu...

Full description

Bibliographic Details
Main Authors: Devis Di Tommaso, Muthuramalingam Prakash, Thibault Lemaire, Marius Lewerenz, Nora H. de Leeuw, Salah Naili
Format: Article
Language:English
Published: MDPI AG 2017-02-01
Series:Crystals
Subjects:
hydroxyapatite
nanoconfinement
electrolyte solution
molecular dynamics
Online Access:http://www.mdpi.com/2073-4352/7/2/57

Internet

http://www.mdpi.com/2073-4352/7/2/57

Similar Items