Molecular Dynamics Modeling of Chloride Binding to the Surfaces of Calcium Hydroxide, Hydrated Calcium Aluminate, and Calcium Silicate Phases

By A. Kalinichev, R. Kirkpatrick. 2002

274 citations recorded by the source corpus.

Subfields: Biomaterials, Civil and Structural Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/1d79a73980889a1388b384f42a054f3beaaa8e90

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Biomaterials

1. R. James Kirkpatrick
2. Jianwei Wang
3. A. Kalinichev
4. Konstantin Sobolev
5. F. Sanchez
6. D. Hou

In Civil and Structural Engineering

1. Konstantin Sobolev
2. R. James Kirkpatrick
3. Jianwei Wang
4. A. Kalinichev
5. F. Sanchez

In Materials Chemistry

1. F. Sanchez
2. Konstantin Sobolev
3. R. James Kirkpatrick
4. Jianwei Wang
5. A. Kalinichev

Citations in the corpus

• Nanotechnology in concrete – A review (2010, methodology): “phases, and calcium silicate phases (tobermorite) has been simulated by MD [92].”
• Molecular modeling of water structure in nano-pores between brucite (001) surfaces 1 1 Associate editor: U. Becker (2004, methodology): “The positive structural layer charge of this phase and the highly distorted Ca(OH)6 octahedra in the hydroxide layer prevent H-bond donation from H2O molecules to the surface and restrict development of a fully interconnected H-bonding network across the interface (Kalinichev and Kirkpatrick, 2002).”