A force field for tricalcium aluminate to characterize surface properties, initial hydration, and organically modified interfaces in atomic resolution-Reference-Cited by-同舟云学术

A force field for tricalcium aluminate to characterize surface properties, initial hydration, and organically modified interfaces in atomic resolution

Published:2014 Issue:27 Volume:43 Page:10602-10616
ISSN:1477-9226
Container-title:Dalton Trans.
language:en
Short-container-title:Dalton Trans.

Author:

Mishra Ratan K.¹²³⁴,Fernández-Carrasco Lucia⁵⁶⁷,Flatt Robert J.¹²³⁴,Heinz Hendrik⁸⁹¹⁰

Affiliation:

1. Department of Civil

2. Environmental and Geomatic Engineering

3. ETH Zurich

4. CH-8093 Zürich, Switzerland

5. Department of Architectural Technology I

6. Universitat Politècnica de Catalunya

7. 08028 Barcelona, Spain

8. Department of Polymer Engineering

9. University of Akron

10. Akron, USA

Abstract

A force field for tricalcium aluminate is presented, validated, and applied to generate insight into surface forces, the hydration reaction, and molecular adsorption that remains elusive from experiment.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2014/DT/C4DT00438H

Reference75 articles.

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