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Home > Publications > International Concrete Abstracts Portal
The International Concrete Abstracts Portal is an ACI led collaboration with leading technical organizations from within the international concrete industry and offers the most comprehensive collection of published concrete abstracts.
Title: Molecular Engineering of the Cohesionin Neat and Hybrid Cement Hydrates
Author(s): A. Gmira, J. Minet, A. Franceschini, N. Lequeux, R.J.-M. Pellenq, and H. Van Damme
Publication: Special Publication
Appears on pages(s): 29-40
Keywords: C-S-H; cohesion forces; hybrid hydrates; molecular simulation
Abstract:On the basis of recent molecular simulation or experimental studies, we discuss two possible strategies for improving the mechanical properties of
cementitious materials by modifying the bonding scheme in the hydrates at
molecular level. We focus on the calcium silicate hydrates (C-S-H). A first strategy would be based on the strengthening of the cohesion forces acting between the individual C-S-H lamellae or between their crystallites. Monte Carlo simulations in the primitive model framework and ab initio atomistic calculations suggest that the cohesion of C-S-H is mainly due to a combination of sub-nano range ionic-covalent forces and meso-range ionic correlation forces. Both types of forces may be modified, at least in theory, by changing the nature of the interstitial ions, their hydration state, or the charge density on the C-S-H lamellae.
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