Changes in portlandite morphology with solvent composition: Atomistic simulations and experiment

Journal Article · Thu Dec 15 00:00:00 EST 2011 · Cement and Concrete Research

DOI:https://doi.org/10.1016/j.cemconres.2011.04.009· OSTI ID:21576908

Galmarini, Sandra; Aimable, Anne; Ruffray, Nicolas; Bowen, Paul

Experimental work has been done to determine changes in the particle shape of portlandite grown in the presence of different ions. To quantify the experimentally observed changes in morphology a new analysis tool was developed, allowing the calculation of the relative surface energies of the crystal facets. The observed morphology in the presence of chlorides and nitrates was facetted particles of a similar shape, the addition of sulfates leads to hexagonal platelet morphology and the addition of silicates leads to the formation of large irregular aggregates. In addition to the experimental work, the surfaces of portlandite were studied with atomistic simulation techniques. The empirical force field used has first been validated. The equilibrium morphology of portlandite in vacuum and in water was then calculated. The results indicate that the presence of water stabilizes the [20.3] surface and changes the morphology. This is consistent with the experimental observation of [20.3] surfaces.

• OSTI ID: 21576908
• Journal Information: Cement and Concrete Research, Vol. 41, Issue 12; Conference: International summit on cement hydration kinetics and modeling;CONMOD10: Symposium on concrete modelling, Quebec City, PB (Canada);Lausanne (Switzerland), 27-29 Jul 2009;22-25 Jun 2010; Other Information: DOI: 10.1016/j.cemconres.2011.04.009; PII: S0008-8846(11)00120-7; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0008-8846
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTALS
IMAGE PROCESSING
MICROSTRUCTURE
MORPHOLOGY
NITRATES
PARTICLES
SHAPE
SILICATES
SIMULATION
SULFATES
SURFACE ENERGY
SURFACES
ENERGY
FREE ENERGY
NITROGEN COMPOUNDS
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
PROCESSING
SILICON COMPOUNDS
SULFUR COMPOUNDS
SURFACE PROPERTIES
THERMODYNAMIC PROPERTIES