Aggregation of Calcium Silicate Hydrate Nanoplatelets

We study the aggregation of calcium silicate hydrate nanoplatelets on a surface by means of Monte Carlo and molecular dynamics simulations at thermodynamic equilibrium. Calcium silicate hydrate (C-S-H) is the main component formed in cement and is responsible for the strength of the material. The hy...

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Published inLangmuir Vol. 32; no. 8; pp. 2058 - 2066
Main Authors Delhorme, Maxime, Labbez, Christophe, Turesson, Martin, Lesniewska, Eric, Woodward, Cliff E, Jönsson, Bo
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 01.03.2016
Subjects
Chemical Physics
Chemical Sciences
Kemi
Materialkemi
Materials Chemistry
Natural Sciences
Naturvetenskap
Physics
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Summary:We study the aggregation of calcium silicate hydrate nanoplatelets on a surface by means of Monte Carlo and molecular dynamics simulations at thermodynamic equilibrium. Calcium silicate hydrate (C-S-H) is the main component formed in cement and is responsible for the strength of the material. The hydrate is formed in early cement paste and grows to form platelets on the nanoscale, which aggregate either on dissolving cement particles or on auxiliary particles. The general result is that the experimentally observed variations in these dynamic processes generically called growth can be rationalized from interaction free energies, that is, from pure thermodynamic arguments. We further show that the surface charge density of the particles determines the aggregate structures formed by C-S-H and thus their growth modes.
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ISSN:0743-7463
1520-5827
DOI:10.1021/acs.langmuir.5b03846