title: Aggregation of Calcium Silicate Hydrate Nanoplatelets.
abstract: 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.
authors: ICB, UMR 6303 CNRS, Univ. Bourgogne Franche-Comté , FR-21000 Dijon, France.|Theoretical Chemistry, Chemical Center, POB 124, S-221 00 Lund, Sweden.
authors: Maxime
authors: M
authors: Delhorme
authors: ICB, UMR 6303 CNRS, Univ. Bourgogne Franche-Comté , FR-21000 Dijon, France.
authors: Christophe
authors: C
authors: Labbez
authors: ICB, UMR 6303 CNRS, Univ. Bourgogne Franche-Comté , FR-21000 Dijon, France.
authors: Martin
authors: M
authors: Turesson
authors: ICB, UMR 6303 CNRS, Univ. Bourgogne Franche-Comté , FR-21000 Dijon, France.
authors: Eric
authors: E
authors: Lesniewska
authors: PEMS, University of New South Wales , Canberra 260x ACT, Australia.
authors: Cliff E
authors: CE
authors: Woodward
authors: Theoretical Chemistry, Chemical Center, POB 124, S-221 00 Lund, Sweden.
authors: Bo
authors: B
authors: Jönsson