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Aggregation of Calcium Silicate Hydrate Nanoplatelets.

Delhorme, Maxime LU ; Labbez, Christophe; Turesson, Martin; Lesniewska, Eric; Woodward, Cliff E and Jönsson, Bo LU (2016) In Langmuir 32(8). p.2058-2066
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... (More)
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. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Langmuir
volume
32
issue
8
pages
2058 - 2066
publisher
The American Chemical Society
external identifiers
  • pmid:26859614
  • scopus:84959420181
  • wos:000371371600016
ISSN
0743-7463
DOI
10.1021/acs.langmuir.5b03846
language
English
LU publication?
yes
id
32beceed-8295-44f1-a719-7b0f4386a5cc (old id 8826063)
date added to LUP
2016-03-07 16:12:18
date last changed
2017-01-01 04:14:48
@article{32beceed-8295-44f1-a719-7b0f4386a5cc,
  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.},
  author       = {Delhorme, Maxime and Labbez, Christophe and Turesson, Martin and Lesniewska, Eric and Woodward, Cliff E and Jönsson, Bo},
  issn         = {0743-7463},
  language     = {eng},
  number       = {8},
  pages        = {2058--2066},
  publisher    = {The American Chemical Society},
  series       = {Langmuir},
  title        = {Aggregation of Calcium Silicate Hydrate Nanoplatelets.},
  url          = {http://dx.doi.org/10.1021/acs.langmuir.5b03846},
  volume       = {32},
  year         = {2016},
}