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Experimental and theoretical evidence of overcharging of calcium silicate hydrate

Labbez, Christophe LU ; Nonat, Andre; Pochard, Isabelle and Jönsson, Bo LU (2007) In Journal of Colloid and Interface Science 309(2). p.303-307
Abstract
Electrokinetic measurements such as electrophoresis may show an inversion of the effective surface charge of colloidal particle called overcharging. This phenomenon has been studied by various theoretical approaches but up to now very few attempts of confrontation between theory and experiment have been conducted. In this work we report electrophoretic measurements as well as Monte Carlo simulations of the electrokinetic potential for the surf ice of calcium silicate hydrate (C-S-H), which is the major constituent of hydrated cement. In the simulations, the surface charge of C-S-H nanoparticles in equilibrium with the ionic solution is determined by a single site characteristic and electrostatic interactions between all explicit charges at... (More)
Electrokinetic measurements such as electrophoresis may show an inversion of the effective surface charge of colloidal particle called overcharging. This phenomenon has been studied by various theoretical approaches but up to now very few attempts of confrontation between theory and experiment have been conducted. In this work we report electrophoretic measurements as well as Monte Carlo simulations of the electrokinetic potential for the surf ice of calcium silicate hydrate (C-S-H), which is the major constituent of hydrated cement. In the simulations, the surface charge of C-S-H nanoparticles in equilibrium with the ionic solution is determined by a single site characteristic and electrostatic interactions between all explicit charges at the surface and in the electric double layer. We will show that ordinary electrostatic interactions are enough to describe all experimental observations. Actually, an excellent agreement is found between experimental and simulated results without any fitting parameter, both with respect to surface titration and electrokinetic behaviour. The agreement extends over a wide range of electrostatic coupling, from a weakly charged surface with mainly monovalent counter-ions to a highly charged one with divalent counter-ions. (C) 2007 Elsevier Inc. All rights reserved. (Less)
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author
organization
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type
Contribution to journal
publication status
published
subject
keywords
surface, Monte Carlo simulation, overcharging, calcium silicate hydrate, charge titration, zeta potential
in
Journal of Colloid and Interface Science
volume
309
issue
2
pages
303 - 307
publisher
Elsevier
external identifiers
  • wos:000245967700014
  • scopus:34047263435
ISSN
1095-7103
DOI
10.1016/j.jcis.2007.02.048
language
English
LU publication?
yes
id
f02b80dd-109b-4008-b25d-6991c4342eee (old id 662595)
date added to LUP
2007-12-13 18:19:15
date last changed
2017-09-10 03:48:52
@article{f02b80dd-109b-4008-b25d-6991c4342eee,
  abstract     = {Electrokinetic measurements such as electrophoresis may show an inversion of the effective surface charge of colloidal particle called overcharging. This phenomenon has been studied by various theoretical approaches but up to now very few attempts of confrontation between theory and experiment have been conducted. In this work we report electrophoretic measurements as well as Monte Carlo simulations of the electrokinetic potential for the surf ice of calcium silicate hydrate (C-S-H), which is the major constituent of hydrated cement. In the simulations, the surface charge of C-S-H nanoparticles in equilibrium with the ionic solution is determined by a single site characteristic and electrostatic interactions between all explicit charges at the surface and in the electric double layer. We will show that ordinary electrostatic interactions are enough to describe all experimental observations. Actually, an excellent agreement is found between experimental and simulated results without any fitting parameter, both with respect to surface titration and electrokinetic behaviour. The agreement extends over a wide range of electrostatic coupling, from a weakly charged surface with mainly monovalent counter-ions to a highly charged one with divalent counter-ions. (C) 2007 Elsevier Inc. All rights reserved.},
  author       = {Labbez, Christophe and Nonat, Andre and Pochard, Isabelle and Jönsson, Bo},
  issn         = {1095-7103},
  keyword      = {surface,Monte Carlo simulation,overcharging,calcium silicate hydrate,charge titration,zeta potential},
  language     = {eng},
  number       = {2},
  pages        = {303--307},
  publisher    = {Elsevier},
  series       = {Journal of Colloid and Interface Science},
  title        = {Experimental and theoretical evidence of overcharging of calcium silicate hydrate},
  url          = {http://dx.doi.org/10.1016/j.jcis.2007.02.048},
  volume       = {309},
  year         = {2007},
}