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Surface charge density and electrokinetic potential of highly charged minerals: Experiments and Monte Carlo simulations on calcium silicate hydrate

Labbez, C; Jönsson, Bo LU ; Pochard, I; Nonat, A and Cabane, B (2006) In The Journal of Physical Chemistry Part B 110(18). p.9219-9230
Abstract
In this paper, we are concerned with the charging and electrokinetic behavior of colloidal particles exhibiting a high surface charge in the alkaline pH range. For such particles, a theoretical approach has been developed in the framework of the primitive model. The charging and electrokinetic behavior of the particles are determined by the use of a Monte Carlo simulation in a grand canonical ensemble and compared with those obtained through the mean field theory. One of the most common colloidal particles has been chosen to test our theoretical approach. That is calcium silicate hydrate (C-S-H) which is the main component of hydrated cement and is known for being responsible for cement cohesion partly due to its unusually high surface... (More)
In this paper, we are concerned with the charging and electrokinetic behavior of colloidal particles exhibiting a high surface charge in the alkaline pH range. For such particles, a theoretical approach has been developed in the framework of the primitive model. The charging and electrokinetic behavior of the particles are determined by the use of a Monte Carlo simulation in a grand canonical ensemble and compared with those obtained through the mean field theory. One of the most common colloidal particles has been chosen to test our theoretical approach. That is calcium silicate hydrate (C-S-H) which is the main component of hydrated cement and is known for being responsible for cement cohesion partly due to its unusually high surface charge density. Various experimental techniques have been used to determine its surface charge and electrokinetic potential. The experimental and simulated results are in excellent agreement over a wide range of electrostatic coupling, from a weakly charged surface in contact with a reservoir containing monovalent ions to a highly charged one in contact with a reservoir with divalent ions. The electrophoretic measurements show a charge reversal of the C-S-H particles at high pH and/or high calcium concentration in excellent agreement with simulation predictions. Finally, both simulation and experimental results clearly demonstrate that the mean field theory fails not only quantitatively but also qualitatively to describe a C-S-H dispersion under realistic conditions. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
110
issue
18
pages
9219 - 9230
publisher
The American Chemical Society
external identifiers
  • wos:000237451300047
  • scopus:33744810854
ISSN
1520-5207
DOI
10.1021/jp057096+
language
English
LU publication?
yes
id
52eaf365-eb38-4b0e-8340-af67dd8bdbfb (old id 410040)
date added to LUP
2007-10-08 10:10:11
date last changed
2018-09-16 04:11:38
@article{52eaf365-eb38-4b0e-8340-af67dd8bdbfb,
  abstract     = {In this paper, we are concerned with the charging and electrokinetic behavior of colloidal particles exhibiting a high surface charge in the alkaline pH range. For such particles, a theoretical approach has been developed in the framework of the primitive model. The charging and electrokinetic behavior of the particles are determined by the use of a Monte Carlo simulation in a grand canonical ensemble and compared with those obtained through the mean field theory. One of the most common colloidal particles has been chosen to test our theoretical approach. That is calcium silicate hydrate (C-S-H) which is the main component of hydrated cement and is known for being responsible for cement cohesion partly due to its unusually high surface charge density. Various experimental techniques have been used to determine its surface charge and electrokinetic potential. The experimental and simulated results are in excellent agreement over a wide range of electrostatic coupling, from a weakly charged surface in contact with a reservoir containing monovalent ions to a highly charged one in contact with a reservoir with divalent ions. The electrophoretic measurements show a charge reversal of the C-S-H particles at high pH and/or high calcium concentration in excellent agreement with simulation predictions. Finally, both simulation and experimental results clearly demonstrate that the mean field theory fails not only quantitatively but also qualitatively to describe a C-S-H dispersion under realistic conditions.},
  author       = {Labbez, C and Jönsson, Bo and Pochard, I and Nonat, A and Cabane, B},
  issn         = {1520-5207},
  language     = {eng},
  number       = {18},
  pages        = {9219--9230},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {Surface charge density and electrokinetic potential of highly charged minerals: Experiments and Monte Carlo simulations on calcium silicate hydrate},
  url          = {http://dx.doi.org/10.1021/jp057096+},
  volume       = {110},
  year         = {2006},
}