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Ion-Ion Correlation and Charge Reversal at Titrating Solid Interfaces

Labbez, Christophe ; Jönsson, Bo LU ; Skarba, Michal and Borkovec, Michal (2009) In Langmuir 25(13). p.7209-7213
Abstract
Confronting grand canonical titration Monte Carlo simulations (MC) with recently published titration and charge reversal (CR) experiments on silica surfaces by Dove and Craven (Dove, P. M.; Craven, C. M. Geochim. Cosmochim. Acta 2005, 69, 4963-4970) and van der Heyden et al. (van der Heyden, F. H. J.; Stein, D.; Besteman, K.; Lemay, S. G.; Dekker, C. Phys. Rev. Lett. 2006, 96, 224502), we show that ion-ion correlations quantitatively explain why divalent counterions strongly promote surface charge which, in turn, eventually causes a CR. Titration and CR results from simulations and experiments are in excellent agreement without any fitting parameters. This is the first unambiguous evidence that ion-ion correlations arc instrumental in the... (More)
Confronting grand canonical titration Monte Carlo simulations (MC) with recently published titration and charge reversal (CR) experiments on silica surfaces by Dove and Craven (Dove, P. M.; Craven, C. M. Geochim. Cosmochim. Acta 2005, 69, 4963-4970) and van der Heyden et al. (van der Heyden, F. H. J.; Stein, D.; Besteman, K.; Lemay, S. G.; Dekker, C. Phys. Rev. Lett. 2006, 96, 224502), we show that ion-ion correlations quantitatively explain why divalent counterions strongly promote surface charge which, in turn, eventually causes a CR. Titration and CR results from simulations and experiments are in excellent agreement without any fitting parameters. This is the first unambiguous evidence that ion-ion correlations arc instrumental in the creation of highly charged surfaces and responsible for their CR. Finally, we show that charge correlations result in "anomalous" charge regulation in strongly coupled conditions in qualitative disagreement with its classical treatment. (Less)
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publishing date
type
Contribution to journal
publication status
published
subject
in
Langmuir
volume
25
issue
13
pages
7209 - 7213
publisher
The American Chemical Society (ACS)
external identifiers
  • wos:000267533800009
  • scopus:67650034260
  • pmid:19514750
ISSN
0743-7463
DOI
10.1021/la900853e
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
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db75b6ca-c783-429c-9541-b7638de8f48c (old id 1461476)
date added to LUP
2016-04-01 12:37:29
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2021-08-25 04:21:39
@article{db75b6ca-c783-429c-9541-b7638de8f48c,
  abstract     = {Confronting grand canonical titration Monte Carlo simulations (MC) with recently published titration and charge reversal (CR) experiments on silica surfaces by Dove and Craven (Dove, P. M.; Craven, C. M. Geochim. Cosmochim. Acta 2005, 69, 4963-4970) and van der Heyden et al. (van der Heyden, F. H. J.; Stein, D.; Besteman, K.; Lemay, S. G.; Dekker, C. Phys. Rev. Lett. 2006, 96, 224502), we show that ion-ion correlations quantitatively explain why divalent counterions strongly promote surface charge which, in turn, eventually causes a CR. Titration and CR results from simulations and experiments are in excellent agreement without any fitting parameters. This is the first unambiguous evidence that ion-ion correlations arc instrumental in the creation of highly charged surfaces and responsible for their CR. Finally, we show that charge correlations result in "anomalous" charge regulation in strongly coupled conditions in qualitative disagreement with its classical treatment.},
  author       = {Labbez, Christophe and Jönsson, Bo and Skarba, Michal and Borkovec, Michal},
  issn         = {0743-7463},
  language     = {eng},
  number       = {13},
  pages        = {7209--7213},
  publisher    = {The American Chemical Society (ACS)},
  series       = {Langmuir},
  title        = {Ion-Ion Correlation and Charge Reversal at Titrating Solid Interfaces},
  url          = {http://dx.doi.org/10.1021/la900853e},
  doi          = {10.1021/la900853e},
  volume       = {25},
  year         = {2009},
}