Coupling between bulk- and surface chemistry in suspensions of charged colloids

Publikationstyp:
Zeitschriftenaufsatz
Metadaten:
Abstract
<jats:p>The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical scheme are the acidic dissociation constants pKa, and effective sphere diameters of all involved ions. Our method allows for an ab initio calculation of colloidal bare and effective charges, at high numerical efficiency.</jats:p>
Autoren
  • M Heinen
  • T Palberg
  • H Löwen
DOI
10.1063/1.4869338
eISSN
1089-7690
ISSN
0021-9606
Ausgabe der Veröffentlichung
12
Zeitschrift
The Journal of Chemical Physics
Sprache
en
Online publication date
2014
Datum der Veröffentlichung
2014
Status
Published
Herausgeber
AIP Publishing
Herausgeber URL
http://dx.doi.org/10.1063/1.4869338
Datum der Datenerfassung
2023
Titel
Coupling between bulk- and surface chemistry in suspensions of charged colloids
Ausgabe der Zeitschrift
140

Datenquelle: Crossref

Andere Metadatenquellen:
Abstract
The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical scheme are the acidic dissociation constants pKa, and effective sphere diameters of all involved ions. Our method allows for an ab initio calculation of colloidal bare and effective charges, at high numerical efficiency.
Addresses
  • Institut für Theoretische Physik II, Weiche Materie, Heinrich-Heine-Universität Düsseldorf, 40225 Düsseldorf, Germany.
Autoren
  • M Heinen
  • T Palberg
  • H Löwen
DOI
10.1063/1.4869338
eISSN
1089-7690
Externe Identifier
  • PubMed Identifier: 24697478
Funding acknowledgements
  • DFG: SPP1296
Open access
false
ISSN
0021-9606
Ausgabe der Veröffentlichung
12
Zeitschrift
The Journal of chemical physics
Sprache
eng
Medium
Print
Paginierung
124904
Datum der Veröffentlichung
2014
Status
Published
Datum der Datenerfassung
2014
Titel
Coupling between bulk- and surface chemistry in suspensions of charged colloids.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
140

Datenquelle: Europe PubMed Central

Abstract
The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical scheme are the acidic dissociation constants pKa, and effective sphere diameters of all involved ions. Our method allows for an ab initio calculation of colloidal bare and effective charges, at high numerical efficiency.
Autoren
  • M Heinen
  • T Palberg
  • H Löwen
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/24697478
DOI
10.1063/1.4869338
eISSN
1089-7690
Ausgabe der Veröffentlichung
12
Zeitschrift
J Chem Phys
Sprache
eng
Country
United States
Paginierung
124904
Datum der Veröffentlichung
2014
Status
Published
Datum, an dem der Datensatz öffentlich gemacht wurde
2014
Titel
Coupling between bulk- and surface chemistry in suspensions of charged colloids.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
140

Datenquelle: PubMed

Abstract
The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical scheme are the acidic dissociation constants pKa, and effective sphere diameters of all involved ions. Our method allows for an ab initio calculation of colloidal bare and effective charges, at high numerical efficiency.
Autoren
  • Marco Heinen
  • Thomas Palberg
  • Hartmut Löwen
Autoren-URL
http://arxiv.org/abs/1310.7516v2
Zeitschrift
J. Chem. Phys.
Schlüsselwörter
  • cond-mat.soft
  • cond-mat.soft
Paginierung
124904
Datum der Veröffentlichung
2013
Herausgeber URL
http://dx.doi.org/10.1063/1.4869338
Datum der Datenerfassung
2013
Datum, an dem der Datensatz öffentlich gemacht wurde
2013
Titel
Coupling between bulk- and surface chemistry in suspensions of charged colloids
Ausgabe der Zeitschrift
140

Files

1310.7516v2.pdf

Datenquelle: arXiv

Autoren
  • M Heinen
  • T Palberg
  • H Löwen
DOI
10.1063/1.4869338
ISSN
0021-9606
Zeitschrift
The Journal of Chemical Physics
Artikelnummer
12
Paginierung
124904 - 124904
Datum der Veröffentlichung
2014
Datum der Datenerfassung
2020
Titel
Coupling between bulk- and surface chemistry in suspensions of charged colloids
Sub types
  • article
Ausgabe der Zeitschrift
140

Datenquelle: Manual

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