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Silvestre-Alcantara W, Henderson D, Wu J, et al. Structure of an electric double layer containing a 2:2 valency dimer electrolyte. J Colloid Interface Sci. 2014;449:175-9doi: 10.1016/j.jcis.2014.11.070.
Silvestre-Alcantara, W., Henderson, D., Wu, J., Kaja, M., Lamperski, S., & Bhuiyan, L. B. (2015). Structure of an electric double layer containing a 2:2 valency dimer electrolyte. Journal of colloid and interface science, 449175-9. https://doi.org/10.1016/j.jcis.2014.11.070
Silvestre-Alcantara, Whasington, et al. "Structure of an electric double layer containing a 2:2 valency dimer electrolyte." Journal of colloid and interface science vol. 449 (2015): 175-9. doi: https://doi.org/10.1016/j.jcis.2014.11.070
Silvestre-Alcantara W, Henderson D, Wu J, Kaja M, Lamperski S, Bhuiyan LB. Structure of an electric double layer containing a 2:2 valency dimer electrolyte. J Colloid Interface Sci. 2015 Jul 01;449:175-9. doi: 10.1016/j.jcis.2014.11.070. Epub 2014 Dec 05. PMID: 25529333.
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J Colloid Interface Sci. 2015 Jul 01;449:175-9. doi: 10.1016/j.jcis.2014.11.070. Epub 2014 Dec 05.

Structure of an electric double layer containing a 2:2 valency dimer electrolyte.

Journal of colloid and interface science

Whasington Silvestre-Alcantara, Douglas Henderson, Jianzhong Wu, Monika Kaja, Stanisław Lamperski, Lutful Bari Bhuiyan

Affiliations

  1. Laboratory of Theoretical Physics, Department of Physics, University of Puerto Rico, San Juan, PR 00936-8377, USA.
  2. Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602-5700, USA.
  3. Department of Chemical and Environmental Engineering, University of California, Riverside, CA 92521-0425, USA.
  4. Department of Physical Chemistry, Adam Mickiewicz University in Pozna?, Umultowska 89b, 61-614 Pozna?, Poland.
  5. Laboratory of Theoretical Physics, Department of Physics, University of Puerto Rico, San Juan, PR 00936-8377, USA. Electronic address: [email protected].

PMID: 25529333 DOI: 10.1016/j.jcis.2014.11.070

Abstract

The structure of a planar electric double layer formed by a 2:2 valency dimer electrolyte in the vicinity of a uniformly charged planar hard electrode is investigated using density functional theory and Monte Carlo simulations. The dimer electrolyte consists of a mixture of charged divalent dimers and charged divalent monomers in a dielectric continuum. A dimer is constructed by two tangentially tethered rigid spheres, one of which is divalent and positively charged and the other neutral, whereas the monomer is a divalent and negatively charged rigid sphere. The density functional theory reproduces well the simulation results for (i) the singlet distributions of the various ion species with respect to the electrode, and (ii) the mean electrostatic potential. Comparison with earlier results for a 2:1/1:2 dimer electrolyte shows that the double layer structure is similar when the counterion has the same valency.

Copyright © 2014 Elsevier Inc. All rights reserved.

Keywords: Density functional theory; Electric double layer; Monte Carlo simulations

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