title: Structure of an electric double layer containing a 2:2 valency dimer electrolyte.
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.
authors.affiliation: Laboratory of Theoretical Physics, Department of Physics, University of Puerto Rico, San Juan, PR 00936-8377, USA.
authors.forename: Whasington
authors.initials: W
authors.lastname: Silvestre-Alcantara
authors.affiliation: Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602-5700, USA.
authors.forename: Douglas
authors.initials: D
authors.lastname: Henderson
authors.affiliation: Department of Chemical and Environmental Engineering, University of California, Riverside, CA 92521-0425, USA.
authors.forename: Jianzhong
authors.initials: J
authors.lastname: Wu
authors.affiliation: Department of Physical Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, 61-614 Poznań, Poland.
authors.forename: Monika
authors.initials: M
authors.lastname: Kaja
authors.affiliation: Department of Physical Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, 61-614 Poznań, Poland.
authors.forename: Stanisław
authors.initials: S
authors.lastname: Lamperski
authors.affiliation: Laboratory of Theoretical Physics, Department of Physics, University of Puerto Rico, San Juan, PR 00936-8377, USA. Electronic address: beena@beena.uprrp.edu.
authors.forename: Lutful Bari
authors.initials: LB
authors.lastname: Bhuiyan
keywords: Density functional theory; Electric double layer; Monte Carlo simulations