Structure and capacitance of an electric double layer formed by fused dimer cations and monomer anions: a Monte Carlo simulation study

作者：Silvestre Alcantara Whasington; Kaja Monika; Henderson Douglas; Lamperski Stanislaw; Bhuiyan Lutful Bari

来源：Molecular Physics, 2016, 114(1): 53-60.

DOI：10.1080/00268976.2015.1083132

• Planar electric double layer
• Monte Carlo simulation
• fused dimer electrolyte

Canonical Monte Carlo simulation results are obtained for the structure and differential capacitance of a planar electric double layer consisting of fused dimer cations and monomer anions in a dielectric continuum (solvent). The physical double layer model is mimicked by a uniformly charged, non-polarisable, planar electrode next to an electrolyte consisting of positively charged fused dimers and negatively charged monomer rigid spheres in a continuum dielectric. The fused dimer comprises two same sized hard spheres that are fused into one another, one of the hard spheres being charged and the other neutral. The various electrode-particle species singlet distribution functions and the mean electrostatic potential profiles are obtained for 1:1, 2:2, 2:1, and 1:2 valency systems for different degrees of fusion. The differential capacitance as a function of the electrode surface charge density is evaluated for a 1:1 system. Comparison of these results are made with those corresponding to the situation when the dimer spheres are simply tangentially tethered. It is seen that the fused dimer influences the double layer structure and capacitance substantially for a negatively charged electrode but less so for a positively charged electrode.
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• 出版日期2016-1-2