A novel differential equation approach to modeling ion size effects in the diffuse double layer

Smagala, Thomas G.; Fawcett, W. Ronald

doi:10.1016/j.jelechem.2006.07.041

Cited by 3 publications

(6 citation statements)

References 44 publications

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“…The full mathematical definitions of these quantities are shown in previous work. 10,14,15,19 We found earlier 1,2 that the quantities Ξ 0 and Η 0 are well-represented by simple analytical functions, and It will be shown later that these same expressions work equally well in the present series approach.…”

Section: Introductionsupporting

confidence: 60%

“…The short-range direct correlation function, which is decomposed into a hard-sphere contribution, C hs ( x ), and an electrostatic contribution, C es ( x ), is assumed to be given by the bulk MSA. The full mathematical definitions of these quantities are shown in previous work. ,,, We found earlier 1,2 that the quantities Ξ 0 and Η 0 are well-represented by simple analytical functions, and It will be shown later that these same expressions work equally well in the present series approach.…”

Section: Introductionmentioning

confidence: 69%

“…A variety of different and more accurate double layer theories exist. − The series approach used here is derived from the hypernetted chain approximation integral equation, ,, as applied to symmetric electrolytes. The term symmetric refers to the equal and opposite charges on the cations and anions.…”

Section: Introductionmentioning

confidence: 99%

“…Once again, GC theory predicts a single curve, whereas the series approach shows branching dependent upon concentration and ion size. More sophisticated theories of the diffuse layer [14][15][16][17][18][19] and experimental data 5 suggest that C ˜d at the pzc varies with both concentration and ion size. Table 2 shows how C ˜d (pzc) varies over five different concentrations in the series approach, calculated by means of eq 26.…”

Section: Introductionmentioning

confidence: 99%

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Series Approach to Modeling Ion Size Effects for Symmetric Electrolytes in the Diffuse Double Layer

Smagala

Fawcett

2007

J. Phys. Chem. B

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An analytical model is developed for the potential drop and differential capacity across the diffuse layer which considers the effects of ion size on these properties. For symmetric electrolytes, this potential drop is expressed in terms of a cubic polynomial in the corresponding estimate in the Gouy-Chapman theory. Optimal polynomial coefficients and model validation for 1:1 and 2:2 electrolytes are provided by fits of Monte Carlo data obtained for a restricted electrolyte in a primitive solvent. Simple relationships between these coefficients and parameters commonly associated with the mean spherical approximation are obtained. It is shown that the series approach accurately describes potential drops and differential capacities of the diffuse layer for 1:1 and 2:2 electrolytes for the chosen assumptions.

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Section: Introductionsupporting

confidence: 60%

Section: Introductionmentioning

confidence: 69%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Series Approach to Modeling Ion Size Effects for Symmetric Electrolytes in the Diffuse Double Layer

Smagala

Fawcett

2007

J. Phys. Chem. B

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“…Smagala and Fawcett [1] (SF) consider a model double layer that consists of a restricted primitive model (RPM) electrolyte near a smooth hard charged electrode with no dielectric boundaries. The primitive model (PM) electrolyte consists of charged hard sphere ions in a dielectric continuum, whose dielectric constant is , that represents the solvent.…”

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confidence: 99%

Comment on the differential equation of Smagala and Fawcett

Henderson

2007

Journal of Electroanalytical Chemistry

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Looking deeper into the structure of mixed electric double layers near the point of zero charge

Wang

Xie

Liang

et al. 2012

The Journal of Chemical Physics

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Molecular simulations have been carried out using the Metropolis Monte Carlo approach to investigate the structure of planar electric double layers containing counterion mixture within the framework of the unrestricted primitive model. The results reveal that near the point of zero charge, the rise of monovalent salt drastically elevates the collapse of ions regardless of their polarity. In particular, we fail to observe the formation of a strongly correlated liquid in the first counterion layer due to favorable entropic effects, in contrast to the early data from molecular dynamics simulations [corrected] for a spherical electric double layer [R. Messina, E. González-Tovar, M. Lozada-Cassou, and C. Holm, Europhys. Lett. 60, 383 (2002)]. Moreover, the large size of coions is found to be a pivotal factor in determining the reversal of electrophoretic mobility. On the other hand, the repulsive image charge forces thoroughly annihilate this peculiar reversal of mobility within the investigated scope of concentrations, but exert no effect on the emergence of charge reversal. These findings highlight potential applications of coion's characteristics to control gene delivery and colloidal stability as well as to design viral packing and polyelectrolyte self-assembly.

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A novel differential equation approach to modeling ion size effects in the diffuse double layer

Cited by 3 publications

References 44 publications

Series Approach to Modeling Ion Size Effects for Symmetric Electrolytes in the Diffuse Double Layer

Series Approach to Modeling Ion Size Effects for Symmetric Electrolytes in the Diffuse Double Layer

Comment on the differential equation of Smagala and Fawcett

Looking deeper into the structure of mixed electric double layers near the point of zero charge

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