Monte Carlo simulation of the double layer at an electrode including the effect of a dielectric boundary

作者: M Alawneh , D Henderson , None

DOI: 10.1080/08927020601054068

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摘要: Monte Carlo values of the density profiles and related properties double layer formed by an electrolyte near a charged electrode are reported for cases where has dielectric coefficient greater, equal, smaller than that causes surface polarization can be represented electrostatic images. As expected, compared to case there is no boundary ions attracted or repelled if greater smaller, respectively, electrolyte. This effect most pronounced stronger 2:2 electrolytes 1:1 electrolytes. For both monovalent divalent at low concentrations.

参考文章(18)
Dezsö Boda, Dirk Gillespie, Wolfgang Nonner, Douglas Henderson, Bob Eisenberg, Computing induced charges in inhomogeneous dielectric media: application in a Monte Carlo simulation of complex ionic systems. Physical Review E. ,vol. 69, pp. 046702- ,(2004) , 10.1103/PHYSREVE.69.046702
Michael Plischke, Douglas Henderson, Pair correlation functions and density profiles in the primitive model of the electric double layer The Journal of Chemical Physics. ,vol. 88, pp. 2712- 2718 ,(1988) , 10.1063/1.454001
Stanisław Lamperski, Lutful B Bhuiyan, Counterion layering at high surface charge in an electric double layer. Effect of local concentration approximation Journal of Electroanalytical Chemistry. ,vol. 540, pp. 79- 87 ,(2003) , 10.1016/S0022-0728(02)01278-0
Steven L. Carnie, Derek Y.C. Chan, Correlations in inhomogeneous Coulomb systems Molecular Physics. ,vol. 51, pp. 1047- 1070 ,(1984) , 10.1080/00268978400100681
Dezső Boda, Mónika Valiskó, Bob Eisenberg, Wolfgang Nonner, Douglas Henderson, Dirk Gillespie, The effect of protein dielectric coefficient on the ionic selectivity of a calcium channel Journal of Chemical Physics. ,vol. 125, pp. 034901- 034901 ,(2006) , 10.1063/1.2212423
G. M. Torrie, J. P. Valleau, Electrical double layers. I. Monte Carlo study of a uniformly charged surface Journal of Chemical Physics. ,vol. 73, pp. 5807- 5816 ,(1980) , 10.1063/1.440065
G. M. Torrie, J. P. Valleau, G. N. Patey, Electrical double layers. II. Monte Carlo and HNC studies of image effects Journal of Chemical Physics. ,vol. 76, pp. 4615- 4622 ,(1982) , 10.1063/1.443541
Mariana Vertenstein, David Ronis, A theory of electrolyte solutions near a polarizable surface Journal of Chemical Physics. ,vol. 87, pp. 4132- 4146 ,(1987) , 10.1063/1.452918
M. Gouy, Sur la constitution de la charge électrique à la surface d'un électrolyte Journal de Physique Théorique et Appliquée. ,vol. 9, pp. 457- 468 ,(1910) , 10.1051/JPHYSTAP:019100090045700
L. B. Bhuiyan, C. W. Outhwaite, D. Henderson, A modified Poisson–Boltzmann analysis of the capacitance behavior of the electric double layer at low temperatures The Journal of Chemical Physics. ,vol. 123, pp. 034704- 034704 ,(2005) , 10.1063/1.1992427