Title: On the contact values of the density profiles in an electric double layer using density functional theory
Author(s):

	L.B. Bhuiyan (Laboratory of Theoretical Physics, Department of Physics, University of Puerto Rico, Box 70377, San Juan, Puerto Rico 00936-8377, USA) ,
	D. Henderson (Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602-5700, USA) ,
	S. Sokołowski (Department for the Modelling of Physico-Chemical Processes, Faculty of Chemistry, MCSU, 20031 Lublin, Poland)

A recently proposed local second contact value theorem [Henderson D., Boda D., J. Electroanal. Chem., 2005, 582, 16] for the charge profile of an electric double layer is used in conjunction with the existing Monte Carlo data from the literature to assess the contact behavior of the electrode-ion distributions predicted by the density functional theory. The results for the contact values of the co- and counterion distributions and their product are obtained for the symmetric valency, restricted primitive model planar double layer for a range of electrolyte concentrations and temperatures. Overall, the theoretical results satisfy the second contact value theorem reasonably well, the agreement with the simulations being semi-quantitative or better. The product of the co- and counterion contact values as a function of the electrode surface charge density is qualitative with the simulations with increasing deviations at higher concentrations.

Key words: electric double layer, restricted primitive model, density profiles
PACS: 82.45.Fk, 61.20.Qg, 82.45.Gj

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