Temperature dependence of the double layer capacitance for the restricted primitive model of an electrolyte solution from a density functional approach.

نویسندگان

  • J Reszko-Zygmunt
  • S Sokołowski
  • D Henderson
  • D Boda
چکیده

We apply a different version of the density functional theory, given by Pizio, Patrykiejew, and Sokolowski [J. Chem. Phys. 121, 11957 (2004)], for a nonuniform restricted primitive model of an electrolyte solution to evaluate the temperature dependence of the capacitance of an electric double layer. We show that this theory is capable of reproducing the computer simulation data at a quantitative level. In particular, the reversal of the temperature dependence of the capacitance at low temperatures is predicted. This phenomenon has been difficult to predict from theory. Further, this theory also leads to an accurate description of the double layer structure.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 122 8  شماره 

صفحات  -

تاریخ انتشار 2005