MOLECULAR DESCRIPTION OF ELECTROLYTE SOLUTION IN A CARBON
Author(s): A.Kovalenko (Institute for Molecular Science, Myodaiji, Okazaki 444--8585, Japan; Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine) , F.Hirata (E-mail: email@example.com; Institute for Molecular Science, Myodaiji, Okazaki 444--8585, Japan)
We develop a molecular theory of aqueous electrolyte solution sorbed in a nanoporous carbon aerogel electrode, based on the replica reference interaction site model (replica RISM) for realistic molecular quenched-annealed systems. We also briefly review applications of carbon aerogels for supercapacitor and electrochemical separation devices, as well as theoretical and computer modelling of disordered porous materials. The replica RISM integral equation theory yields the microscopic properties of the electrochemical double layer formed at the surface of carbon aerogel nanopores, with due account of chemical specificities of both sorbed electrolyte and carbon aerogel material. The theory allows for spatial disorder of aerogel pores in the range from micro- to macroscopic size scale. We considered ambient aqueous solution of 1 M sodium chloride sorbed in two model nanoporous carbon aerogels with carbon nanoparticles either arranged into branched chains or randomly distributed. The long-range correlations of the carbon aerogel nanostructure substantially affect the properties of the electrochemical double layer formed by the solution sorbed in nanopores.
Key words: carbon aerogel electrode, electrolyte solution, molecular theory
PACS: 61.20.Gy, 61.25.Em, 61.43.Gt, 61.25.-f, 61.20.Qg, 81.05.Rm
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