ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Recent application of the reference hypernetted-chain theory to the calculation of the structure of electrical double layers in wholly molecular models of aqueous electrolytes [J. Chem. Phys. 90, 4513 (1989)] is extended to NaCl solutions. The strong interaction of the small Na+ ion with the solvent molecules leads to a number of novel features, notably a very high adsorption of Na+ into a region about 4 A(ring) from the surface next to the first solvent layer. This is sufficient to produce a positive potential of zero charge of about 29 mV and to cause the effective surface charge experienced by the diffuse layer to be positive even when the surface carries a substantial negative charge. In most cases, however, the surface potential is found to be remarkably insensitive to the details of the structure of the double layer for a given surface charge.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.457404
