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A local HNC/HNC approximation for the 2:2-RPM electrolytes at a charged wall (1986)

D'Aguanno, B. ; Nielaba, P. ; Alts, T. ; [et al.]

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 85 (1986), S. 3476-3481

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: A local HNC/HNC approximation is proposed and applied to 2:2 electrolytes near a charged hard wall. The results are compared with Monte Carlo data and other theories such as HNC/HNC, HNC/MSA, BGY, and MPB5. A remarkable improvement of the density profiles and of the diffuse layer potential is obtained. We show that the HNC closure for the ion–ion correlations, when used in the local scheme, always gives better results than those obtained from the MSA closure. The necessary algorithm for solving the local HNC/HNC equations is also presented.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.450971

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