Corrected Debye−Hückel Theory of Salt Solutions: Size Asymmetry and Effective Diameters
| Autor: | and Elisabet Ahlberg, Magnus Gunnarsson, Sture Nordholm, Zareen Abbas |
|---|---|
| Rok vydání: | 2002 |
| Předmět: |
Physics
Basis (linear algebra) media_common.quotation_subject Monte Carlo method Thermodynamics Asymmetry Surfaces Coatings and Films Ion Condensed Matter::Soft Condensed Matter Range (mathematics) symbols.namesake Physics::Plasma Physics Computational chemistry Debye–Hückel equation Excluded volume Materials Chemistry symbols Physical and Theoretical Chemistry van der Waals force media_common |
| Zdroj: | The Journal of Physical Chemistry B. 106:1403-1420 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/jp012054g |
| Popis: | A recently developed extension of the Debye−Huckel theory, the corrected Debye−Huckel theory, is applied to salt solutions as described in Monte Carlo (MC) simulations and experiment. On the basis of modern density functional analysis, the theory accounts for both long-range electrostatic interactions in a linear response approximation and short-range ion size effects by a generalized van der Waals analysis. In its simplest implementation, the corrected Debye−Huckel restricted primitive model (CDH−RPM) theory, all ions are taken to be of the same diameter d in which case the excluded volume effects vanish in the linear response domain. Comparison with MC simulations verify the a priori application of the CDH theory to RPM electrolytes over a wide range of concentrations. Here, we investigate the relationship between the appropriate effective diameter d and the real diameters d1 and d2 in simulated binary salt solutions. Moreover, in the experimental studies of salt solutions, the relationship between d an... |
| Databáze: | OpenAIRE |
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