Ionic Self-Diffusion in Concentrated Aqueous Electrolyte Solutions

Dufrêche, JF and Bernard, O and Turq, P and Mukherjee, A and Bagchi, Biman (2002) Ionic Self-Diffusion in Concentrated Aqueous Electrolyte Solutions. In: Physical Review Letters, 88 (9). 095902/1-4.

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Abstract

A self-consistent microscopic theory is developed to understand the anomalously weak concentration dependence of ionic self-diffusion coefficient Dion in electrolyte solutions. The self-consistent equations are solved by using the mean spherical approximation expressions of the static pair correlation functions for unequal sizes. The results are in excellent agreement both with the known experimental results for many binary electrolytes and also with the new Brownian dynamics simulation results. The calculated velocity time correlation functions also show quantitative agreement with simulations. The theory also explains the reason for observing different Dion in recent NMR and neutron scattering experiments.

Item Type:	Journal Article
Publication:	Physical Review Letters
Publisher:	American Physical Society (APS)
Additional Information:	The DOI is currently only displayed. Copyright for this article belongs to American Physical Society (APS)
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	14 Jun 2004
Last Modified:	19 Sep 2010 04:12
URI:	http://eprints.iisc.ac.in/id/eprint/83

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