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The Ionization Constant of Water over Wide Ranges of Temperature and Density

Bandura, Andrei V., Lvov, Serguei N.·2006·Journal of Physical and Chemical Reference Data

Abstract

A semitheoretical approach for the ionization constant of water, KW, is used to fit the available experimental data over wide ranges of density and temperature. Statistical thermodynamics is employed to formulate a number of contributions to the standard state chemical potential of the ionic hydration process. A sorption model is developed for calculating the inner-shell term, which accounts for the ion–water interactions in the immediate ion vicinity. A new analytical expression is derived using the Bragg–Williams approximation that reproduces the dependence of a mean ion solvation number on the solvent chemical potential. The proposed model was found to be correct at the zero-density limit. The final formulation has a simple analytical form, includes seven adjustable parameters, and provides good fitting of the collected KW data, within experimental uncertainties, for a temperature range of 0–800 °C and densities of 0–1.2 g cm−3.

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Metadata

Authors
Bandura, A. V., & Lvov, S. N.
Venue
Journal of Physical and Chemical Reference Data
Published
2005-12-08
Volume
35
Issue
1
Pages
15-30
ISSN
  • 0047-2689 (ISSN-L)
  • 1529-7845
OpenAlex
W2013783818
Cited by
640
References
0
FWCI
2.01
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: The Ionization Constant of Water over Wide Ranges of Temperature and Density. https://app.cochat.ai/papers/10.1063/1.1928231
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Bandura, A. V., & Lvov, S. N. (2006). The Ionization Constant of Water over Wide Ranges of Temperature and Density. Journal of Physical and Chemical Reference Data. https://doi.org/10.1063/1.1928231

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