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The Ionization Constant of Water over Wide Ranges of Temperature and Density
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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Cited by
Peterson, A. A., Vogel, F., Lachance, R. P., Fröling, M., Antal, Jr., & Tester, J. W. (2008) · Energy & Environmental Science · doi:10.1039/b810100k · Cited by 2,132
Sharma, H. B., Sarmah, A. K., & Dubey, B. (2020) · Renewable and Sustainable Energy Reviews · doi:10.1016/j.rser.2020.109761 · Cited by 501
Luo, C., Wang, S., & Liu, H. (2007) · Angewandte Chemie International Edition · doi:10.1002/anie.200702661 · Cited by 499
Hydrothermal carbonization: Fate of inorganics
Reza, M. T., Lynam, J. G., Uddin, M. H., & Coronella, C. J. (2013) · Biomass and Bioenergy · doi:10.1016/j.biombioe.2012.12.004 · Cited by 492
Smith, A. M., Singh, S., & Ross, A. B. (2016) · Fuel · doi:10.1016/j.fuel.2015.12.006 · Cited by 359
Metadata
- Authors
- Bandura, A. V., & Lvov, S. N.
- Venue
- Journal of Physical and Chemical Reference Data
- Publisher
- AIP Publishing
- 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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