Thermodynamic modeling of boric acid and selected metal borate systems

A comprehensive thermodynamic model, referred to as the mixed-solvent electrolyte (MSE) model, has been applied to calculate phase equilibria, speciation, and other thermodynamic properties of selected systems that are of interest for understanding the chemistry of salt lakes and natural waters. In...

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Bibliographic Details
Published in:Pure and applied chemistry 2013-01, Vol.85 (11), p.2117-2144
Main Authors: Wang, Peiming, Kosinski, Jerzy J., Lencka, Malgorzata M., Anderko, Andrzej, Springer, Ronald D.
Format: Article
Language:English
Subjects:
Acids
borate
Borates
boric acid
Boric acids
Boron
Boron oxides
Calcium
Chlorides
Liquid-vapor equilibrium
Lithium
Lithium chloride
Magnesium
Mathematical models
Model accuracy
Organic chemistry
Phase equilibria
Salt lakes
Solid phases
Solubility
Speciation
Thermodynamic equilibrium
Thermodynamic models
Thermodynamic properties
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Summary:A comprehensive thermodynamic model, referred to as the mixed-solvent electrolyte (MSE) model, has been applied to calculate phase equilibria, speciation, and other thermodynamic properties of selected systems that are of interest for understanding the chemistry of salt lakes and natural waters. In particular, solubilities and chemical speciation have been analyzed for various boron-containing systems, which represent an important subset of solution chemistry for such applications. The model has been shown to reproduce the speciation, solubility, and vapor-liquid equilibrium (VLE) data in the boric acid + water system over wide ranges of temperature and concentration. Specifically, solubilities have been accurately represented in the full concentration range of the B + H O system ( = 0~1), which includes H BO . The accuracy of the model has also been demonstrated by calculating solubilities in various aqueous borate systems, i.e., M O + B + H O (where M = Li, Na, Ca, Mg), and their mixtures with a chloride salt or an acid (i.e., LiCl, NaCl, HCl). The model predicts the effects of chemical speciation, temperature, and concentrations of various acid, base, and salt components on the formation of competing solid phases.
ISSN:0033-4545
1365-3075
DOI:10.1351/pac-con-12-07-09