Chemical Modeling of Aqueous Systems II by Daniel C. Melchior, R. L. Bassett

By Daniel C. Melchior, R. L. Bassett

Chemical Modeling in Aqueous structures

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ACS Symposium Series; American Chemical Society: Washington, DC, 1990. 07 34 CHEMICAL MODELING O F AQUEOUS SYSTEMS II Table II. Association reaction, stability constant, ion-activity-coefficient equation, and ionactivity-coefficient parameters for each aqueous species for the WATEQ, amended WATEQ, and fit aqueous models [Amended WATEQ model: WATEQ, indicates parameters from WATEQ model were used; Fit, indicates parameters from fit model were used in the amended model. Eqn: Number of ion-activitycoefficient equation in text, a, b, and c: Ion-activity-coefficient parameters for the specified ionactivity-coefficient equation.

Acta 1984, 48, 723-758. H. Electrolyte Solutions 1965; second edition, Butterworths, London. A. J. Soln. Chem. 1973, 2, 173-184. W. J. Soln. Chem. 1982, 11, 415-422. S. Acc. Chem. Res. 1977, 10, 371-377. S. J. Soln. Chem. 1975, 4, 249-265. H. Am. J. Sci. 1974, 274, 1199-1261. E. Critical Stability Constants, Volume 4, Inorganic Complexes 1976; Plenum Press, New York. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1990. Chapter 3 Ion-Association Models and Mean Activity Coefficients of Various Salts David L.

ACS Symposium Series; American Chemical Society: Washington, DC, 1990. 2. ch002 We have developed the basic equations for applying a thermodynamically consistent hydration correction for both pure aqueous electrolytes and mixtures of aqueous electrolytes. A thermodynamically consistent method of using a compositionally averaged ion size parameter is included in this treatment. A simple hydration theory model using the DHC version of DebyeHuckel theory and ignoring ion pairing works rather well for pure 1:1 aqueous electrolytes and offers encouragement to the development of more sophisticated models that might be useful in geochemical modeling calculations.

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