Computer Science
Scientific paper
Jun 2007
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007gecoa..71.2680t&link_type=abstract
Geochimica et Cosmochimica Acta, Volume 71, Issue 11, p. 2680-2698.
Computer Science
7
Scientific paper
Recent isopiestic studies of the Fe2(SO4)3 H2SO4 H2O system at 298.15 K are represented with an extended version of Pitzer’s ion interaction model. The model represents osmotic coefficients for aqueous {(1 - y)Fe2(SO4)3 + yH2SO4} mixtures from 0.45 to 3.0 m at 298.15 K and 0.0435 ⩽ y ⩽ 0.9370. In addition, a slightly less accurate representation of a more extended molality range to 5.47 m extends over the same y values, translating to a maximum ionic strength of 45 m. Recent isopiestic data for the system at 323.15 K are represented with the extended Pitzer model over a limited range in molality and solute fraction. These datasets are also represented with the usual “3-parameter” version of Pitzer’s model so that it may be incorporated in geochemical modeling software, but is a slightly less accurate representation of thermodynamic properties for this system. Comparisons made between our ion interaction model and available solubility data display partial agreement for rhomboclase and significant discrepancy for ferricopiapite. The comparisons highlight uncertainty remaining for solubility predictions in this system as well as the need for additional solubility measurements for Fe3+-bearing sulfate minerals. The resulting Pitzer ion interaction models provide an important step toward an accurate and comprehensive representation of thermodynamic properties in this geochemically important system.
McLennan Scott M.
Smirnov Alexander
Tosca Nicholas J.
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