PROGRAMS FOR MODELING SOLVENT EXTRACTION SYSTEMS
by: C. F. Baes, Jr.
|SXLSQI: The FORTRAN program SXLSQI extends the earlier modeling programs SXLSQ and SXLSQA for the interpretation of solvent extraction equilibrium data by allowing the estimation of activity in both phases and by including complexation in the aqueous phase. Activity coefficients in the aqueous phase are estimated by the Pitzer treatment and activity coefficients in the organic phase are estimated by use of the regular solution model of Hildebrand and Scott. Charged species are also allowed in the organic phase to take into account systems where dissociation takes place. This program provides for the first time a tool for analyzing extraction data over a broad range of conditions not normally subject to detailed interpretation and disentangling the effect of species formation from activity coefficient variations.|
|Compiled version of SXLSQI for Macintosh (209 Kb)||SXLSQI Manual (in PDF format)|
|FORTRAN source code for SXLSQI (260 Kb)||Sample data and parameter files for SXLSQI|
SXFIT: The FORTRAN program SXFIT does everything SXLSQI does, but with greater flexibility. Perhaps its greatest advantage is that SXFIT allows systems with any number of components to be modeled, instead of the limits imposed by SXLSQI. SXFIT also allows for oxidation and reduction of the species. SXFIT now comes with helper applications to aid the user in the preparation of data cards and parameter files. As might be anticipated, the numerous changes also dramatically affect how the program is run. Even experienced SXLSQI users will find many challenges in running SXFIT. It is strongly recommended that all new users of SXFIT read the accompanying help file (SXFITHelp.pdf).
To decompress the files linked below, download and install the free Stuffit Expander from Alladin Systems. If you experience problems downloading either of these files, please contact Lætitia H. Delmau.
|Everything you need to run SXFIT on a G3 or G4 Macintosh (408 Kb, posted March 19, 2002)||FORTRAN source codes for SXFIT and its helper applications (108 Kb, revised March 17, 2002)|
[ Chemical Separations Group |
Chemical Sciences Division |
Oak Ridge National Laboratory |
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