User ' S Manual for Wateq4f , with Revised Thermodynamic Data Base and Test Cases for Calculating Speciation of Major , Trace , and Redox Elements in Natural Waters. Ball & and Nordstrom D.&nbsp;Kirk, J.<nbsp>W. Technical Report U.S. Geological Survey, 1991.
User ' S Manual for Wateq4f , with Revised Thermodynamic Data Base and Test Cases for Calculating Speciation of Major , Trace , and Redox Elements in Natural Waters [pdf]Paper  abstract   bibtex   
A FORTRAN 77 version of the PL/1 computer program for the geochemical model WATEQ2, which computes major and trace element speciation and mineral saturation for natural waters, has been developed. The code WATEQ4F has been adapted to execute on an IBM PC1 or compatible microcomputer with or without an 8087, 80287 or 80387 numeric coprocessor and, if recompilation is desired, a full-featured microcomputer FORTRAN compiler. The calculation procedure is identical to WATEQ2, which has been installed on many mainframes and minicomputers. Several data base revisions have been made that include the addition of Se (-II, 0, IV, VI) and U (III, IV, V, VI) species as well as the recently published values of Nordstrom and others (1990). A new set of redox options has been introduced so that all species that would exist in a disequilibrium system can be independently calculated, or selected species can be coupled, at the desire of the user. This report provides all the reactions and references for the complete data base, instructions for program operation, and an explanation of the input and output files. Attachments contain sample output from four water analyses used as test cases, and the complete source listings for WATEQ4F, its thermodynamic data base, input data preparation program WQ4FINPT, and a batch program to run WATEQ4F. The thermodynamic mass transfer program PHREEQE and the revised version of mass balance program BALANCE (BALN INPT) also have been adapted to execute on a personal microcomputer with the same specifications as those described above.

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