Geochemical Modeling Of Aqueous Systems
EQ3/6 is a software package for geochemical modeling of aqueous systems. This description pertains to version 7.2b. It addresses aqueous speciation, thermodynamic equilibrium, disequilibrium, and chemical kinetics. The major components of the package are EQ3NR, a speciation-solubility code, and EQ6 a reaction path code. EQ3NR is useful for analyzing groundwater chemistry data, calculating solubility limits, and determining whether certain reactions are in states of equilibrium or disequilibrium. It also initializes EQ6 calculations. EQ6 models the consequences of reacting an aqueous solution with a specified set of reactants (e.g., minerals or waste forms). It can also model fluid mixing and the effects of changes in temperature. Each of five supporting data files contain both standard state and activity coefficient-related data. Three support the use of the Davies or B-dot equations for the activity coefficients; the other two support the use of Pitzer''s equations. The temperature range of the thermodynamic data on the data files varies from 25 degrees C only to 0-300 degrees C.
- Short Name / Acronym:
- EQ3/6 V7.2B; 000324IBMPC00
- Version:
- 00
- Programming Language(s):
- Medium: X; OS: DOS 6.2 or later with MicroSoft Windows 3.1 or later. A Windows interface is not provided; the essential feature of Windows 3.1 is its memory manager.; Compatibility: IBM 486
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- DOE/RW
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 1230159
- Country of Origin:
- United States
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