Geochemical modeling software

The following is a list, current at the time of publication, of sources of some of the most popular geochemical modeling software programs and packages. Some of the packages are available for download at no cost, whereas others may be licensed for a fee. 

A further problem facing the user of geochemical modeling software is that no code, even EQ3/6, currently includes provision for all of the possible phenomena that may occur in reacting systems of interest. Beyond that, the fundamental scientific data base to support adequate modeling of all of these phenomena under all possible conditions of interest is incomplete. New fundamental measurements may be necessary to model many systems and scenarios of interest. 

A more precise question (Bethke, 1992) is the subject of this chapter in geochemical modeling is there but a single root to the set of governing equations that honors a given set of input constraints We might call such a property mathematical uniqueness, to differentiate it from the broader aspects of uniqueness. The property of mathematical uniqueness is important because once the software has discovered a root to a problem, the modeler may abandon any search for further solutions. There is no concern that the choice of a starting point for iteration has affected the answer. In the absence of a demonstration of uniqueness, on the other hand, the modeler cannot be completely certain that another solution, perhaps a more realistic or useful one, remains undiscovered. 

Wolery, T. J., 1992a, Eq3/eq6, a software package for geochemical modeling of aqueous systems, package overview and installation guide (version 7.0). Lawrence Livermore National Laboratory Report UCRL-MA-110662 (1). 

Wolery TJ (1992a) EQ 3/6, A software package for geochemical modeling of aqueous systems Package overview and installation guide (Ver.7.0).-UCRL - MA - 110662 Pt I Lawrence Livermore Natl. Lab... 

Wollery T. J. (1992) EQ3/6, A software package for geochemical modelling of aqueous systems package... 

Current Status of the EQ3/6 Software Package for Geochemical Modeling... 

Wolery T.J. (1993) EQ 3/6, A Software Package for Geochemical Modeling of Aqueous Systems. Lawrence Livermore National Laboratory, California, 247 pp. 

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