Aqueous and Solution Geochemistry Computer Codes

More than 50 computer codes that calculate chemical equilibrium in natural waters or similar aqueous systems are described in the literature.122 Most are not suitable for modeling the deep-well

The ecosystem i?

The ecosystem

Physical model

Physical model

Math model

Number of compounds -^

FIGURE 20.8 Relative tradeoffs between physical (microcosm) and mathematical models as affected by effluent complexity. (From U.S. EPA, Assessing the Geochemical Fate of Deep-Well-Injected Hazardous Waste: A Reference Guide, EPA/625/6-89/025a, U.S. EPA, Cincinnati, OH, June 1990.)

injection of hazardous wastes, because they are limited to simulating reactions under one or more of the following conditions:

1. Ambient temperatures (25°C)

2. Low pressures (1 atm)

3. Relatively low salinities

When the simulation of deep-well temperatures, pressures, and salinities is imposed as a condition, the number of codes that may be of value is reduced to a much smaller number. Nordstrom and Ball121 recommend six references as covering virtually all the mathematical, thermodynamic, and computational aspects of chemical-equilibrium formulations (see references 123-128). Recent references on modeling include references 45, 63, 70, 129, and 130.

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