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?
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)
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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