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How Can Chemical Equilibrium

Help You?

In studying aquatic chemistry, there are many applications for chemical equilibria.  For instance, it is possible to be looking into the mechanisms that control the movement of solutes in groundwater or surface water; or one could be interested in controlling the pH, alkalinity or corrosivity of drinking water; or one may be interested in the toxicological effects of dissolved metals on the biota. Actually, there are so many possible applications of chemical equilibria to aqueous systems that it would be hard to list them all.

For a person interested in aquatic systems (or soil systems, or marine systems, for that matter) a few assumptions hold true: Dissolved ions in solution interact with each other (form complexes), interact with particulate surfaces (adsorb) and possibly form solid phases (precipitate). In a typical natural system, say a stream water, there may be 10 to 20 major chemical components dissolved in solution. These components have the potential to form hundreds of dissolved chemical complexes, solids phases or adsorbed species. Some of these chemical species may be biologically active or even toxic while others may be inert. All of this depends on factors like the total concentration of each component, the pH, pe, ionic strength and temperature.

This is where calculating chemical equilibrium is helpful. As the name implies, chemical equilibrium assumes that all reactions have gone to completion and are in equilibrium with one another. So time dependent reactions -- those reactions that have kinetic restrictions -- are not addressed in this approach. In essence, the chemical equilibrium approach provides you with a thermodynamic snapshot of your system: the pH, ionic strength, the distribution of dissolved chemical species, how much solid phase formed, etc. This is the type of information that is critical to understanding what happens chemically in water.



 
 
 
  Sept-2007 Vista compatible, 32-bit, version 4.6 is released.

May - 2002 Version 4.5: Thermodynamic database is upgraded, documented and conforms to USEPA standards.  All reaction data is referenced.

Sept - 1998 Version 4.0: Windows, 16-bit version released.  Numerical stability locked in for wide range of chemical conditions.  New report writing features. Titrations, sensitivity analysis, processing of huge datasets now possible.

June - 1992 Version 3.0: DOS, 8-bit version is released. First spatial user interface for MINEQL. Tableau view of input data.  Object oriented management of output data to fit any application. MINTEQ data is included.

Prior to our work:

Late 1980's USEPA combines MINEQL numerical code and the USGS's WATEQ thermodynamic  data to produce MINTEQ.

1987 At MIT, Dave Dzombak collects Two Layer surface complexation data for a wide range of aqueous ions on FeO

Early 1980's The USGS develops a chemical equilibrium program called WATEQ. Their work continues throughout the decade to provide critical review of thermodynamic data.

1980 MINEQL "+Stanford" (because of the work at Stanford University) provides electrostatic surface complexation reactions within MINEQL.

1975 MINEQL is developed at MIT, by John Westall and Francois Morel. The FORTRAN program uses a generic tableau approach to describe equilibria and mass balance in aqueoous systems.

1972 REDEQL is developed by James Morgan and Francois Morel.  First chemical equilibrium program with a vast scope of application. Becomes the prototype for MINEQL.