Home | Support | Overview |Research | Contact
Purchase | Download
 
Purchase MINEQL
 
Purchase  version 4.6 online
Safe, secure transactions
Use credit card or Paypal accnt.
 

 
Demo and Extras
 
Fully functional demo
Examples
Startup tutorial
 
 

Metal Interactions in the Living World
 

Here's an example. Most toxicologists looking at the effects of heavy metals on biological systems (e.g., phytoplankton or fish gill) will assume that the toxic form of most metals is the free or aquo species (Me2+). Hydrolysis products (i.e., MeOH+, Me(OH)2, Me(OH)3-, etc.) or complexes with other ligands (e.g., SO42-, PO43-, or CO32-) are generally considered to be less harmful. If you measure the pH and the total concentration of the different chemical components in your system, you could use chemical equilibrium modeling to calculate the amount of free metal ion that is present in your system.

This is a vast improvement over just reporting the total concentration of a metal in relation to biological response. By accounting for pH, all side reactions and the competition between metals for ligands, you are able to arrive at a much more insightful description of the chemical environment -- and a much greater ability to form hypotheses about how metals interact with organisms.
 



 
 
 
  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.