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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.
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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. | |
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