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Software
that
Clarifies, not Confounds
In developing MINEQL+, it was important that everything be as visual as
possible. If you download some of the freeware models that are
available, you will find they often obscure the assumptions that go
into running the calculation. It's great if a program has a
state-of-the-art thermodynamic database, but why should you leave it to
faith that it is being applied correctly? In MINEQL+, all chemical
reaction data is visible. MINEQL+ has a Tableau
tool that allows you to add, delete, edit or just review all
reaction data prior to running a calculation. This is a very powerful
feature. It turns MINEQL+ from a model (where you
accept other people's assumptions) to a modeling system
(where you have full control of the assumptions).
The concept of visualization was also important when dealing with
output. MINEQL+ allows you to plot any chemical species (up to 10 at a
time) versus any independent variable (such as pH). So you can easily
generate logC-pH diagrams, alpha-distributions (ion fractions),
solubility plots, titration curves, or sensitivity plots. See some
example output plots
here.
I'm not going to go into all of MINEQL+'s
features. You can browse this website for more of that. The point I'd
like you to take away here is that good software should help you focus
on the subject it addresses (in our case, chemical equilibrium) and not
provide a technological impediment. All too often, we as human beings
force ourselves to adapt to technology that is poorly designed or
ill-conceived.
A great deal of work has gone into creating MINEQL+. The DOS version
was first available in 1992 and since that time I have received a lot
of user feedback. This helped me understand the broader ways that
people use chemical equilibrium calculations. The program has been
available on the web since 1995 and in that time it has been used in
over 500 colleges and universities to teach courses in aquatic
chemistry, soil chemistry, chemical cycling, and geochemistry. In 1996,
we started developing the Windows version. After 2.5 years of
improvements to the numerical engine, user interface and documentation,
MINEQL+ is not only easier to use, but more stable, robust and
numerically powerful. In
2002, we updated the thermodynamic data to not only be compatible with
the USEPA standard, but also documented all the reaction data and its
published references. And in 2007,
we have made the jump to 32-bit architecture that is compatible with
Windows Vista and beyond.
If you are serious about performing chemical equilibrium calculations,
either as a teaching tool or in research, please consider purchasing
MINEQL+. It will practically make aquatic chemistry a pleasure.
Click
here if you are
interested in purchasing MINEQL+ or seeing exceptions for academic
licenses.
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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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