Joint European Thermodynamic Database for Environmental Modelling
EU Concerted Action FI4W-CT96-0029
in the framework of the
Nuclear Fission Safety Programme
Coordinator: Prof. Jae-Il Kim, FZ Karlsruhe (INE) / Germany
Data Bases
Modelling Software
Geochemical Speciation
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EQ3/6 - Program description from LLNL.
Additionally, you can inform about some useful
tools for performing pH-, Eh-, or concentration scans with EQ3/6
and download them. There is also a collection of
tips and remarks available.
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PHREEQC home page at U.S.G.S., which gives also details of various code
development lines, GUIs, and couplings to other software.
At the Mining Academy in Freiberg / Germany you find some
tools for PHREEQE. There is a form-based user-interface,
WEB-PHREEQ for remote calculations
(Department of Geosciences, North Dakota State University). Vincent Post maintains
PHREEQC for Windows, a 32 bit Windows version of the geochemical model
PHREEQC-2. The NEA software data base describes
RIPP2 - another user-friendly interface for the geochemical modelling
code PHREEQE.
There is also a version adapted to Geochemical calculations in brines, called
PHRQPITZ
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HYDRAQL page, managed by George Redden at Stanford
- MINTEQA2 from the U.S. EPA:
Program description plus FTP access to the
PC version 3.11 and the
UNIX version 3.12 beta.
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MINEQL+ Win95-GUI interface to MINEQL-successor from W.Schecher
(ERS - Environmental Research Software, Hallowell, ME). Cost: 500 USD
There is also an older DOS version available for free.
-
FACT Facility for the Analysis of Chemical Thermodynamics,
by the Centre for Research in Computational Thermochemistry (CRCT)
at the University Montréal
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CHESS allows to simulate the equilibrium state of complex solutions
including minerals, colloids, organics and gases. It comes with Java-based
GUI (JCHESS) and graphing tool (JPLOT). Cost: 2900 Euro
-
CHEMSAGE from RWTH Aachen / Germany. Cost: 2495 USD
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EQS4WIN Chemical Equilibrium Software
by MathTrek. Cost: 698 USD.
-
HSC Chemistry from Outokumpu / Finland. Cost: 595 USD
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The Geochemist's Workbench® from University of Illinois at Urbana-Champaign.
Cost: 2900 USD.
-
THERMO by Rodney Jones (Pyrometallurgy Division, Mintek) in
Randburg, South Africa. Cost: 1000 USD.
Coupled Transport / Reactive Transport
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CHEMTARD - Program description from NEA software data base
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OS3D / GIMRT - short description from University of Bern
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CHEMKIN (commercial) Collection of software for chemical kinetics
and transport effects
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POLLUTE and MIGRATE - 1.5D & 2D Contaminant Transport Modelling
by GAEA Technologies
Other Metalists
Last Update: November 7th, 2000
Send comments and suggestions to
brendler@fz-rossendorf.de
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