Environmental Modeling: Software, Databases, Projects

Environmental Modeling:
Software, Databases, Projects, Books

If not stated otherwise the links offer their information in English

Geochemical Modeling - Chemical Speciation

EQ3/6 - licencing procedure from LLNL - US$ 500 for non-US academic institutions.
Additionally, you can inform yourself 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.
PHREEQC home page at U.S.G.S., which gives also details of various code development lines, GUIs, and couplings to other software. The most recent version is 2.15. 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. There is also a separate graphical interface to PHREEQC, PHREEQCI from U.S.G.S.
MINTEQA2 from the U.S. EPA, current version is 4.03 of May 2006.
New: Visual Minteq from KTH Stockholm, current version is 2.53 of October 2007.
and MINTEQA2 for Windows from Allison Geoscience Consultants, Inc.

CHEAQS Pro by Wilko Verweij (NL)
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). Maintained by Jan van der Lee. Cost: 2900 Euro (Console Mode Version of CHESS is available for free for Linux users).
ECOSAT by Meindert Keizer (NL), version 4.8 includes extensive sorption module and 1-dimensional transport. Cost: 250 Euro ex sales taxes.
Geochemist's Workbench® from the University of Illinois at Urbana-Champaign. Cost: 800 USD for the essential package and 3500 USD for the standard package (including reaction paths).
HSC Chemistry® from Outotec Research Oy / Finland. Cost: 1190 Euro.
HYDRA and MEDUSA by Ignasi Puigdomenech (SE)
JESS by Peter M May (Murdoch University, Australia) and Kevin Murray (Insight Modelling Services, Garsfontein East, South Africa)
MINEQL+ Win95-GUI interface to MINEQL-successor from W.Schecher (ERS - Environmental Research Software, Hallowell, ME). Cost: 650 USD.
There is also an older DOS version available for free.
WATEQ4F home page at U.S.G.S.

CHEMSAGE© from GTT Aachen / Germany. Cost: 2495 USD.
FACT Facility for the Analysis of Chemical Thermodynamics, by the Centre for Research in Computational Thermochemistry (CRCT) at the University Montréal, closely cooperating with GTT
GEMS-PSI by D.Kulik at PSI / Switzerland
HCh package for geochemical modelling from Geoscience Australia, Cost: 961.40 AUD
THERMOCALC by R.Powell and T.Holland (University of Cambridge), no costs

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CHEMTARD - short description from NEA software data base
CRUNCHFLOW- the successor of OS3D / GIMRT, by Carl Steefel
HBGC123D HydroBioGeoChem 123D from Oak Ridge, including a Java-based GUI
HYTEC a reactive transport model coupled with the geochemical code CHESS. Maintained by Jan van der Lee (École Nationale Supérieure des Mines de Paris).
Orchestra from the Energy Research Centre of the Netherlands (ECN)
PHAST from U.S.G.S., coupling PHREEQC and HST3D
POLLUTE and MIGRATE - 1.5D & 2D Contaminant Transport Modelling by GAEA Technologies. Cost: 2390 USD
RETRASO from the Universidad Politècnica de Catalunya, Barcelona, Spain
TReAC from the Mining Academy Freiberg / Germany

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Hydrologic Web by Earth and Environmental Sciences Center (EESC) at the Pacific Northwest Laboratory (PNL)
Groundwater Modelling System (GMS), from the Environmental Modeling Research Laboratory at Brigham Young University in Provo, Utah
Scientific Software Group - Ground Water, Surface-Water, Air Pollution, Bioremediation, Geology, and Other Environmental Models and Modeling Software
Groundwater.com - directory of groundwater online resources by BANNISTER RESEARCH & CONSULTING
Waterloo Hydrogeologic - Groundwater Modeling: Software Development, Consulting & Training
Datasurge - geotechnical and hydrogeologic software from North Andover / MA
Water Resource Systems Research Laboratory at University /Newcastle-upon-Tyne UK
Water Resources Consulting Services at San Francisco, Cal.
BOSS International at Madison, Wisc.
Groundwater software and Surface water software from the USGS
CHEMFLUX by SoilVision
DHI Software with a variety of MIKE applications
Dodson and Assoc. at Houston, Texas

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Thermochemical Database Project (TDB) at the Nuclear Engery Agency (NEA) of OECD
SUPCRT92 description from Earth Sciences - University of Bern, for downloading the data base see here
EPA - Data Systems and Software at U.S. Environmental Protection Agency
Chemistry WebBook
- NIST Standard Reference Database Number 69, July 2001 Release
(thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program)
CODATA key values for thermodynamics and the CODATA internationally recommended values of the fundamental physical constants
IUPAC Stability Constants Database by Academic Software
ThermoML - an XML-based IUPAC standard for storage and exchange of experimental thermophysical and thermochemical property data
Common Thermodynamic Database Projectof the École Nationale Supérieure des Mines de Paris
Nagra/PSI Chemical Thermodynamic Data Base 01/01
Thermodynamic database MALT2 from the Japan Society of Calorimetry and Thermal Analysis
Thermodynamic Data and Property Calculation Sites on the Web
Meta list at UIC Thermodynamics Research Laboratory - University of Illinois at Chicago
FreeGs thermodynamic database project from Geoscience Australia

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