Environmental Modeling: Software, Databases, Projects, Books

Speciation | Coupled transport | Hydrology | Databases | Books | Numerics

If not stated otherwise the links offer their information in English

Geochemical Modeling - Chemical Speciation

A) LMA (Law of Mass Action) Based Codes

• 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 US GS, which gives also details of various code development lines, GUIs, and couplings to other software. The most recent version is 3.0 and includes an interfcae for MS Windows. There is a form-based user-interface, WEB-PHREEQ for remote calculations (Department of Geosciences, North Dakota State University). There is also a separate graphical interface to PHREEQC, PHREEQCI from US GS
• CHEAQS Next by Wilko Verweij (NL), which is a follow-up of CHEAQS Pro
• CHEPROO - CHEmical PRocesses Object-Oriented is a tool to be coupled with transport codes, from Universitat Politècnica de Catalunya and the Institute of Environmental Assessment and Water Research, both in Barcelona, Spain
• Geochemist's Workbench®
• HSC Chemistry® by Metso Outotec / Finland.
• JESS by Peter M May (Murdoch University, Australia) and Kevin Murray (Insight Modelling Services, Garsfontein East, South Africa)
• MINEQL+ Windows-GUI interface to MINEQL-successor from W.Schecher (ERS - Environmental Research Software, Hallowell, ME), last updated 2015
• ORCHESTRA by Hans Meeussen / Netherlands
• Visual Minteq from KTH Stockholm, a successor of the famous MINTEQA2 from US EPA.
• WATEQ4F home page at U.S.G.S.

B) GFEM (Gibbs Free Energy Minimization) Based Codes

• FACTSAGE© from GTT Aachen / Germany.
• GEMS-PSI by D.Kulik at PSI / Switzerland
• REAKTORO by Allan Leal

Coupled Transport / Reactive Models

• CRUNCHFLOW- the successor of OS3D / GIMRT, by Carl Steefel
• PFLOTRAN
• PHAST from U.S.G.S., coupling PHREEQC and HST3D
• RETRASO from the Universidad Politècnica de Catalunya, Barcelona, Spain
• TOUGHREACT by Berkeley Lab

Hydrology / Groundwater Flow Models

• 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
• Waterloo Hydrogeologic - Groundwater Modeling: Software Development, Consulting & Training
• Datasurge - geotechnical and hydrogeologic software from North Andover / MA
• Groundwater software and Surface water software from the USGS
• DHI Software with a variety of MIKE applications

Thermodynamic Databases

• Thermochemical Database Project (TDB) at the Nuclear Engery Agency (NEA) of OECD
• SUPCRT92 interactive version from Arizona State University, 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
• 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
• THEREDA - the THErmodynamic REference DAtabase project from a German consortium

Assorted Books (Chronological Order)

• Bear,J.;Verruijt,A.
  Modeling groundwater flow and pollution
  D.Reidel Publ., Dordrecht, 1987
  ISBN: 1-55608-014-X
• Melchior,D.C.;Bassett,R.L.
  Chemical Modeling of Aqueous Systems II
  ACS Symposium Series 416, ACS, Washington, 1990
  ISBN: 0-8412-1729-7
• Appelo,C.A.J.;Postma,D.
  Geochemistry, groundwater and pollution
  Balkema, Rotterdam, 1994
  ISBN: 90-5410-105-9
• Zheng,C;Bennett,G.D.
  Applied Contaminant Transport Modeling. Theory and Practice
  Van Nostrand Reinhold, New York, 1995
  ISBN: 0-442-013448-5
• Schnoor,J.L.
  Environmental Modeling. Fate and Transport of Pollutants in water, air, and soil
  Wiley-Interscience, New York, 1996
  ISBN: 0-471-12436-2
• Bethke,C.M.
  Geochemical Reaction Modeling. Concepts and Applications
  Oxford University Press, New York, 1996
  ISBN: 0-19-509475-1
• Dagan,G.;Neuman,S.P.
  Subsurface flow and transport: a stochastic approach
  Cambridge University Press, Cambridge, 1997
  ISBN: 0-521-57257-6
• Kresic,N.
  Quantitative Solutions in Hydrogeology and Groundwater Modeling
  Lewis, Boca Raton, 1997
  ISBN: 0-56670-219-4
• Drever,J.I.
  The geochemistry of natural waters. Surface and groundwater environments
  Prentice Hall, Upper Saddle River, 1997 (3rd.ed.)
  ISBN: 0-13-272790-0
• Hitchon,B.;Perkins,E.H.;Gunter,W.D.
  Introduction to Ground Water Geochemistry
  Geoscience Publishing, Sherwood Park, 1999
  ISBN: 0-9680844-1-9

Numerics and Uncertainty Analysis

• GLUE - Generalised Likelihood Uncertainty Estimation
• PEST - Model-Independent Parameter Estimation
• UCODE - A computer code for universal inverse modeling

Last Update: September 27, 2022

Back to homepage !