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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.
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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
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CHEAQS Next by Wilko Verweij (NL), which is a follow-up of CHEAQS Pro
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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
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Geochemist's Workbench®
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HSC Chemistry® by Metso Outotec / Finland.
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JESS by Peter M May (Murdoch University, Australia) and
Kevin Murray (Insight Modelling Services,
Garsfontein East, South Africa)
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MINEQL+ Windows-GUI interface to MINEQL-successor from W.Schecher
(ERS - Environmental Research Software, Hallowell, ME), last updated 2015
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ORCHESTRA by Hans Meeussen / Netherlands
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Visual Minteq from KTH Stockholm, a successor of the famous MINTEQA2 from US EPA.
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WATEQ4F home page at U.S.G.S.
B) GFEM (Gibbs Free Energy Minimization) Based Codes
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Coupled Transport / Reactive Models
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CRUNCHFLOW- the successor of OS3D / GIMRT, by Carl Steefel
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PFLOTRAN
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PHAST from U.S.G.S., coupling PHREEQC and HST3D
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RETRASO from the Universidad Politècnica de Catalunya, Barcelona, Spain
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TOUGHREACT by Berkeley Lab
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Hydrology / Groundwater Flow Models
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Thermodynamic Databases
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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
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Numerics and Uncertainty Analysis
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GLUE - Generalised Likelihood Uncertainty Estimation
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PEST - Model-Independent Parameter Estimation
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UCODE - A computer code for universal inverse modeling
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Last Update: September 27, 2022
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