A unified framework for modeling chemically reactive systems

Greg M. Anderson and David A. Crerar. Thermodynamics in Geochemistry: The Equilibrium Model. Oxford University Press, New York, feb 1993.


James W. Ball and D. Kirk Nordstrom. User's Manual for WATEQ4F, with revised thermodynamic data base and test cases for calculating speciation of major, trace, and redox elements in natural waters. U.S. Geological Survey Water-Resources Investigations Report, 91-183:1–188, 1991.


Lester Haar, John S. Gallagher, and George S. Kell. NBS/NRC Steam Tables: Thermodynamic and Transport Properties and Computer Program for Vapor and Liquid States of Water in SI Units. Hemisphere Publishing Corporation, New York, 1984.


James W. Johnson, Eric H. Oelkers, and Harold C. Helgeson. SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000 C. Computers & Geosciences, 18(7):899–947, 1992.


Jacob Kielland. Individual Activity Coefficients of Ions in Aqueous Solutions. Journal of the American Chemical Society, 59(9):1675–1678, sep 1937.


Dmitrii A. Kulik, Thomas Wagner, Svitlana V. Dmytrieva, Georg Kosakowski, Ferdinand F. Hingerl, Konstantin V. Chudnenko, and Urs R. Berner. GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes. Computational Geosciences, 17(1):1–24, aug 2012.


Donald Langmuir. Aqueous Environmental Geochemistry. Prentice Hall, 1997.


D.L. Parkhurst and C.A.J. Appelo. Description of input and examples for PHREEQC version 3—A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations. In Groundwater Book 6, Modeling Techniques, chapter A43, page 497. U.S. Geological Survey Techniques and Methods, 2013.


A. H. Truesdell and B. F. Jones. WATEQ–A computer program for calculating chemical equilibrium of natural waters. U.S. Geological Survey, Journal of Research, 2(2):233–248, 1974.


W. Wagner and A. Pruss. The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use. Journal of Physical and Chemical Reference Data, 31(2):387, 2002.