Interactive Package for Thermodynamic Modelling of Aquatic
(Geo)Chemical Systems by Gibbs
package offers high chemical
plausibility of (partial) equilibrium thermodynamic models
Stable and metastable phases are checked using rigorous criteria
based on phase
Aqueous equilbria may involve many (non)ideal
solid or liquid solutions, gas mixture or non-ideal gaseous fluids
Multi-site-surface complexation on
mineral-water interfaces can be computed,
also without site balances
Redox state is calculated from the bulk chemical composition of
system via the GEM dual solution
Processes of chemical mass
transfer can be simulated using principles of local and partial
Built-in default chemical thermodynamic database is provided;
third-party databases are also available
Thermodynamic data is automatically corrected for temperature
and pressure of interest
GEMS3K - the
standalone kernel of GEMS3 can be coupled to mass-transport or
Qt4 (Qt5)- based Graphical User Interface with plotting of results and
a context-sensitive run-time help system
Installers available for all major PC platforms (Windows XP, 7,
8; Mac OS X 10.6 and up; ubuntu linux 10.4 and up)
chemical system setup is limited mainly by the
thermodynamic data for species and phases.
how to work with the user-friendly GEMS3 code:
experience a problem, please report it in an e-mail to GEMS Development Team.
Frequently asked questions.
package is always under development. GEMS is distributed "as is" by the
Laboratory for Waste Management (LES) of the Paul Scherrer Institute
(PSI) with two purposes:
- to promote the GEM method and software into
- to gather the users feedback - vital for making the software more
functional and reliable.
use the GEM-Selektor software is hereby granted free
of charge for educational
and research purposes, subject to acceptance of Terms
and Conditions of
particular, in any publication of your results obtained using the
GEM-Selektor code, please, cite this web page address
the following papers:
Please, keep in mind that the TSolMod library is an integral part of
GEMS codes that is used in solving for equilibrium in any system
containing at least one solution (multi-component) phase. Even the
simplest aquatic equilibrium calculation makes use of Davies or
Debye-Hückel models that are implemented consistently in TSolMod
library. If sophisticated models for non-ideal fluids or solid
solutions are used, then citing the paper about TSolMod will streamline
and shorten your manuscript letting you concentrate on relevant problem
setting and results.
Kulik D.A., Wagner T., Dmytrieva S.V., Kosakowski G., Hingerl
F.F., Chudnenko K.V., Berner U. (2013): GEM-Selektor geochemical
modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes.
Computational Geosciences 17, 1-24. doi.
Wagner T., Kulik D.A., Hingerl F.F., Dmytrieva S.V. (2012):
GEM-Selektor geochemical modeling package: TSolMod library
and data interface for multicomponent phase models. Canadian Mineralogist 50, 1173-1195. doi.
Copyright (c) 2003-2015 GEMS Development
Last update: 19.04.2015