GEMS3K (formerly GEMIPM2K) is a standalone C/C++ code implementing the efficient numerical kernel IPM-3 of the GEM-Selektor v.3 package for geochemical thermodynamic modeling of local/partial equilibria in complex heterogeneous multicomponent-multiphase systems. The code includes a TSolMod library of built-in phase models of non-ideal mixing, relevant to a wide range of applications in geochemistry (more...). GEMS3K uses fast and efficient linear algebra solvers from the JAMA C++ TNT package (NIST).
code results from substantial developments of the convex programming
energy minimization algorithms achieved since 2000, when the support of
GEM-Selektor code was taken over by LES PSI (since 2008 jointly with
IGP ETHZ; since 2012 also jointly with the University of Helsinki).
GEMS3K code can be
coupled to reactive mass transport simulation codes, also running on
high-performance computers, in particular, OpenGeoSys. Input
files (in text format) for GEMS3K can
be exported per mouse-click from the GEM-Selektor v.3 package, or
prepared manually using any simple ASCII text editor.
The runtime data exchange within the coupled code can be implemented in
computer memory using
TNode class functions.
Use of GEMS3K is granted under Terms and Conditions of use of GEM Software. In addition, in order to promote broad application in hydro(thermal)-/ waste geochemistry and related research communities, the standalone GEMS3K code is released open-source under Lesser GPL v.3 license. Potential areas of code application include coupled reactive mass transport codes, parameter fitting packages, and phase diagram plotting tools.
More about the GEMS3K code can be learned from publications:
The TSolMod library is an integral part of GEMS3K, used in solving for equilibrium in any system containing at least one solution (multi-component) phase, and essential if any built-in non-ideal solution phases (fluids, solid solutions) are involved. Even the simplest aquatic equilibrium calculation makes use of Davies or Debye-Hückel models that are implemented consistently in TSolMod library. Hence, citing this paper will streamline and shorten your manuscript by letting you concentrate on relevant problem setupand your modeling results.
Last update: 30.07.2013Copyright (c) 2012-2013 GEMS Development Team