ReactMiCP is a reactive transport simulator for variable porosity problem
SpecMiCP is a speciation solver
ReactMiCP is a reactive transport simulator for variable porosity problem
SpecMiCP is a speciation solver
Commit | Author | Details | Committed | ||||
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fb013dc5d277 | fabien | impr: acc_carbo example | Dec 19 2015 | ||||
39e77c269de4 | fabien | impr: also reset porosity in unsaturated system | Dec 19 2015 | ||||
8cb5378d17af | fabien | feat: add HDF5 files analyser for the unsaturated system | Dec 18 2015 | ||||
4bcb6e93eaaa | fabien | Merge branch 'reactmicp/unsaturated' of bitbucket.org:specmicp/specmicp into… | Dec 18 2015 | ||||
fda144f98848 | fabien | impr: acc_carbo use new unsaturated laws and cli modules | Dec 18 2015 | ||||
95eab80582bb | fabien | feat: add unsaturated laws in specmicp:laws | Dec 17 2015 | ||||
d905acdbad5f | fabien | impr: Bye Bye Boost | Dec 17 2015 | ||||
5fbde0301d83 | fabien | impr: use the new RangeIterator class | Dec 17 2015 | ||||
e625241152f2 | fabien | feat: RangeIterator | Dec 17 2015 | ||||
6e03ad5c65da | fabien | Feat: Plugin system | Dec 17 2015 | ||||
64ca49fe1355 | fabien | feat: dynamic loader | Dec 17 2015 | ||||
6c70c1debec1 | fabien | build: add dependancies in add_catch_test | Dec 17 2015 | ||||
b8ef9fcecaec | fabien | impr:specmicp:benchmark add a few benchmarks | Dec 17 2015 | ||||
ea94c2986fcc | fabien | logging: do not include Spam,Debug,Info log level in NDEBUG builds | Dec 17 2015 | ||||
72eafbf4affb | fabien | bm: add more benchmark for adim system and solver | Dec 17 2015 |
SpecMiCP is a speciation solver to find the equilibrium state of a chemical system. The system is based on a mixed complementarity formulation of the equilibrium condition for minerals.
For a mineral with volume fraction Sm, the equilibrium condition is :
Sm >= 0, -log(IAPm/K) >= 0, -Sm*log(IAPm/K) = 0
where IAPm is the ion activity product and K the equilibrium constant. This condition is reformulated using the penalized Fischer-Burmeister C-function and the system is solved using a semismooth method.
ReactMiCP is a reactive transport solver built on top of specmicp. It uses the operator splitting approach to couple transport and chemistry.
SpecMiCP is not (yet) a program but a set of libraries that can be used to solve specific problems.
The following modules are already available :
The micpsolver and odeint modules can be use independantly.
Examples of use are provided in the examples directory.
To build and install SpecMiCP/ReactMiCP see the INSTALL file. To learn how to use the API the best is to look at the examples. The starting point should be the leaching in CO2-saturated examples : examples/reactmicp/saturated_react/carbonation.cpp. This file is heavily commented. Example of use of the Python interface can be found in the tests/cython directory.
A cmake module can be used to find SpecMiCP in your own project. It will be installed at
<prefix>/share/specmicp/cmake/FindSpecMiCP.cmake
The python module can be used directly if it is in your python path.
The API is documented with Doxygen and the documentation can be generated with the command :
make doc
A (maybe outdated) version of the doc can be found [here][3].
The code is in development and the API is not considered stable yet.
A python binding is available at the following address :
https://bitbucket.org/specmicp/specmicppy
SpecMiCP is developped by F. Georget (fabieng aT princeton DoT edu). It is part of my Ph.D. work. The purpose of the PhD is to develop a reactive transport model to model the coupling between hydration, drying and carbonation in cement paste.
This Ph.D. is funded by [Princeton university][6], [Lafarge][4] and the [CSTB][5].
References :
A list of the references used in the code can be found in the [documentation][7].
[2]: http://www.empa.ch/plugin/template/empa/*/62204/---/l=1
[3]: http://www.princeton.edu/~fabieng/specmicpdoc/index.html
[4]: http://www.lafarge.com/en
[5]: http://www.cstb.fr/
[6]: http://princeton.edu
[7]: http://www.princeton.edu/~fabieng/specmicpdoc/citelist.html