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MCPhreeqc

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MCPhreeqc

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MCPhreeqc 2.0

Phreeqc is used for modelling many different types of natural geochemical processes. What they all have in common is that there is an uncertainty about the exact value of the parameters used. In the classical modelling method, the model is calibrated to find the “correct” values of these parameters. Another approach is to apply stochastic modelling using Monte-Carlo simulations. A probability distribution is chosen for each parameter. Then combinations of random values are generated according to these distributions. For each combination Phreeqc needs to be run. The results of all these runs is then combined to show the uncertainty for specific output variables, given the uncertainty of the input parameters.

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Description

The software MCPhreeqc provides a way to do Monte-Carlo simulations automatically. As input it uses a Phreeqc input file, a PDF for each of the uncertain parameters and the settings for the Monte Carlo simulation. It comes with a graphical user interface to enter the configuration of the simulations that need to be run. In addition it can automatically generate histograms and scatter plots from the results. Simulations can be run in parallel to benefit from all the processor cores in your machine

It is written in the programming language Python and is released under an open source license (LGPL). In short, this means that you can copy and install it on as many computers as you like. You can get the source code freely and you can even modify the source code. Any changes made to the source code need to be made public, if they are redistributed. All use of the software is at your own risk. Any questions concerning the installation or use of this software can be directed to modelling.solutions@amphos21.com.

The development of this tool has received funding from the European Union’s European Atomic Energy Community’s (Euratom) Seventh Framework Programme FP7/2007-2011 under grant agreement n° 269658 (CROCK project).

Note that the following programs and libraries are included with the installation:

 

  • PHREEQC
  • PySide
  • NumPy
  • SciPy
  • MatplotLib

This software has been developed by Amphos 21:

If you would like to reference MCPhreeqc in your publications, please use the following reference:

MCPhreeqc (2011). A tool for PHREEQC Monte-Carlo simulations. Amphos 21. http://www.Amphos21.com/vistas/descargas.php

 

You can redistribute MCPhreeqc and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either “version 2.1 of the License, or (at your option) any later version. For more information see: http://www.gnu.org/licenses/lgpl-2.1.html

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS “AS IS” AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.S.

 

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