MCphreec 2.0

McPhreeqc software provides a way to do Monte-Carlo simulations automatically, this is applied in  geochemicall modelling

Quantifying the optimal and sustainable production of the water sources requires an effort in understanding the natural systems and determining their limitations. Groundwater modelling is a fundamental tool for system understanding and data informed decision-making. Surface and groundwater integrated modelling is a need for most water and environmental managers both in the public (water authorities) and industrial sector (water, mining and oil and gas companies).

Quantifying the optimal and sustainable production of the water sources requires an effort in understanding the natural systems and determining their limitations. Surface and groundwater integrated modelling is a need for most water and environmental managers both in the public (water authorities) and industrial sector (water, mining and oil and gas companies).

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

MCPhreeqc The software 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

Ready to use

Phreeqc is a code used for modelling many different types of natural geochemical processes, such as groundwater pollution. 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.

-          Performance of MonteCarlo simulations over different parameters of a Phreeqc problem

Efficiency in time consuming (productivity)  and computational costs

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

High Transferability

Other scientists, technical consultancies, river basin agencies, environmental national agencies.

• Version not applicable to non-expert users, technical support might be needed.
• A more friendly interface could be developed as wellas more detailed user’s guide documentation

Low risk on all issues, although expertise on modelling is needed.

Further development of the users guide towards a more complete document

Further improvement of the software interface, more users friendly.

Development of user friendly interface and users’ guide.

Technical co-operation, commercial agreement,

1 person month

approx. 15.000€