Open-source SHEMAT-Suite

SHEMAT-Suite (Simulator for HEat and MAss Transport) is a numerical code for computing flow, heat and species transport equations in porous media. The governing equations of the code are the groundwater flow equation, the heat transport equation and the species transport equation.

SHEMAT-Suite includes parameter estimation and data assimilation approaches, both stochastic (Monte Carlo, ensemble Kalman filter) and deterministic (Bayesian inversion using automatic differentiation for calculating derivatives).

SHEMAT-Suite is written in Fortran-95.

SHEMAT-Suite uses finite-difference discretization on a Cartesian grid with x, y, z coordinates and block centered nodes. The system of equations can be solved explicitly, implicitly or semi-implicitly.

A code demonstartion is available as Code Ocean Capsule: https://codeocean.com/capsule/4639982/tree

More detailed information on the equations

Temperature distribution and groundwater flow field in a 2D subsurface model simulated with SHEMAT-Suite.

Citing SHEMAT-Suite

If you reference SHEMAT-Suite, for instance when publishing a paper using numerical experiments obtained with this software, please cite the following general reference:

• Keller, J., Rath, V., Bruckman, J., Mottaghy, D., Clauser, C., Wolf, A., Seidler, R., Bücker, H. M. & Klitzsch, N., SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media, SoftwareX, 12, 100533 (2020). https://doi.org/10.1016/j.softx.2020.100533

• BibTeX format:

@article{2020:02,
   author      = "J. Keller and V. Rath and J. Bruckmann and D. Mottaghy 
                  and C. Clauser and A. Wolf and R. Seidler  
                  and H. M. B{\"u}cker and N. Klitzsch",
   title       = "{SHEMAT-Suite}: {A}n open-source code for simulating flow, 
                  heat and species transport in porous media",
   journal     = "SoftwareX",
   year        = 2020,
   volume      = 12,
   pages       = "100533",
   url         = {https://doi.org/10.1016/j.softx.2020.100533},
   doi         = "10.1016/j.softx.2020.100533",
   abstract = "SHEMAT-Suite is a finite-difference open-source code for 
        simulating coupled flow, heat and species transport in porous media. 
        The code, written in Fortran-95, originates from geoscientific research 
        in the fields of geothermics and hydrogeology. It comprises: 
        (1) a versatile handling of input and output, (2) a modular framework 
        for subsurface parameter modeling, (3) a multi-level OpenMP parallelization, 
        (4) parameter estimation and data assimilation by stochastic approaches 
        (Monte Carlo, Ensemble Kalman filter) and by deterministic Bayesian 
        approaches based on automatic differentiation for calculating exact 
        (truncation error-free) derivatives of the forward code.",
}

Installation

Guide to installing SHEMAT-Suite: Installation

Tutorial

If you want to run SHEMAT-Suite for the first time you should check the SHEMAT-Suite Tutorial.

For Developers

Fortran-95 styleguide for SHEMAT-Suite.

Doxygen documentation.

Most visited Wiki-pages

Input File

Compilation

Equations and Discretization

SHEMAT-Suite Wiki topics

• Howtos: howtos
• Property Modules: props
• User Directories: user
• Branches: branches

Outline of the directories in branch master

Important code developments of SHEMAT-Suite

Table: Important code developments of SHEMAT-Suite.

• (^{\mathrm{x}}) Functionalities not available in the open-source package.
• (*) Simplified functionality available in the open-source package.
• (**) SHEMAT-Suite functionality available open-source, additional software required.\

1. Rath, V., Wolf, A., & Bücker, H. M., Joint three-dimensional inversion of coupled groundwater flow and heat transfer based on automatic differentiation: sensitivity calculation, verification, and synthetic examples, Geophysical Journal International, 167(1), 453–466 (2006). https://doi.org/10.1111/j.1365-246x.2006.03074.x
2. Mottaghy, D., & Rath, V., Latent heat effects in subsurface heat transport modelling and their impact on palaeotemperature reconstructions, Geophysical Journal International, 164(1), 236–245 (2006). https://doi.org/10.1111/j.1365-246x.2005.02843.x
3. Vogt, C., Mottaghy, D., Wolf, A., Rath, V., Pechnig, R., & Clauser, C., Reducing temperature uncertainties by stochastic geothermal reservoir modelling, Geophysical Journal International, 181(1), 321–333 (2010). https://doi.org/10.1111/j.1365-246x.2009.04498.x
4. Mottaghy, D., & Dijkshoorn, L., Implementing an effective finite difference formulation for borehole heat exchangers into a heat and mass transport code, Renewable Energy, 45(), 59–71 (2012). https://doi.org/10.1016/j.renene.2012.02.013
5. Wolf, A., Ein softwarekonzept zur hierarchischen parallelisierung von stochastischen und deterministischen inversionsproblemen auf modernen ccnuma-plattformen unter nutzung automatischer programmtransformation. (Doctoral dissertation) (2011). RWTH Aachen University.
6. Vogt, C., Marquart, G., Kosack, C., Wolf, A., & Clauser, C., Estimating the permeability distribution and its uncertainty at the egs demonstration reservoir soultz-sous-forêts using the ensemble Kalman filter, Water Resources Research, 48(8), (2012). https://doi.org/10.1029/2011wr011673
7. Büsing, H., Willkomm, J., Bischof, C. H., & Clauser, C., Using exact jacobians in an implicit newton method for solving multiphase flow in porous media, International Journal of Computational Science and Engineering, 9(5/6), 499 (2014). https://doi.org/10.1504/ijcse.2014.064535
8. Rostami, M. A., & H. M. Bücker, Preservation of non-uniform memory architecture characteristics when going from a nested OpenMP to a hybrid MPI/OpenMP approach, In M. S. Obaidat, J. Kacprzyk, & T. Ören, SIMULTECH 2014, Proceedings of the 4th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, Vienna, Austria, August~28--30, 2014 (pp. 286–291) (2014). : SciTePress. https://doi.org/10.5220/0005110902860291
9. Kürten, S., Mottaghy, D., & Ziegler, M., A new model for the description of the heat transfer for plane thermo-active geotechnical systems based on thermal resistances, Acta Geotechnica, 10(2), 219–229 (2014). https://doi.org/10.1007/s11440-014-0311-6
10. Chen, T., Clauser, C., Marquart, G., Willbrand, K., & Büsing, H., Modeling anisotropic flow and heat transport by using mimetic finite differences, Advances in Water Resources, 94(), 441–456 (2016). https://doi.org/10.1016/j.advwatres.2016.06.006
11. Büsing, H., Vogt, C., Ebigbo, A., & Klitzsch, N., Numerical study on co2leakage detection using electrical streaming potential data, Water Resources Research, 53(1), 455–469 (2017). https://doi.org/10.1002/2016wr019803
12. Seidler, R., Padalkina, K., Bücker, H. M., Ebigbo, A., Herty, M., Marquart, G., & Niederau, J., Optimal experimental design for reservoir property estimates in geothermal exploration, Computational Geosciences, 20(2), 375–383 (2016). https://doi.org/10.1007/s10596-016-9565-4
13. Li, S., Reuning, L., Marquart, G., Wang, Y., & Zhao, P., Numerical model of halite precipitation in porous sedimentary rocks adjacent to salt diapirs, Journal of Geophysics and Engineering, 14(5), 1160–1166 (2017). https://doi.org/10.1088/1742-2140/aa73f9
14. H. Büsing, Efficient solution techniques for two-phase flow in heterogeneous porous media using exact Jacobians, Computational Geosciences, 25, 163–177 (2021). https://doi.org/10.1007/s10596-020-09995-w