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.
Guide to installing SHEMAT-Suite: Installation
If you want to run SHEMAT-Suite for the first time you should check the SHEMAT-Suite Tutorial.
Fortran-95 styleguide for 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.\
| Newly implemented functionality | Key Reference |
|---|---|
| Inverse parameter estimation based on automatic differentiation | Rath et al., 2006 |
| Latent heat effects due to freezing and melting | Mottaghy and Rath, 2006 |
| Monte Carlo techniques for uncertainty quantification and reduction | Vogt et al., 2010 |
| Borehole heat exchanger module(*) | Mottaghy and Dijkshoorn, 2012 |
| Shared-memory parallelization | Wolf, 2011 |
| Data assimilation based on the ensemble Kalman Filter | Vogt et al., 2012 |
| Multi-phase flow module using automatic differentiation ( |
Büsing et al., 2014 |
| Distributed-memory parallelization ( |
Rostami and Bücker, 2014 |
| Heat transfer model for plane thermo-active geotechnical systems( |
Kürten et al., 2014 |
| Anisotropic flow module using the full permeability tensor ( |
Chen et al., 2016 |
| Supercritical water/steam module using automatic differentiation ( |
Büsing et al., 2017 |
| Optimal borehole positioning with respect to reservoir characterization via optimal experimental design (**) | Seidler et al., 2016 |
| Halite precipitation model in porous sedimentary rock adjacent to salt diapirs( |
Li et al., 2017 |
| Efficient two-phase flow in heterogeneous porous media using exact Jacobians ( |
Büsing, 2020 |
- 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). http://dx.doi.org/10.1111/j.1365-246x.2006.03074.x
- 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). http://dx.doi.org/10.1111/j.1365-246x.2005.02843.x
- 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). http://dx.doi.org/10.1111/j.1365-246x.2009.04498.x
- 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). http://dx.doi.org/10.1016/j.renene.2012.02.013
- 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.
- 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). http://dx.doi.org/10.1029/2011wr011673
- 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). http://dx.doi.org/10.1504/ijcse.2014.064535
- 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.
- 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). http://dx.doi.org/10.1007/s11440-014-0311-6
- 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). http://dx.doi.org/10.1016/j.advwatres.2016.06.006
- 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). http://dx.doi.org/10.1002/2016wr019803
- 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). http://dx.doi.org/10.1007/s10596-016-9565-4
- 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). http://dx.doi.org/10.1088/1742-2140/aa73f9
- H. Büsing, Efficient solution techniques for two-phase flow in heterogeneous porous media using exact Jacobians, Computational Geosciences, In Review (2020).