Integration of geochemistry into a geomechanical subsurface flow simulator

Miki Mura; Shuang Zheng; Mukul Sharma

doi:10.69631/ipj.v1i3nr6

Authors

Miki Mura University of Texas at Austin https://orcid.org/0000-0003-0610-0099
Shuang Zheng Previous: The University of Texas at Austin ; Current: Aramco Americas, Houston, Texas, USA https://orcid.org/0000-0002-7816-1176
Mukul Sharma The University of Texas at Austin

DOI:

https://doi.org/10.69631/ipj.v1i3nr6

Keywords:

Geomechanics, Reactive Transport Modeling, Fractured Reservoir, CCUS, CO2 capture, utilization, and storage

Abstract

Accurately modeling geochemical reactions in subsurface flow is essential for understanding processes such as CO₂ sequestration and contaminant transport. This paper presents a new numerical subsurface simulator (MF3D-GC) that combines flow, geomechanics, and geochemistry in an integrated and fully coupled manner. The simulator's capabilities were benchmarked by comparing it with other reactive-transport simulators. An adaptive tolerance method was implemented in the geochemistry module which reduced computing time while maintaining accuracy. User-defined kinetic models were used and coupled with changes in specific surface area, fluid saturation, temperature, and pH. The unique abilities of the model to couple geomechanics with geochemistry are highlighted. Our results show the importance of carefully selecting minerals and models to balance accuracy and computational efficiency. The model is used to simulate six different classes of geochemical flow problems which include flow, dissolution, precipitation, redox reactions, and diffusion with increasing levels of complexity. The potential applications of the model to CO₂ sequestration, solution mining, geothermal energy production, and contaminant transport are briefly discussed.

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References

Abd, A. S., & Abushaikha, A. (2019). A review of numerical modelling techniques for reactive transport in subsurface reservoirs and application in mimetic finite difference discretization schemes. SPE Europec Featured at 81st EAGE Conference and Exhibition, D021S001R012. https://doi.org/10.2118/195558-MS DOI: https://doi.org/10.2118/195558-MS

Bissell, R. C., Vasco, D. W., Atbi, M., Hamdani, M., Okwelegbe, M., & Goldwater, M. H. (2011). A full field simulation of the in Salah gas production and CO2 storage project using a coupled geo-mechanical and thermal fluid flow simulator. Energy Procedia, 4, 3290–3297. https://doi.org/10.1016/j.egypro.2011.02.249 DOI: https://doi.org/10.1016/j.egypro.2011.02.249

Black, J. R., Carroll, S. A., & Haese, R. R. (2015). Rates of mineral dissolution under CO2 storage conditions. Chemical Geology, 399, 134–144. https://doi.org/10.1016/j.chemgeo.2014.09.020 DOI: https://doi.org/10.1016/j.chemgeo.2014.09.020

Bordeaux-Rego, F., Sanaei, A., & Sepehrnoori, K. (2022). Enhancement of simulation CPU time of reactive-transport flow in porous media: Adaptive tolerance and mixing zone-based approach. Transport in Porous Media, 143(1), 127–150. https://doi.org/10.1007/s11242-022-01789-1 DOI: https://doi.org/10.1007/s11242-022-01789-1

Cardiff, P., Tuković, Ž., Jasak, H., & Ivanković, A. (2016). A block-coupled Finite Volume methodology for linear elasticity and unstructured meshes. Computers & Structures, 175, 100–122. https://doi.org/10.1016/j.compstruc.2016.07.004 DOI: https://doi.org/10.1016/j.compstruc.2016.07.004

Carman, P. C. (1997). Fluid flow through granular beds. Chemical Engineering Research and Design, 75, S32–S48. https://doi.org/10.1016/S0263-8762(97)80003-2 DOI: https://doi.org/10.1016/S0263-8762(97)80003-2

Computer Modelling Group Ltd. (2019). CMG Licensing User Guide no. 2. Guide to Using CMG Licensing.

Gai, X. (2004). A coupled geomechanics and reservoir flow model on parallel computers [Ph.D. Dissertation, The University of Texas at Austin]. https://repositories.lib.utexas.edu/handle/2152/1187 DOI: https://doi.org/10.2118/79700-MS

Goerke, U.-J., Park, C.-H., Wang, W., Singh, A. K., & Kolditz, O. (2011). Numerical simulation of multiphase hydromechanical processes induced by CO2 injection into deep saline aquifers. Oil & Gas Science and Technology – Revue d’IFP Energies Nouvelles, 66(1), 105–118. https://doi.org/10.2516/ogst/2010032 DOI: https://doi.org/10.2516/ogst/2010032

Goertz-Allmann, B. P., Kühn, D., Oye, V., Bohloli, B., & Aker, E. (2014). Combining microseismic and geomechanical observations to interpret storage integrity at the In Salah CCS site. Geophysical Journal International, 198(1), 447–461. https://doi.org/10.1093/gji/ggu010 DOI: https://doi.org/10.1093/gji/ggu010

Jaeger, J. C., Cook, N. G. W., & Zimmerman, R. W. (2007). Fundamentals of rock mechanics (4th ed). Blackwell Pub.

Jasak, H., & Weller, H. G. (2000). Application of the finite volume method and unstructured meshes to linear elasticity. International Journal for Numerical Methods in Engineering, 48(2), 267–287. https://doi.org/10.1002/(SICI)1097-0207(20000520)48:2<267::AID-NME884>3.0.CO;2-Q DOI: https://doi.org/10.1002/(SICI)1097-0207(20000520)48:2<267::AID-NME884>3.0.CO;2-Q

Kazemi Nia Korrani, A., Sepehrnoori, K., & Delshad, M. (2015). Coupling IPhreeqc with UTCHEM to model reactive flow and transport. Computers & Geosciences, 82, 152–169. https://doi.org/10.1016/j.cageo.2015.06.004 DOI: https://doi.org/10.1016/j.cageo.2015.06.004

Kozeny, J. (1927). Ueber kapillare Leitung des Wassers im Boden [About capillary conduction of water in the soil]. Sitzungsber Akad., Wiss., Wien, 136(2a), 271–306.

Kvamme, B., & Liu, S. (2009). Reactive transport of CO2 in saline aquifers with implicit geomechanical analysis. Energy Procedia, 1(1), 3267–3274. https://doi.org/10.1016/J.EGYPRO.2009.02.112 DOI: https://doi.org/10.1016/j.egypro.2009.02.112

Lake, L. W., Bryant, S. L., & Araque-Martinez, A. N. (2002). Geochemistry and fluid flow. In: Geochemistry and fluid flow (1st ed.). Elsevier Science Ltd.

Lake, L. W., Johns, Russell., & Rossen, Bill. (2014). Fundamentals of Enhanced Oil Recovery. (1st ed.). SPE. DOI: https://doi.org/10.2118/9781613993286

Lasaga, A. C. (2018). Chapter 2. Fundamental approaches in describing mineral dissolution and precipitation rates. In A. F. White & S. L. Brantley (Eds.), Chemical Weathering Rates of Silicate Minerals (pp. 23–86). De Gruyter. https://www.degruyter.com/document/doi/10.1515/9781501509650-004/html DOI: https://doi.org/10.1515/9781501509650-004

Lucier, A., Zoback, M., Gupta, N., & Ramakrishnan, T. S. (2006). Geomechanical aspects of CO2 sequestration in a deep saline reservoir in the Ohio River Valley region. Environmental Geosciences, 13(2), 85–103. https://doi.org/10.1306/eg.11230505010 DOI: https://doi.org/10.1306/eg.11230505010

Manchanda, R. (2016). A general poro-elastic model for pad-scale fracturing of horizontal wells. University of Texas at Austin [Dissertation]. https://doi.org/10.15781/T2DD66

Mayer, K. U., Frind, E. O., & Blowes, D. W. (2002). Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions. Water Resources Research, 38(9). https://doi.org/10.1029/2001WR000862 DOI: https://doi.org/10.1029/2001WR000862

Mura, M., & Sharma, M. M. (2023). Flow-geomechanics-geochemistry simulation of CO2 injection into fractured sandstones and carbonates. Day 2 Tue, October 17, 2023, D021S020R001. https://doi.org/10.2118/215032-MS DOI: https://doi.org/10.2118/215032-MS

Oelkers, E. H., Gislason, S. R., & Matter, J. (2008). Mineral carbonation of CO2. Elements, 4(5), 333–337. https://doi.org/10.2113/gselements.4.5.333 DOI: https://doi.org/10.2113/gselements.4.5.333

Oliveira, T. D. S., Blunt, M. J., & Bijeljic, B. (2019). Modelling of multispecies reactive transport on pore-space images. Advances in Water Resources, 127, 192–208. https://doi.org/10.1016/j.advwatres.2019.03.012 DOI: https://doi.org/10.1016/j.advwatres.2019.03.012

Olivella, S., Carrera, J., Gens, A., & Alonso, E. E. (1994). Nonisothermal multiphase flow of brine and gas through saline media. Transport in Porous Media, 15(3), 271–293. https://doi.org/10.1007/BF00613282 DOI: https://doi.org/10.1007/BF00613282

Onaisi, Atef, Samier, Pierre, Koutsabeloulis, Nick, and Pascal Longuemare. "Management of Stress Sensitive Reservoirs Using Two Coupled Stress-Reservoir Simulation Tools: ECL2VIS and ATH2VIS." Paper presented at the Abu Dhabi International Petroleum Exhibition and Conference, Abu Dhabi, United Arab Emirates, October 2002. https://doi.org/10.2118/78512-MS DOI: https://doi.org/10.2523/78512-MS

Orlic, B. (2009). Some geomechanical aspects of geological CO2 sequestration. KSCE Journal of Civil Engineering, 13(4), 225–232. https://doi.org/10.1007/s12205-009-0225-2 DOI: https://doi.org/10.1007/s12205-009-0225-2

Palandri, J. L., Kharaka, Y. K., & Survey, U. S. G. (2004). A compilation of rate parameters of water-mineral interaction kinetics for application to geochemical modeling. In Open-File Report. https://doi.org/10.3133/ofr20041068 DOI: https://doi.org/10.3133/ofr20041068

Parkhurst, D. L., Appelo, C. A. J. (2013). Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations. Chapter 42 of Section A: Groundwater In: Book 6 Modeling Techniques. https://doi.org/10.3133/tm6A43 DOI: https://doi.org/10.3133/tm6A43

Parkhurst, D. L., & Wissmeier, L. (2015). PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC. Advances in Water Resources, 83, 176–189. https://doi.org/10.1016/j.advwatres.2015.06.001 DOI: https://doi.org/10.1016/j.advwatres.2015.06.001

Rutqvist, J. (2011). Status of the TOUGH-FLAC simulator and recent applications related to coupled fluid flow and crustal deformations. Computers & Geosciences, 37(6), 739–750. https://doi.org/10.1016/j.cageo.2010.08.006 DOI: https://doi.org/10.1016/j.cageo.2010.08.006

Rutqvist, J. (2012). The geomechanics of CO2 storage in deep sedimentary formations. Geotechnical and Geological Engineering, 30(3), 525–551. https://doi.org/10.1007/s10706-011-9491-0 DOI: https://doi.org/10.1007/s10706-011-9491-0

Rutqvist, J., & Tsang, C.-F. (2002). A study of caprock hydromechanical changes associated with CO2-injection into a brine formation. Environmental Geology, 42(2–3), 296–305. https://doi.org/10.1007/s00254-001-0499-2 DOI: https://doi.org/10.1007/s00254-001-0499-2

Sanaei, A. (2019). Compositional Reactive-Transport Modeling of Engineered Waterflooding. University of Texas at Austin [Dissertation]. http://dx.doi.org/10.26153/tsw/13775

Sevougian, S. D., Schechter, R. S., & Lake, L. W. (1993). Effect of Partial Local Equilibrium on the Propagation of Precipitation/Dissolution Waves. Industrial & Engineering Chemistry Research, 32(10), 2281–2304. https://doi.org/10.1021/ie00022a013 DOI: https://doi.org/10.1021/ie00022a013

Soulaine, C., Pavuluri, S., Claret, F., & Tournassat, C. (2021). Porousmedia4foam: Multi-scale open-source platform for hydro-geochemical simulations with OpenFOAM®. Environmental Modelling & Software, 145, 105199. https://doi.org/10.1016/j.envsoft.2021.105199 DOI: https://doi.org/10.1016/j.envsoft.2021.105199

Steefel, C. I., Appelo, C. A. J., Arora, B., Jacques, D., Kalbacher, T., et al. (2015). Reactive transport codes for subsurface environmental simulation. Computational Geosciences, 19(3), 445–478. https://doi.org/10.1007/s10596-014-9443-x DOI: https://doi.org/10.1007/s10596-014-9443-x

Steefel, C. I., & MacQuarrie, K. T. B. (1996). Chapter 2. Approaches to modeling of reactive transport in porous media. In P. C. Lichtner, C. I. Steefel, & E. H. Oelkers (Eds.), Reactive Transport in Porous Media (pp. 83–130). De Gruyter. https://doi.org/10.1515/9781501509797-005 DOI: https://doi.org/10.1515/9781501509797-005

Tang, T. (2013). Implementation of solid body stress analysis in OpenFOAM. https://backend.orbit.dtu.dk/ws/portalfiles/portal/53911239/prod11365072351121.OSCFD_Report_TianTang_peerReviewed.pdf

Tang, T., Hededal, O., & Cardiff, P. (2015). On finite volume method implementation of poro-elasto-plasticity soil model. International Journal for Numerical and Analytical Methods in Geomechanics, 39(13), 1410–1430. https://doi.org/10.1002/NAG.2361 DOI: https://doi.org/10.1002/nag.2361

Taron, J., Elsworth, D., & Min, K.-B. (2009). Numerical simulation of thermal-hydrologic-mechanical-chemical processes in deformable, fractured porous media. International Journal of Rock Mechanics and Mining Sciences, 46(5), 842–854. https://doi.org/10.1016/j.ijrmms.2009.01.008 DOI: https://doi.org/10.1016/j.ijrmms.2009.01.008

Tian, H., Xu, T., Li, Y., Yang, Z., & Wang, F. (2015). Evolution of sealing efficiency for CO2 geological storage due to mineral alteration within a hydrogeologically heterogeneous caprock. Applied Geochemistry, 63, 380–397. https://doi.org/10.1016/j.apgeochem.2015.10.002 DOI: https://doi.org/10.1016/j.apgeochem.2015.10.002

UT Austin. (2000). Volume I: User’s Guide for UTCHEM-9.0. A Three-Dimensional Chemical Flood Simulator. http://gmsdocs.aquaveo.com/UTCHEM_Users_Guide.pdf

Weller, H. G., Tabor, G., Jasak, H., & Fureby, C. (1998). A tensorial approach to computational continuum mechanics using object-oriented techniques. Computers in Physics, 12(6), 620–631. https://doi.org/10.1063/1.168744 DOI: https://doi.org/10.1063/1.168744

White, J. A., Chiaramonte, L., Ezzedine, S., Foxall, W., Hao, Y., et al. (2014). Geomechanical behavior of the reservoir and caprock system at the In Salah CO2 storage project. Proceedings of the National Academy of Sciences, 111(24), 8747–8752. https://doi.org/10.1073/pnas.1316465111 DOI: https://doi.org/10.1073/pnas.1316465111

Xie, M., Mayer, K. U., Claret, F., Alt-Epping, P., Jacques, D., et al. (2015). Implementation and evaluation of permeability-porosity and tortuosity-porosity relationships linked to mineral dissolution-precipitation. Computational Geosciences, 19(3), 655–671. https://doi.org/10.1007/s10596-014-9458-3 DOI: https://doi.org/10.1007/s10596-014-9458-3

Xu, T., Apps, J. A., & Pruess, K. (2004). Numerical simulation of CO2 disposal by mineral trapping in deep aquifers. Applied Geochemistry, 19(6), 917–936. https://doi.org/10.1016/j.apgeochem.2003.11.003 DOI: https://doi.org/10.1016/j.apgeochem.2003.11.003

Xu, T., Pruess, K., Xu, T., & Pruess, K. (1998). Coupled modeling of non-isothermal multiphase flow, solute transport and reactive chemistry in porous and fractured media: 1. Model development and validation. https://escholarship.org/uc/item/9p64p400 DOI: https://doi.org/10.2172/926875

Zhang, Y., Hu, B., Teng, Y., Tu, K., & Zhu, C. (2019). A library of BASIC scripts of reaction rates for geochemical modeling using phreeqc. Computers & Geosciences, 133, 104316. https://doi.org/10.1016/j.cageo.2019.104316 DOI: https://doi.org/10.1016/j.cageo.2019.104316

Zheng, S. (2021). Development of a fully integrated equation of state compositional hydraulic fracturing and reservoir simulator. The University of Texas Austin [Dissertation] https://doi.org/10.26153/TSW/16954 DOI: https://doi.org/10.2118/201700-MS