Articles | Volume 16, issue 23
https://doi.org/10.5194/gmd-16-7059-2023
https://doi.org/10.5194/gmd-16-7059-2023
Methods for assessment of models
 | 
05 Dec 2023
Methods for assessment of models |  | 05 Dec 2023

An emulation-based approach for interrogating reactive transport models

Angus Fotherby, Harold J. Bradbury, Jennifer L. Druhan, and Alexandra V. Turchyn

Related authors

Proglacial methane emissions driven by meltwater and groundwater flushing in a high Arctic glacial catchment
Gabrielle Emma Kleber, Leonard Magerl, Alexandra V. Turchyn, Mark Trimmer, Yizhu Zhu, and Andrew Hodson
EGUsphere, https://doi.org/10.5194/egusphere-2024-1273,https://doi.org/10.5194/egusphere-2024-1273, 2024
Short summary
Reviews and syntheses: Review of proxies for low-oxygen paleoceanographic reconstructions
Babette Hoogakker, Catherine Davis, Yi Wang, Stepanie Kusch, Katrina Nilsson-Kerr, Dalton Hardisty, Allison Jacobel, Dharma Reyes Macaya, Nicolaas Glock, Sha Ni, Julio Sepúlveda, Abby Ren, Alexandra Auderset, Anya Hess, Katrina Meissner, Jorge Cardich, Robert Anderson, Christine Barras, Chandranath Basak, Harold Bradbury, Inda Brinkmann, Alexis Castillo, Madelyn Cook, Kassandra Costa, Constance Choquel, Paula Diz, Jonas Donnenfield, Felix Elling, Zeynep Erdem, Helena Filipsson, Sebastian Garrido, Julia Gottschalk, Anjaly Govindankutty Menon, Jeroen Groeneveld, Christian Hallman, Ingrid Hendy, Rick Hennekam, Wanyi Lu, Jean Lynch-Stieglitz, Lelia Matos, Alfredo Martínez-García, Giulia Molina, Práxedes Muñoz, Simone Moretti, Jennifer Morford, Sophie Nuber, Svetlana Radionovskaya, Morgan Raven, Christopher Somes, Anja Studer, Kazuyo Tachikawa, Raúl Tapia, Martin Tetard, Tyler Vollmer, Shuzhuang Wu, Yan Zhang, Xin-Yuan Zheng, and Yuxin Zhou
EGUsphere, https://doi.org/10.5194/egusphere-2023-2981,https://doi.org/10.5194/egusphere-2023-2981, 2024
Short summary
Mountain permafrost in the Central Pyrenees: insights from the Devaux ice cave
Miguel Bartolomé, Gérard Cazenave, Marc Luetscher, Christoph Spötl, Fernando Gázquez, Ánchel Belmonte, Alexandra V. Turchyn, Juan Ignacio López-Moreno, and Ana Moreno
The Cryosphere, 17, 477–497, https://doi.org/10.5194/tc-17-477-2023,https://doi.org/10.5194/tc-17-477-2023, 2023
Short summary
Sub-permafrost methane seepage from open-system pingos in Svalbard
Andrew J. Hodson, Aga Nowak, Mikkel T. Hornum, Kim Senger, Kelly Redeker, Hanne H. Christiansen, Søren Jessen, Peter Betlem, Steve F. Thornton, Alexandra V. Turchyn, Snorre Olaussen, and Alina Marca
The Cryosphere, 14, 3829–3842, https://doi.org/10.5194/tc-14-3829-2020,https://doi.org/10.5194/tc-14-3829-2020, 2020
Short summary
Modeling transient soil moisture limitations on microbial carbon respiration
Yuchen Liu, Matthew J. Winnick, Hsiao-Tieh Hsu, Corey R. Lawrence, Kate Maher, and Jennifer L. Druhan
Biogeosciences Discuss., https://doi.org/10.5194/bg-2018-10,https://doi.org/10.5194/bg-2018-10, 2018
Preprint withdrawn
Short summary

Related subject area

Climate and Earth system modeling
Validating a microphysical prognostic stratospheric aerosol implementation in E3SMv2 using observations after the Mount Pinatubo eruption
Hunter York Brown, Benjamin Wagman, Diana Bull, Kara Peterson, Benjamin Hillman, Xiaohong Liu, Ziming Ke, and Lin Lin
Geosci. Model Dev., 17, 5087–5121, https://doi.org/10.5194/gmd-17-5087-2024,https://doi.org/10.5194/gmd-17-5087-2024, 2024
Short summary
Implementing detailed nucleation predictions in the Earth system model EC-Earth3.3.4: sulfuric acid–ammonia nucleation
Carl Svenhag, Moa K. Sporre, Tinja Olenius, Daniel Yazgi, Sara M. Blichner, Lars P. Nieradzik, and Pontus Roldin
Geosci. Model Dev., 17, 4923–4942, https://doi.org/10.5194/gmd-17-4923-2024,https://doi.org/10.5194/gmd-17-4923-2024, 2024
Short summary
Modeling biochar effects on soil organic carbon on croplands in a microbial decomposition model (MIMICS-BC_v1.0)
Mengjie Han, Qing Zhao, Xili Wang, Ying-Ping Wang, Philippe Ciais, Haicheng Zhang, Daniel S. Goll, Lei Zhu, Zhe Zhao, Zhixuan Guo, Chen Wang, Wei Zhuang, Fengchang Wu, and Wei Li
Geosci. Model Dev., 17, 4871–4890, https://doi.org/10.5194/gmd-17-4871-2024,https://doi.org/10.5194/gmd-17-4871-2024, 2024
Short summary
Hector V3.2.0: functionality and performance of a reduced-complexity climate model
Kalyn Dorheim, Skylar Gering, Robert Gieseke, Corinne Hartin, Leeya Pressburger, Alexey N. Shiklomanov, Steven J. Smith, Claudia Tebaldi, Dawn L. Woodard, and Ben Bond-Lamberty
Geosci. Model Dev., 17, 4855–4869, https://doi.org/10.5194/gmd-17-4855-2024,https://doi.org/10.5194/gmd-17-4855-2024, 2024
Short summary
Evaluation of CMIP6 model simulations of PM2.5 and its components over China
Fangxuan Ren, Jintai Lin, Chenghao Xu, Jamiu A. Adeniran, Jingxu Wang, Randall V. Martin, Aaron van Donkelaar, Melanie S. Hammer, Larry W. Horowitz, Steven T. Turnock, Naga Oshima, Jie Zhang, Susanne Bauer, Kostas Tsigaridis, Øyvind Seland, Pierre Nabat, David Neubauer, Gary Strand, Twan van Noije, Philippe Le Sager, and Toshihiko Takemura
Geosci. Model Dev., 17, 4821–4836, https://doi.org/10.5194/gmd-17-4821-2024,https://doi.org/10.5194/gmd-17-4821-2024, 2024
Short summary

Cited articles

Abd, A. S. and Abushaikha, A. S.: Reactive transport in porous media: a review of recent mathematical efforts in modeling geochemical reactions in petroleum subsurface reservoirs, SN Appl. Sci., 3, 401, https://doi.org/10.1007/s42452-021-04396-9, 2021. 
Ahmmed, B., Mudunuru, M. K., Karra, S., James, S. C., and Vesselinov, V. V.: A comparative study of machine learning models for predicting the state of reactive mixing, J. Comput. Phys., 432, 110147, https://doi.org/10.1016/j.jcp.2021.110147, 2021. 
Anderson, R. T., Vrionis, H. A., Ortiz-Bernad, I., Resch, C. T., Long, P. E., Dayvault, R., Karp, K., Marutzky, S., Metzler, D. R., Peacock, A., White, D. C., Lowe, M., and Lovley, D. R.: Stimulating the In Situ Activity of Geobacter Species To Remove Uranium from the Groundwater of a Uranium-Contaminated Aquifer, Applied and Environmental Microbiology, 69, 5884–5891, https://doi.org/10.1128/AEM.69.10.5884-5891.2003, 2003. 
Arora, B., Dwivedi, D., Faybishenko, B., Wainwright, H. M., and Jana, R. B.: 10. Understanding and Predicting Vadose Zone Processes, in: Reviews in Mineralogy & Geochemistry, vol. 85, edited by: Druhan, J. L. and Tournassat, C., De Gruyter, 303–328, https://doi.org/10.1515/9781501512001-011, 2020. 
Bain, J. G., Blowes, D. W., Robertson, W. D., and Frind, E. O.: Modelling of sulfide oxidation with reactive transport at a mine drainage site, J. Contam. Hydrol., 41, 23–47, https://doi.org/10.1016/S0169-7722(99)00069-8, 2000. 
Download
Short summary
We demonstrate how, given a simulation of fluid and rock interacting, we can emulate the system using machine learning. This means that, for a given initial condition, we can predict the final state, avoiding the simulation step once the model has been trained. We present a workflow for applying this approach to any fluidrock simulation and showcase two applications to different fluidrock simulations. This approach has applications for improving model development and sensitivity analyses.