H21N:
Modeling of Reactive Transport Processes Across Scales II Posters


Submit an Abstract to this Session


Session ID#: 50368

Session Description:
Intimate coupling between geochemical reactions (e.g. mineral dissolution/precipitation, adsorption and ion exchange) and hydrodynamic processes (e.g. diffusion and mixing) controls solute transport in various hydrological systems and the dynamic evolution of the hydraulic properties of these systems. Improved modeling capability for the coupled reactive transport processes at scales ranging from pores to reservoirs/watersheds is critical for studies of the Earth’s Critical Zones and deeper subsurface environments.

This session aims to highlight recent advances in reactive transport modeling and to encourage discussions of the challenges and opportunities of applying it to address research topics in fields such as hydrology and biogeochemistry. We welcome submission of abstracts on (1) experiments and field observations for model development and validation, (2) new modeling approach and capabilities that capture multi-physical processes (e.g. multiphase reactive transport, THMC), (3) modeling efforts that bridge different spatial and temporal scales, (4) comparisons and benchmarks of different modeling approaches.

Primary Convener:  Hang Deng, Lawrence Berkeley National Laboratory, Berkeley, CA, United States
Conveners:  Katharine Maher, Stanford University, Earth System Science, Stanford, CA, United States and Carl I Steefel, Lawrence Berkeley National Laboratory, Berkeley, United States
Primary Liaison:  Hang Deng, Lawrence Berkeley National Laboratory, Berkeley, CA, United States
Chairs:  Hang Deng, Peking University, Beijing, China and Katharine Maher, Stanford University, Earth System Science, Stanford, CA, United States
OSPA Liaison:  Hang Deng, Peking University, Beijing, China
Index Terms:

0430 Computational methods and data processing [BIOGEOSCIENCES]
1831 Groundwater quality [HYDROLOGY]
1847 Modeling [HYDROLOGY]

Abstracts Submitted to this Session:

Modelling the Long Term Sorption Diffusion Experiment (LTDE-SD) at Äspö HRL Using a Microtomography-based Inter-granular Network (347711)
Björn Gylling1, Aitor Iraola2, Paolo Trinchero2, Mikko Voutilainen3, Dirk Bosbach4 and Guido Deismann4, (1)Gylling GeoSolutions, Evanston, IL, United States, (2)Amphos 21, Barcelona, Spain, (3)University of Helsinki, Helsinki, Finland, (4)Forschungszentrum Jülich GmbH, Jülich, Germany
Mixing-limited Bimolecular Chemical Reactions Under Flow Heterogeneities at Pore-scale (354363)
Lazaro J. Perez1, Alexandre Puyguiraud1, Juan J Hidalgo1, Joaquin Jimenez-Martinez2 and Marco Dentz1, (1)IDAEA-CSIC, Barcelona, Spain, (2)Swiss Federal Institute of Technology (ETH Zurich), Institute of Environmental Engineering, Zurich, Switzerland
Delivering diffusion on time with PhEDEx: Ballisticules, mobile-mobile mass exchange, and mixing-limited reactions (382812)
Timothy R Ginn, Washington State University, Civil and Environmental Engineering, Pullman, WA, United States
Impact of Mixing on Fluid-solid Reactions (389279)
Charlotte Le Traon, Chateaubourg, France, Katharine Maher, Stanford University, Earth System Science, Stanford, CA, United States and Tanguy Le Borgne, University of Rennes 1, Géosciences Rennes UMR 6118, Rennes, France
Migration behavior of storm waters within water-saturated porous media – Laboratory experiments and reactive transport simulations (390342)
Martin Binder1, Falk Handel1, Diana Burghardt1, Henning Prommer2,3, Felix Tritschler1,4, Peter Dietrich4,5 and Rudolf Liedl1, (1)Technische Universität Dresden, Institute of Groundwater Management, Dresden, Germany, (2)University of Western Australia, School of Earth and Environment, Perth, WA, Australia, (3)CSIRO Land and Water, Wembley, Australia, (4)Helmholtz Centre for Environmental Research UFZ Leipzig, Department Monitoring and Exploration Technologies, Leipzig, Germany, (5)University of Tübingen, Centre for Applied Geosciences, Tübingen, Germany
The Space-Time Adaptive Smoothing Approach to Reactive Random Walk Particle Tracking (390745)
Guillem Sole-Mari1, Daniel Fernandez-Garcia2, Diogo Bolster3 and Xavier Sanchez-Vila2, (1)Universitat Politècnica de Catalunya, Civil and Environmental Engineering (DECA), Barcelona, Spain, (2)Universitat Politècnica de Catalunya, Department of Civil and Environmental Engineering, Barcelona, Spain, (3)University of Notre Dame, Notre Dame, IN, United States
Applying the Spatial Markov Model to predicting breakthrough curves in laboratory column experiments (396837)
Diogo Bolster, University of Notre Dame, Civil and Environmental Engineering and Earth Sciences, Notre Dame, IN, United States, Thomas Sherman, University of Notre Dame, Notre Dame, IN, United States, Kamini Singha, Colorado School of Mines, Department of Geology and Geological Engineering, Golden, CO, United States and Allan Foster III, Colorado School of Mines, Hydrologic Science and Engineering, Golden, CO, United States
Comprehensive Modeling of Structural, Solubility, and Chemical Trapping of Supercritical CO2 in Deep Brine Formations (405239)
Joachim Moortgat1, Judy Zhu1, David R Cole2, David E Graham3, Susan M Pfiffner4 and Tommy Phelps5, (1)Ohio State University Main Campus, School of Earth Sciences, Columbus, OH, United States, (2)The Ohio State University, Columbus, United States, (3)Oak Ridge National Lab, Biosciences Division, Oak Ridge, United States, (4)University of Tennessee, Knoxville, TN, United States, (5)University of Tennessee at Knoxville, Knoxville, United States
Upscaling mixing-driven processes in heterogeneous porous media (411188)
Elise E Wright1, Giovanni Porta2, Nicole Lyn Sund1, David H Richter3 and Diogo Bolster1, (1)University of Notre Dame, Notre Dame, IN, United States, (2)Politecnico di Milano, Milano, 20133, Italy, (3)University of Notre Dame, Department of Civil & Environmental Engineering & Earth Sciences, Notre Dame, United States
Comparison of SFT and MPNE Model to Predict Fate of Reactive Solute Transport through Porous Media: A Modelling Approach (412439)
Abhimanyu Sharma, Ben-Gurion University of the Negev Midreshet, Zuckerberg Institute of Water Research, Sde Boker, Israel and Dr. Deepak Swami, Associate Professor, School of Civil and Environmental Engineering, Indian Institute of Technology Mandi, Mandi, India
Evaluating the effect of velocity correlation on the spatial Evolution of Breakthrough curves in heterogeneous porous media (420780)
Arash Massoudieh, Catholic University of America, Washington, United States and Marco Dentz, IDAEA-CSIC, Barcelona, Spain
Hydrological Model Intercomparison: Subsurface Flow and Reactive Transport Simulation in the Oasis-Desert Interaction Zone (431169)
Zheng Lu1, Jinhui Tong1, Chen Yang2, Tao Che3, Xiaofan Yang4 and Shaomin Liu1, (1)Faculty of Geographical Science, Beijing Normal University, Beijing, China, (2)Princeton University, Civil & Environmental Engineering, Princeton, NJ, United States, (3)Northwest Institute of Eco-Environment and Resources, Chinese Academy of Sciences, Lanzhou, China, (4)Beijing Normal University, Faculty of Geographical Science, Beijing, China
Modeling Reductive Dechlorination in a Heterogeneous Laboratory Aquifer Cell (452408)
Lurong Yang1, Jason P. Hnatko1, Jack L. Elsey1, Kurt D Pennell2, Natalie L Capiro1 and Linda M Abriola1, (1)Tufts University, Civil and Environmental Engineering, Medford, MA, United States, (2)Brown University, School of Engineering, Providence, RI, United States
A Lagrangian Method for Reactive Transport with Solid/Aqueous Chemical Phase Interaction (466747)
Michael Schmidt1, Stephen Pankavich1, Alexis Navarre-Sitchler2 and David Andrew Benson3, (1)Colorado School of Mines, Golden, CO, United States, (2)Colorado School of Mines, Department of Geology & Geological Engineering, Hydrologic Science & Engineering, Golden, United States, (3)Colorado School of Mines, Hydrologic Science and Engineering, Golden, CO, United States
Reactive solute transport in an asymmetrical fracture-rock matrix system (361463)
Renjie Zhou, Texas A&M University College Station, Department of Geology & Geophysics, College Station, TX, United States and Hongbin Zhan, Texas A&M Univ, College Station, TX, United States
Multiphase Biogeochemical Model to Predict Microbially Induced Desaturation and Precipitation at Field-Scale (355586)
Dr. Caitlyn A Hall, Arizona State University, Tempe, United States and Leon A van Paassen, Arizona State University, Tempe, AZ, United States
Laboratory Simulations of Engineered Injection and Extraction in Porous Media using Laser-Induced Fluorescence (453672)
Eric J Roth1, John P Crimaldi1, David C Mays2, Roseanna Neupauer3 and Lauren J Sather1, (1)University of Colorado Boulder, Department of Civil, Environmental and Architectural Engineering, Boulder, CO, United States, (2)University of Colorado Denver, Civil Engineering, Denver, CO, United States, (3)University of Colorado Boulder, Department of Civil, Environmental and Architectural Engineering, Boulder, United States
A Reactive Transport Model of CaSiO3 Reactions for Targeted Mineral Precipitation in Porous Media (437497)
Florence T Ling, Princeton University, Civil and Environmental Engineering, Princeton, NJ, United States; La Salle University, Department of Biology, Environmental Science Program, Philadelphia, PA, United States, Dan Plattenberger, National Renewable Energy Laboratory Golden, Golden, CO, United States, Andres F Clarens, University of Virginia, Department of Civil and Environmental Engineering, Charlottesville, VA, United States and Catherine A Peters, Princeton University, Princeton, NJ, United States
Experimental Examination of the Coupled Dissolution-Precipitation Kinetics of Ca-Feldspar and Calcite at 80oC (450932)
Adam Josef Mitton, University of Calgary, Calgary, AB, Canada, Michael Nightingale, University of Calgary, Department of Earth, Energy, and Environment, Calgary, AB, Canada and Benjamin M Tutolo, University of Calgary, Department of Geoscience, Calgary, AB, Canada
Impact of Pore-Scale Processes on Silicate Dissolution Kinetics (459989)
Bastien Wild1, Claire White1 and Ian C Bourg2, (1)Princeton University, Princeton, NJ, United States, (2)Princeton University, Department of Civil and Environmental Engineering, Princeton, NJ, United States
Role of local heterogeneities on the localization of dissolution and precipitation reactions during acidic fluid percolation through different limestone samples (434305)
Linda Luquot, CNRS, Géosciences Montpellier, Paris Cedex 16, France, Jesus Carrera, Institute of Environmental Assessment and Water Research (IDAEA), CSIC, c/ Jordi Girona 18, 08034, Barcelona, Spain and Olivier Rodriguez, Voxaya SAS, Montpellier, France
Development of a new porosity-permeability relationship for improved permeability prediction in non-uniform reaction scenarios (414938)
Jeffrey Steinwinder, Auburn University, Civil Engineering, Auburn, AL, United States, Jacob Bensinger, Auburn University, Auburn, AL, United States and Lauren E Beckingham, Auburn University, Department of Civil and Environmental Engineering, Auburn, United States
Deciphering wormhole initiation and development using reactive transport modeling and morphological detection algorithms (453577)
Hang Deng, Lawrence Berkeley National Laboratory, Berkeley, CA, United States, Roxana Bujack, Los Alamos National Laboratory, Los Alamos, United States, Sergi Molins, Lawrence Berkeley National Laboratory, Earth and Environmental Sciences, Berkeley, CA, United States, Carl I Steefel, Lawrence Berkeley National Laboratory, Berkeley, United States and James Ahrens, Los Alamos National Laboratory, Los Alamos, NM, United States
Fully coupled biogeochemical reactive transport model to simulate microbial oxidation of organic carbon and pyrite under nitrate-reducing conditions (353112)
Irina Engelhardt1, Dustin Knabe1, Christoph Kludt2, Diederik Jacques3 and Peter C Lichtner4, (1)TU Berlin, Hydrogeology, Berlin, Germany, (2)Hessian Agency for Nature Conservation, Environment and Geology, Hydrogeology, Wiesbaden, Germany, (3)Belgian Nuclear Research Center, Mol, Belgium, (4)OFM Research, Redmond, CA, United States
Chemical Specialization Under The Single Instruction Multiple Data Paradigm: A Step Towards An Efficient Parallelization Of Reactive Transport Problems On GPU. (387114)
Pablo Gamazo1, Lucas Bessone2, Julian Ramos2, Elena Alvareda2, Gonzalo Sapriza-Azuri2 and Pablo Ezzatti3, (1)Universidad de la República, CENUR Litoral Norte, Departamento del Agua, Salto, Uruguay, (2)Universidad de la República, Uruguay, Departamento del Agua (Water Department), Salto, Uruguay, (3)Universidad de la República, Uruguay, Facultad de Ingeniería, Montevideo, Uruguay
Data Driven Identification of Solute Transport Processes (385595)
Haibin Chang and Dongxiao Zhang, Peking University, Department of Energy and Resources Engineering, Beijing, China
A Kriging-based Multiscale Interface for Flow and Reactive Transport (431156)
Xuhui Meng, Beijing Computational Science Research Center, Beijing, China, Yu-Hang Tang, Lawrence Berkeley National Laboratory, SanFransisco, CA, United States, Zhaoli Guo, Huazhong University of Science and Technology, Wuhan, China, Xiaofan Yang, Beijing Normal University, Faculty of Geographical Science, Beijing, China and George Em Karniadakis, The Division of Applied Mathematics, Brown University, Providence, RI, United States
Mass transport driven by dynamic boundary conditions (416977)
Bowen Ling, Stanford University, Stanford, CA, United States and Ilenia Battiato, Stanford University, Energy Resources Engineering, Stanford, CA, United States

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