Search Results - "Molins, Sergi"

An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation by Molins, Sergi, Trebotich, David, Steefel, Carl I., Shen, Chaopeng

“…The scale‐dependence of geochemical reaction rates hinders their use in continuum scale models intended for the interpretation and prediction of chemical fate…”
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Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set by Molins, Sergi, Soulaine, Cyprien, Prasianakis, Nikolaos I., Abbasi, Aida, Poncet, Philippe, Ladd, Anthony J. C., Starchenko, Vitalii, Roman, Sophie, Trebotich, David, Tchelepi, Hamdi A., Steefel, Carl I.

“…This manuscript presents a benchmark problem for the simulation of single-phase flow, reactive transport, and solid geometry evolution at the pore scale. The…”
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Multi-scale Model of Reactive Transport in Fractured Media: Diffusion Limitations on Rates by Molins, Sergi, Trebotich, David, Arora, Bhavna, Steefel, Carl I., Deng, Hang

“…Reactive transport in fractured media is conceptualized as a multi-scale problem that couples a pore-scale component, which comprises Navier–Stokes flow,…”
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Understanding the hydrological response of a headwater-dominated catchment by analysis of distributed surface–subsurface interactions by Özgen-Xian, Ilhan, Molins, Sergi, Johnson, Rachel M., Xu, Zexuan, Dwivedi, Dipankar, Loritz, Ralf, Mital, Utkarsh, Ulrich, Craig, Yan, Qina, Steefel, Carl I.

“…We computationally explore the relationship between surface–subsurface exchange and hydrological response in a headwater-dominated high elevation, mountainous…”
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The Effect of Pore-Scale Two-Phase Flow on Mineral Reaction Rates by Li, Pei, Deng, Hang, Molins, Sergi

“…In various natural and engineered systems, mineral–fluid interactions take place in the presence of multiple fluid phases. While there is evidence that the…”
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Integrating Tide‐Driven Wetland Soil Redox and Biogeochemical Interactions Into a Land Surface Model by Sulman, Benjamin N., Wang, Jiaze, LaFond‐Hudson, Sophie, O’Meara, Theresa A., Yuan, Fengming, Molins, Sergi, Hammond, Glenn, Forbrich, Inke, Cardon, Zoe G., Giblin, Anne

“…Redox processes, aqueous and solid‐phase chemistry, and pH dynamics are key drivers of subsurface biogeochemical cycling and methanogenesis in terrestrial and…”
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Timing the Onset of Sulfate Reduction over Multiple Subsurface Acetate Amendments by Measurement and Modeling of Sulfur Isotope Fractionation by Druhan, Jennifer L, Steefel, Carl I, Molins, Sergi, Williams, Kenneth H, Conrad, Mark E, DePaolo, Donald J

“…Stable isotope fractionations of sulfur are reported for three consecutive years of acetate-enabled uranium bioremediation at the US Department of Energy’s…”
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A formulation for decoupling components in reactive transport problems by Molins, Sergi, Carrera, Jesús, Ayora, Carlos, Saaltink, Maarten W.

“…Reactive transport equations may become cumbersome to solve when a large number of species are coupled through fast (equilibrium) and slow (kinetic) reactions…”
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A reactive transport modeling perspective on the dynamics of interface-coupled dissolution-precipitation by Deng, Hang, Poonoosamy, Jenna, Molins, Sergi

“…In interface coupled dissolution-precipitation systems, the dynamics of the mineral-fluid interface depends on two intertwining processes: the dissolution of…”
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Pore-scale numerical investigation of the impacts of surface roughness: Upscaling of reaction rates in rough fractures by Deng, Hang, Molins, Sergi, Trebotich, David, Steefel, Carl, DePaolo, Donald

“…The roughness of solid surfaces influences mineral dissolution rates by affecting flow and transport in the near-surface regions and by increasing the surface…”
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Approaches for the Simulation of Coupled Processes in Evolving Fractured Porous Media Enabled by Exascale Computing by Molins, Sergi, Trebotich, David, Steefel, Carl I.

“…Models have historically represented fractured porous media with continuum descriptions that characterize the media using bulk parameters. The impact of…”
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A 2.5D Reactive Transport Model for Fracture Alteration Simulation by Deng, Hang, Molins, Sergi, Steefel, Carl, DePaolo, Donald, Voltolini, Marco, Yang, Li, Ajo-Franklin, Jonathan

“…Understanding fracture alteration resulting from geochemical reactions is critical in predicting fluid migration in the subsurface and is relevant to multiple…”
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Alteration and Erosion of Rock Matrix Bordering a Carbonate-Rich Shale Fracture by Deng, Hang, Voltolini, Marco, Molins, Sergi, Steefel, Carl, DePaolo, Donald, Ajo-Franklin, Jonathan, Yang, Li

“…A novel reactive transport model has been developed to examine the processes that affect fracture evolution in a carbonate-rich shale. An in situ synchrotron…”
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Mineralogical and transport controls on the evolution of porous media texture using direct numerical simulation by Molins, Sergi, Trebotich, David, Miller, Gregory H., Steefel, Carl I.

“…The evolution of porous media due to mineral dissolution and precipitation can change the bulk properties of subsurface materials. The pore‐scale structure of…”
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The Impacts of Micro‐Porosity and Mineralogical Texture on Fractured Rock Alteration by Zhang, Qian, Dong, Yanhui, Molins, Sergi, Deng, Hang

“…Geochemically driven alterations of fractures in multi‐mineral media can create altered layers (ALs) at the fracture‐matrix interface. Spatial variations in…”
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Investigation of Coupled Processes in Fractures and the Bordering Matrix via a Micro‐Continuum Reactive Transport Model by Zhang, Qian, Deng, Hang, Dong, Yanhui, Molins, Sergi, Li, Xiao, Steefel, Carl

“…In multi‐mineral fractured rocks, the altered porous layer on the fracture surface resulting from preferential dissolution of the fast‐reacting minerals can…”
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A Multicomponent Reactive Transport Model for Integrated Surface‐Subsurface Hydrology Problems by Molins, Sergi, Svyatsky, Daniil, Xu, Zexuan, Coon, Ethan T., Moulton, J. David

“…Despite the widespread use of integrated hydrology models in a variety of applications, consideration of multicomponent reactive transport is still not common…”
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Fracture Evolution in Multimineral Systems: The Role of Mineral Composition, Flow Rate, and Fracture Aperture Heterogeneity by Deng, Hang, Steefel, Carl, Molins, Sergi, DePaolo, Donald

“…Geochemical reactions add complexity to the characterization and prediction of fracture hydraulic properties because they depend on factors that are highly…”
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Pore-Scale Controls on Calcite Dissolution Rates from Flow-through Laboratory and Numerical Experiments by Molins, Sergi, Trebotich, David, Yang, Li, Ajo-Franklin, Jonathan B, Ligocki, Terry J, Shen, Chaopeng, Steefel, Carl I

“…A combination of experimental, imaging, and modeling techniques were applied to investigate the pore-scale transport and surface reaction controls on calcite…”
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Understanding the Hydrogeochemical Response of a Mountainous Watershed Using Integrated Surface‐Subsurface Flow and Reactive Transport Modeling by Xu, Zexuan, Molins, Sergi, Özgen‐Xian, Ilhan, Dwivedi, Dipankar, Svyatsky, Daniil, Moulton, J. David, Steefel, Carl

“…Climate change and other disturbances significantly impact hydrogeochemical exports from mountainous headwater catchments such as the Upper Colorado River…”
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