GEOC symposium list:
Molecular modeling of surface-mediated electrochemical and sorption reactions at environmental interfaces
This symposium seeks to bring together researchers who are developing and/or applying state‐of‐the‐art atomistic and multi‐scale computational methods to gain fundamental understanding of the complex interplay between structure, reactivity and species dynamics at environmental interfaces. Of special interests are investigations aiming to provide molecular‐level insights into the nano‐scale complexity of environmental interfaces with an emphasis on determination of the (electro)‐chemical and sorption reaction mechanisms that control the thermodynamics and kinetics of surface reactivity and the overall macroscopic behavior of the bulk and nano‐scale phases in the environment. Collaborative studies that include the application of molecular modeling to rationalize and guide experiments are very welcome.
Topics of interest include but are not limited to:
• Simulations to elucidate structure-‐reactivity-‐property relationships of mineral/fluid interfaces
• Adsorption and sequestration of inorganic and organic compounds in soil and sediments
• Speciation, fate and transport of pollutants in the environment
• Biogeochemical cycling of elements in the natural environment
• Modeling of biodegradation pathways and kinetics
Vitaly Alexandrov, University of Nebraska‐Lincoln, e-mail: email@example.com
Sara Mason, University of Iowa, e-mail: firstname.lastname@example.org
Experimental Studies of the Molecular Scale Processes at Environmental Interfaces
Molecular scale processes at mineral-water interfaces control the environmental cycling and transformations of nutrients and contaminants in surface water, soil, and atmosphere. These complex transformations include redox and sorption reactions and phase changes. The involved reactions dictate the speciation, and ultimately the fate and transport of affected elements. Understanding interfacial chemistry is crucial for the assessment of environmental risks posed by the transport and transformations of pollutants, as well as the cycling and recovery of nutrients in natural and engineered systems. This symposium will highlight recent experimental results focused on the molecular scale processes controlling interface structure and reactivity, as elucidated using spectroscopic methods, stable or radioactive isotope tracers, and other probing techniques. We invite contributions addressing these transformations in relatively well-characterized model systems, in natural and engineered systems, as well as describing the advances in experimental design and technique development for interrogating interfacial processes.
Anastasia Ilgen, Sandia National Laboratories, e-mail: email@example.com
Hsiu-Wen Wang, Oak Ridge National Laboratory, e-mail: firstname.lastname@example.org
Ashaki Rouff, Rutgers University, e-mail: email@example.com
Eef Elzinga, Rutgers University, e-mail: firstname.lastname@example.org
Interfacial Biogeochemical Controls on Inorganic Contaminants
The speciation and mobility of a range of inorganic contaminants is often controlled by reactions occurring at interfaces where biogeochemical gradients exist. These interfaces may range in scale from the nanometer to meter and include mineral-water (e.g., sorption/electron transfer), plant root-microbe-water (rhizosphere transformations), and terrestrial-water (upland to lowland environments) systems. Presentations that incorporate a range of interfaces on transformation and mobility of inorganic contaminants at small and large spatial scales are encouraged. Specific topics may include presentations covering environmental stability and geochemical reactivity of single-phase nanomaterials and their aggregates, and the characterization of more complex assemblages that arise from the formation or introduction of nanomaterials in the natural environment, transformations of inorganic contaminants in the rhizosphere, and transformations of inorganic contaminants across large-scale biogeochemical gradients.
Matt Ginder-Vogel, University of Wisconsin-Madison, e-mail: email@example.com
Angelia Seyfferth, University of Delaware, e-mail: firstname.lastname@example.org
Geochemistry under nano-confinement
Nanopores are ubiquitous in geologic media such as clays, coal and shale. The effects of nanopore confinement on geofluid properties, mineral-fluid interface chemistry, fluid transport, and overall fluid-rock interactions have recently become an active research area. Such effects have important implications to the development of unconventional gas/oil resources, subsurface CO2 sequestration and storage, and nuclear waste repositories. Complex nanopore structures and surface properties pose a challenge in understanding the coupled multiphysics involved in non-Darcy fluid flow and reactive transport within low-permeability geologic media. A better understanding of geochemical and environmental considerations under nanopore confinement is essential to design subsurface operation strategies, predicting performance, and assessing potential risks. This session seeks experimental and theoretical contributions with a focus on geofluid interactions, geochemical tracers (isotopes, organics, metals), and water chemistry under nano-confinement for understanding the mechanisms and processes involved in generation, migration, trapping, and recovering of hydrocarbons and other geofluids in low-permeability systems. We welcome imaging, experiments, and modeling contributions from the molecular to the continuum scale. Topics of interest include, but are not limited to, reactive transport, mineral-brine interactions, the properties of geofluids (e.g., water, hydrocarbon, CO2), adsorption, osmotic effects related to shale gas extraction, geologic storage of CO2, nuclear waste disposal and other applications.
I. Yucel Akkutlu, Texas A&M University, e-mail: email@example.com
Yifeng Wang, Sandia National Laboratories, e-mail: firstname.lastname@example.org
Geochemistry of the Subsurface – CO2 Sequestration, Unconventional Oil & Gas Extraction, Geothermal Reservoirs, and Radioactive Waste Disposal
Geochemical processes and transformations in the subsurface are strongly linked to permeability, fluid transport, and rock mechanics that govern extraction efficiency, storage capacity, sealing integrity and injectate fate in energy related operations such as geologic carbon storage, enhanced oil and gas recovery, geothermal operations, and the safe disposal of radioactive waste. Subsurface geochemical research is challenging because reservoir depths impede extensive field studies and dictate high-pressures that complicate in situ laboratory experiments. Yet, there is a real need to understand chemical interactions between geologic media and high-pressure fluids to not only enhance predictive modeling efforts and reduce risks but also to enable informed decisions about how pore fluids could be manipulated to control fracture properties to improve performance of energy extraction and long-term waste storage, including CO2 and produced waters. This symposium will feature invited and contributed talks on field, laboratory, and computational studies. We are seeking papers on a wide range of topics including but not limited to:
• Clay expansion/hydration processes in the subsurface;
• CO2 geologic sequestration by mineral carbonation, solubility, and physical trapping;
• Relationship between injectate fluid chemistry and subsurface response;
• Gas adsorption/desorption processes related to natural gas recovery;
• Manipulating injectate composition to enhance or reduce permeability;
• Advanced engineering of fluids for better heat extraction from geothermal reservoirs;
• Rock and mineral stabilities as related to compressed air energy storage reservoirs;
• Water-rock-additive interactions governing degradation, transformation and mobility of organics;
• Source and fate of naturally occurring radioactive materials in produced waters; and
• Novel analytical and computational techniques for identification of chemical signatures.
John Loring, Pacific Northwest National Laboratory, e-mail: John.Loring@pnnl.gov
Nat Warner, Pennsylvania State University, e-mail: email@example.com
David Dixon, University of Alabama, e-mail: firstname.lastname@example.org
Bill Burgos, Penn State University, e-mail: WDB3@engr.psu.edu
This is a general session for the Geochemistry Division. This session accepts both oral and poster contributions, including posters for the SCI-MIX session.
Anastasia Ilgen, Sandia National Laboratories, e-mail: email@example.com