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DOE OSTI2024

Electrically Powered High-Salinity Brine Separation Using Dimethyl Ether

Dewatering highly saline aqueous streams, from mining and geothermal leachates to industrial wastewater, is essential for effective resource recovery and safe disposal. Membraneless water extraction (MWE) uses a low-polarity solvent to separate water from concentrated aqueous solutions. In this study, we design a new MWE that uses dimethyl ether (DME) to selectively extract water from high-salinity brines, leveraging the volatility of DME to achieve rapid solvent recovery. By separating water and dissolved salts at a liquid–liquid interface, MWE minimizes the deleterious effects of scaling on vulnerable membrane and heat exchanger surfaces, reducing the need for extensive pretreatment and expensive materials. We begin by developing a computational framework for a multistage counterflow liquid–liquid contactor, which extracts water into DME, coupled with a multistage solvent regenerator that uses vapor compression to efficiently separate the desalinated water from the DME extractant. Excess Gibbs free energy and equation of state frameworks are used to model fluid phase equilibria in water–DME–sodium chloride (NaCl) mixtures, with interaction parameters estimated from experimental data. Incorporating equilibrium calculations into a system-scale computational model, we examine the performance of MWE using DME for the first time. Our analysis demonstrates that MWE can concentrate seawater desalination brine (>1.0 mol NaCl kg –1 ) to zero-liquid discharge salinities, with an energy consumption of under 50 kW h per m 3 of water extracted with a solvent recovery ratio greater than 99.9%. We highlight the importance of staging the vapor compression process to simultaneously minimize energy consumption while enabling brine concentration and product water solvent contamination. Finally, the thermodynamic framework developed here allows for the robust evaluation of new MWE solvents and systems for critical brine concentration and fractional precipitation applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Mechanism of Chlorine-Mediated Electrochemical Ethylene Oxidation in Saline Water

Chlorine as a redox mediator allows for the selective oxidation of ethylene to 2-chloroethanol, which converts to ethylene oxide in alkaline aqueous electrolyte. This strategy utilizes abundant saline water as an electrolyte and source of oxygen atoms for functionalization. We present a mechanistic study of ethylene oxidation in saline water using cobalt oxide nanoparticle catalysts. Electrochemical kinetic analysis and in situ X-ray absorption spectroscopy suggest that the resting state of the catalyst and the rate-determining step differ for the chlorine evolution reaction in the presence and absence of ethylene. In 0.6 M NaCl pH 8 electrolyte, which resembles seawater, the average current density was ~60 mA/cm 2 with a Faradaic efficiency of ~41% toward ethylene functionalization. The use of synthetic and natural seawater achieved Faradaic efficiencies above 70%, while the partial current toward the product remained invariant. Further conversion of the initial product 2-chloroethanol into ethylene glycol was also demonstrated. Here, we present a broader vision of harnessing saline water in electrochemical functionalization of organic molecules and coproduction of hydrogen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Identification and Mitigation of Inhibitory Substances Contained in High-Salinity Crude Glycerol Generated from Biodiesel Production for Polyhydroxyalkanoate Synthesis by Haloferax mediterranei

High-salinity crude glycerol generated from biodiesel production poses significant challenges to microbial valorization due to inhibitory ingredients that severely limit microbial growth. This study identified and mitigated inhibitory substances contained in high-salinity glycerol sludge to enable its conversion to polyhydroxyalkanoates (PHAs) by the extreme halophilic archaeon Haloferax mediterranei. The long-chain fatty acids (LCFAs) were consistently identified as the primary inhibitors by liquid chromatography−mass spectrometry, Fourier transform infrared spectroscopy, and ultraviolet−visible spectroscopy. Acid precipitation at pH 2 efficiently removed these LCFAs, substantially reducing the required feedstock dilution from 23 to 3 times, improving PHA titer by 40%. Furthermore, this dilution reduction also increased the feedstock salinity utilization, achieving a 46% reduction in external salt supplementation for H. mediterranei growth. In contrast, overliming and arrested anaerobic digestion were confirmed to be ineffective in inhibitor removal. This study provides deep insights into inhibitor chemistry and presents acid precipitation as an effective pretreatment strategy for waste valorization of highsalinity crude glycerol.

LC-MS↗

DOE OSTI2023

Salinization and sedimentation drive contrasting assembly mechanisms of planktonic and sediment‐bound bacterial communities in agricultural streams

Abstract Agriculture is the most dominant land use globally and is projected to increase in the future to support a growing human population but also threatens ecosystem structure and services. Bacteria mediate numerous biogeochemical pathways within ecosystems. Therefore, identifying linkages between stressors associated with agricultural land use and responses of bacterial diversity is an important step in understanding and improving resource management. Here, we use the Mississippi Alluvial Plain (MAP) ecoregion, a highly modified agroecosystem, as a case study to better understand agriculturally associated drivers of stream bacterial diversity and assembly mechanisms. In the MAP, we found that planktonic bacterial communities were strongly influenced by salinity. Tolerant taxa increased with increasing ion concentrations, likely driving homogenous selection which accounted for ~90% of assembly processes. Sediment bacterial phylogenetic diversity increased with increasing agricultural land use and was influenced by sediment particle size, with assembly mechanisms shifting from homogenous to variable selection as differences in median particle size increased. Within individual streams, sediment heterogeneity was correlated with bacterial diversity and a subsidy‐stress relationship along the particle size gradient was observed. Planktonic and sediment communities within the same stream also diverged as sediment particle size decreased. Nutrients including carbon, nitrogen, and phosphorus, which tend to be elevated in agroecosystems, were also associated with detectable shifts in bacterial community structure. Collectively, our results establish that two understudied variables, salinity and sediment texture, are the primary drivers of bacterial diversity within the studied agroecosystem, whereas nutrients are secondary drivers. Although numerous macrobiological communities respond negatively, we observed increasing bacterial diversity in response to agricultural stressors including salinization and sedimentation. Elevated taxonomic and phylogenetic bacterial diversity likely increases the probability of detecting community responses to stressors. Thus, bacteria community responses may be more reliable for establishing water quality goals within highly modified agroecosystems that have experienced shifting baselines.

DeVilbiss, Stephen E.↗

DOE OSTI2021

Geostatistical Mapping of Salinity Conditioned on Borehole Logs, Montebello Oil Field, California

We present a geostatistics-based stochastic salinity estimation framework for the Montebello Oil Field that capitalizes on available total dissolved solids (TDS) data from groundwater samples as well as electrical resistivity (ER) data from borehole logging. Data from TDS samples (n = 4924) was coded into an indicator framework based on falling below four selected thresholds (500, 1000, 3000, and 10,000 mg/L). Collocated TDS-ER data from the surrounding groundwater basin were then employed to produce a kernel density estimator to establish conditional probabilities for ER data (n = 8 boreholes) falling below the selected TDS thresholds within the Montebello Oil Field area. Directional variograms were estimated from these indicator coded data, and 500 TDS realizations from conditional indicator simulation were generated for the subsurface region above the Montebello Oil Field reservoir. Simulations were summarized as 3D maps of median TDS, most likely salinity class, and probability for exceeding each of the specified TDS thresholds. Results suggested TDS was below 500 mg/L in most of the study area, with a trend toward higher values (500 to 1000 mg/L) to the southwest; consistent with the average regional groundwater flow direction. Discrete localized zones of TDS greater than 1000 mg/L were observed, with one of these zones in the greater than 10,000 mg/L range; however, these areas were not prevalent. The probabilistic approach used here is adaptable and is readily modified to include additional data and types and can be employed in time-lapse salinity modeling through Bayesian updating.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

The Amazon Water Cycle: Perspectives from Water Budget Closure and Ocean Salinity

Global and regional water cycle includes precipitation, water vapor divergence, and change of column water vapor in the atmosphere, and land surface evapotranspiration, terrestrial water storage change, and river discharge, which is linked to ocean salinity near the river mouth. The water cycle is a crucial component of the Earth system, and numerous studies have addressed its individual components (e.g., precipitation). Here we assess, for the first time, if remote sensing and reanalysis datasets can accurately and self-consistently portray the Amazon water cycle. This is further assisted with satellite ocean salinity measurements near the mouth of the Amazon River. The widely used practice of taking the mean of an ensemble of datasets to represent water cycle components (e.g., precipitation) can produce large biases in water cycle closure. Additionally, closure is achieved with only a small subset of data combinations (e.g., ERA5 precipitation and evapotranspiration plus GRACE satellite terrestrial water storage), which rules out the lower precipitation and higher evapotranspiration estimates, providing valuable constraints on assessments of precipitation, evapotranspiration, and their ratio. The common approach of using the Óbidos stream gauge (located hundreds of kilometers from the river mouth) multiplied by a constant (1.25) to represent the entire Amazon discharge is found to misrepresent the seasonal cycle, and this can affect the apparent influence of Amazon discharge on tropical Atlantic salinity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

AmeriFlux FLUXNET-1F US-LA3 Barataria Bay Saline Marsh

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-LA3 Barataria Bay Saline Marsh. This is the FLUXNET version of the carbon flux data for the site US-LA3 Barataria Bay Saline Marsh produced by applying the standard ONEFlux (1F) software. Site Description - Saline marsh, 20-40% organic matter, microtidal, dominated by Spartina alterniflora + Juncus roemarianus, patchy open water area

Ward, Eric [University of Maryland]↗

DOE OSTI2024

Effects of salinity and nutrients on metabolism and growth of Ulva lactuca: implications for bioremediation in San Diego Bay and Coastal Watershed

Our project sought to explore the ability of seaweed (Ulva lactuca) farms to clean polluted waterways of excess nitrogen and phosphorus through bioremediation. We addressed this goal in three primary ways. First, we worked with an undergraduate student from the Environmental Sciences Department at SDSU (Emily Bews) to examine how Ulva would perform under elevated nutrients and decreased salinity conditions, such as would be expected on the seaweed farms during periods of high rainwater runoff. This would show whether Ulva could indeed be grown on farms during these periods. We conducted laboratory experiments at SDSU’s CMIL (marine laboratory) using orthogonal combinations of two salinities and three nutrient loadings, and measured several aspects of Ulva physiology, namely growth, photosynthetic rates, chlorophyll fluorescence, and stable isotope analyses of Ulva’s tissues, and tissue uptake of phosphorus and nitrogen. Our results clearly show Ulva is an ideal candidate for using on farms during periods of heavy rains and takes up excess nutrients. The results of this were published in Marine Pollution Bulletin, with undergraduate Bews as lead author (Bews, E., L. Booher, T. Polizzi, C. Long, J-H Kim, MS Edwards. 2021. Effects of salinity and nutrients on metabolism and growth of Ulva lactuca: implications for bioremediation of coastal watersheds. Marine Pollution Bulletin 166: 121299.).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Salinity Stress and the Holobiont: Investigating Algal-Bacterial Interactions in Chrysochromulina tobinii

Algae and bacteria form a symbiotic partnership, known as a ”holobiont”, in which both partners provide critical nutrients to each other. Previous research indicates that the composition and structure of the holobiont plays a crucial role in the algal response to environmental stressors, with expression trends varying under stress conditions. Given the increasing prevalence of salinity shifts due to climate change, investigating the responses of these aquatic organisms to salt stress is essential. This is especially true because algae are ecologically and economically important, serving as a nutritive food source for a large range of eco-cohorts and holding potential for biofuel and nutraceutical applications. This study aimed to examine how holobiont community structure is altered in response to salinity shifts and to assess the corresponding changes in gene expression. Metagenomic and metatranscriptomic approaches were utilized to analyze the interactions between the algae, Chrysochromulina tobinii, and its associated bacterial community under varying salinity conditions. Our findings provide insight into the metabolic adaptations of the holobiont and enhance understanding of the survival mechanisms employed in response to osmotic stress.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Modeling the Cost of CO2 Saline Storage on a Regional and National Level

This poster presents the results of using the FECM/NETL CO2 Saline Storage Cost Model (CO2_S_COM) to evaluate the cost of saline storage in potential storage formations in the lower 48 U.S. states. Costs were calculated for 314 saline storage formations in the CO2_S_COM geologic property database. These results were used to generate national and regional cost-supply curves. In addition, a sensitivity analysis was performed that quantified how modifying several input variables in CO2_S_COM affected the costs. Poster presented (virtual) at the 2024 AGU Conference, December 9-13, 2024, Washington, D.C.

Morgan, David [NETL]↗

DOE OSTI2024

FECM/NETL CO 2 Saline Storage Cost Model (2024): User’s Manual

The U.S. Department of Energy's (DOE) Office of Fossil Energy and Carbon Management (FECM), in collaboration with the National Energy Technology Laboratory (NETL), has developed the FECM/NETL CO 2 Saline Storage Cost Model (CO2_S_COM). This Excel-based tool provides a comprehensive framework for estimating the costs and breakeven prices associated with storing carbon dioxide (CO 2 ) in deep saline formations. Designed from the perspective of a CO 2 storage site owner, the CO2_S_COM incorporates four integrated modules—project management, financial analysis, activity cost estimation, and geological evaluation—to deliver fast, robust, and actionable insights for evaluating project finances. This is the user's manual for CO2_S_COM. The model may be accessed at this link: FECM/NETL CO2 Saline Storage Cost Model CO2_S_COM 2024 (v4) - Submissions - EDX

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Screening Assessment of Prospective CO 2 Storage Resource Potential in Saline Carbonate Systems, Central North Dakota Region

Conference presentation at 2023 Rocky Mountain Section-American Association of Petroleum Geologists (RMS-AAPG) Annual Meeting, Bismarck, ND, June 4–6, 2023. As part of the U.S. Department of Energy-funded North Dakota CarbonSAFE Phase III effort, a screening-level assessment was conducted over central North Dakota, including McLean, Mercer, and Morton Counties, to determine if viable CO 2 storage resource potential exists within carbonate saline reservoirs. Published literature and data from 173 wells were used in the study. The study focused on identifying carbonate saline reservoirs and suitable confining zones for CO 2 storage, with emphasis on three key questions: 1) are the carbonate saline reservoirs viable for CO 2 storage? 2) what is their range of storage resource potential? and 3) what are the main elements driving uncertainty and risk of potential capacity and containment?

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2021

Electrical and Seismic Response of Saline Permafrost Soil during Freeze - Thaw Transition: Supporting Data

These data were collected during a repeat freeze-thaw cycle on a saline permafrost portion of a core to understand mechanical and geophysical property changes over time. The core used for the experiment was collected from the NGEE-Arctic Site 0 transect site located in the Barrow Environmental Observatory (BEO) in Barrow, Alaska. This region features polygonal ground, and the core was collected in the center of a flat centered polygon. The saline permafrost portion of the core was at the bottom 260-280 cm below ground surface. Data files (*.csv) include: Electrical signal change during freeze-thaw-refreeze cycle at 1 Hz; Spectral data - Complex resistivity data during Freeze-thaw of the saline permafrost core; Seismic data; and CT cross sections (*.jpg) of the core sample from approximately the same location: (A, D) before the test (thawed), (B, E) after the test (frozen), and (C, F) after deep freeze (frozen).The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Switchable system for high-salinity brine desalination and fractional precipitation

A saline feed stream flows into a liquid-liquid extraction system; and a volatile organic solvent flows through a main compressor. The compressed volatile organic solvent then flows through a solvent regenerator, which can be a heat exchanger or a combination of a vaporization device and a condenser, to cool the volatile organic solvent. The cooled volatile organic solvent in liquid phase then flows into the liquid-liquid extraction system, where the saline feed stream contacts the volatile organic solvent to selectively extract water from the saline feed stream into the volatile organic solvent, producing a concentrated brine and an organic-rich mixture of water and the volatile organic solvent. The organic-rich mixture flows from the liquid-liquid extraction system into the solvent regenerator, where the organic-rich mixture is heated to produce an organic-rich vapor and desalinated water; and the organic-rich vapor is recycled as volatile organic solvent back into the liquid-liquid extraction system.

Wilson, Aaron D.↗

DOE OSTI2024

Modeling Cost of Offshore Carbon Storage in Saline Reservoirs

Poster presentation to the AAPG-SEG-SPE CCUS 2024 Conference. Offshore saline reservoirs provide a significant and accessible resource for geologic carbon storage (CS). The offshore environment requires distinct approaches to site selection, operations, monitoring, and risk that affect the technoeconomic assessment of offshore CS projects. The National Energy Technology Laboratory (NETL) has developed a CS cost model for offshore saline reservoirs known as CO2_S_COM_Offshore. Based on NETL’s widely used CO2_S_COM cost model for onshore saline CS, CO2_S_COM_Offshore enables technoeconomic analysis of CS in offshore areas. This model comprehensively incorporates multiple facets of offshore CS projects, from regional evaluation and site selection to permitting, transport, operations, monitoring, site closure, and decommissioning. Developed to model cost for offshore United States (US) Exclusive Economic Zones, aspects of this model can be adapted to international projects. Presented at the SPE/AAPG/SEG Carbon Capture Utilization and Storage Conference in Houston, TX, March 11-13, 2024.

Mark-Moser, Mackenzie K.↗

DOE OSTI2024

Modeling the Cost of Onshore CO2 Pipeline Transport and Onshore CO2 Saline Storage

This paper describes the FECM/NETL CO2 Transport Cost Model (CO2_T_COM), a technoeconomic model of CO2 transport by pipeline, and the FECM/NETL CO2 Saline Storage Cost Model (CO2_S_COM), a technoeconomic model of storage of CO2 in a deep, subsurface saline formation. The results of applying CO2_T_COM to calculate break-even CO2 prices to transport CO2 at different mass flow rates and different distances are presented. Similarly, CO2_S_COM is used to calculate the break-even CO2 price for storing CO2 in 314 potential storage formations across the US. These break-even prices are used to construct cost-supply curves for CO2 storage which are presented on a national and regional basis. CO2_T_COM and CO2_S_COM are the most comprehensive open source technoeconomic models available for analyzing CO2 pipeline transport and CO2 saline storage. To be presented at the SPE?AAPG/SEG Carbon Capture Utilization and Storage Conference in Houston, TX, March 11-13, 2024.

Morgan, David↗

DOE OSTI2022

Simulated CO 2 storage efficiency factors for saline formations of various lithologies and depositional environments using new experimental relative permeability data

Saline formations are attractive geologic reservoirs for permanent carbon dioxide (CO 2 ) storage. Here, the U.S. Department of Energy's National Energy Technology Laboratory (DOE-NETL) has worked to develop and refine methods and tools for the calculation of CO 2 storage potential in subsurface reservoirs. DOE-NETL's CO 2 -SCREEN provides an online tool for executing these storage methods. CO 2 storage efficiency terms are input parameters in DOE-NETL's methods and equations embedded in the CO 2 -SCREEN, which assesses pore space available for CO 2 storage. In this work, a modeling workflow was initiated to refine two CO 2 storage efficiency terms - volumetric displacement (E V ) and microscopic displacement (E d ). The models are based on new experimental relative permeability data that are specific to homogenous lithology and depositional environments of key subsurface saline formations targeted for CO 2 storage. In future work, heterogenous features will be added to this initial modeling effort to update efficiency factors as described in DOE-NETL's methods and CO 2 -SCREEN tool. E V accounts for the volume utilized in the reservoir under the areal plume, while E d accounts for saturation values in the plume to assess efficiency of CO 2 storage at the pore scale. The results of this work are significant in that prior values were based on a limited geologically non-specific relative permeability data set that were collected prior to 2009. Specifically, we applied numerical simulations using TOUGH3 models to update CO 2 storage efficiency values for supercritical CO 2 injection into brine-saturated reservoirs for three lithologies (clastics, limestone, dolomite) and six depositional environments (Marginal Marine, Strand Plain, Deltaic Complex Fluvial, Aeolian, Shallow Marine, and Reef) that have a high potential for geologic CO 2 storage. Experimental relative permeability data in cores from these environments were utilized in the models with corresponding rock type/sedimentary environment. Results of this study showed that dolomite followed by limestone generated higher ranges of storage efficiency compared to clastics. The updated values provided a tighter efficiency range for clastics, lower P 10 but higher P 90 range for limestone, and higher P 10 and P 90 for dolomite. In general, tighter reservoirs with relatively low permeability and porosity were associated with higher E V and E d , showing efficient reservoir and pore utilization in these scenarios. High reservoir pressure and temperature associated with increasing depth increased the E V , and high CO 2 injection rates resulted in increases in E V and E d , while the impact of permeability anisotropy was minimal after the 30-year injection period.

03 NATURAL GAS↗

DOE OSTI2025

Ion Clusters Reveal the Sources, Impacts, and Drivers of Freshwater Salinization

Population growth, land use change, climate change, and natural resource extraction are driving the salinization of freshwater resources worldwide. Reversing these trends will require data-centric approaches that identify salt sources, environmental drivers, and ecosystem responses. In this study, we applied principal component analysis and hierarchical clustering to identify ion covariance patterns, or “ion clusters,” in Broad Run, an urban stream in the Mid-Atlantic United States. These clusters correspond to distinct hydrologic regimes and reveal specific salinization risks: (1) phosphorus pollution mobilized during summer storms (Cluster 1); (2) elevated concentrations of sulfate and bicarbonate during baseflow (Cluster 2), likely reflecting groundwater discharge; and (3) elevated specific conductance and sodium, chloride, and potassium ion concentrations during snowmelt and rain-on-snow events (Cluster 3), driven by deicer and anti-icer wash-off. These ion fingerprints offer a transferable framework for diagnosing salt sources, assessing ecological risk, and identifying management targets. Our findings underscore the need for next-generation stormwater infrastructure and smart growth policies to protect aquatic life in rapidly urbanizing watersheds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗