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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Optimal design of multi-stage vacuum membrane distillation and integration with supercritical water desalination for improved zero liquid discharge desalination

Herein this paper proposes a novel concept for the optimal design of multi-stage vacuum membrane distillation (VMD). Generally, a multi-stage VMD is designed with an equal temperature difference between each stage. However, such a design is energy inefficient and increases VMD area. An analytical methodology for calculating the optimal stage temperature is proposed. By selecting the optimal stage temperature, the energy efficiency and required membrane area can be potentially improved by 16% and 30%, respectively. The proposed concept applies to all heat sources, including latent, sensible, and waste heat. To illustrate the method, multi-stage VMD is integrated with the waste heat from a supercritical water desalination (SCWD) system to achieve zero liquid discharge. SCWD is an energy-intensive process, requires high-quality thermal heat (>450 °C), and exhibits high waste heat rejection. The integrated VMD-SCWD approach is approximately 50% more energy-efficient and 35% more cost-efficient than the standalone SCWD system. Compared to the commercially used brine concentrator and crystallizer, the multi-stage VMD-SCWD system is more energy efficient for feed concentrations >5%. VMD-SCWD system is 30% cheaper, due to less expensive membrane distillation modules compared to a brine concentrator. The proposed design concept can replace the brine concentrator and crystallizer as an improved alternative for a zero-liquid discharge desalination system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Machine learning-assisted upscaling analysis of reservoir rock core properties based on micro-computed tomography imagery

Optimum solutions for geologic modeling and reservoir simulation in industries such as oil and gas recovery and carbon capture and storage require accurate characterization of reservoir properties, which are often heterogeneous. In this study, high-quality micro-computed tomography (CT) images (1.475-μm/pixel resolution) of a sandstone core acquired from the Bell Creek oil field, USA, were used to provide nondestructive analysis of pore- and core-scale heterogeneity across measurement scales of 94–566 μm. In addition to characterizing the as-received sample, the core sample was flooded with brine to evaluate the capacity of the core sample to receive injected fluids. The micro-CT images were systematically segmented into pore spaces and grains via machine learning (ML) steps including image preprocessing, label creation using a traditional ML method based on limited manual image annotation, and finally U-Net segmentation. The segmented image stacks were reconstructed into digital cubes of various scales of voxel lengths. The 3D porosity values were calculated for all the digital cubes, and the fractal dimensions of the cubes were estimated using a box-counting method. The results showed that smaller cubes had greater heterogeneity and that the porosity values could be accurately estimated by fractal dimension and voxel lengths using ML models. For the core sample with brine flooding, the ratio of pores filled by brine to the total pore space was related to the porosity and could also be accurately estimated by porosity, fractal dimension, and voxel lengths using ML models. In conclusion, the results of this study demonstrate that the concept of fractal dimension can be a useful vector to perform upscaling analysis of sandstone rock heterogeneity from the pore to core scale and that fractal dimensions can be used to estimate porosity values and pore space-filling capacity across those scales.

58 GEOSCIENCES↗
DOE OSTI2022

Energy and exergy analysis of multi-stage vacuum membrane distillation integrated with mechanical vapor compression

Membrane distillation (MD) is a promising candidate for desalinating hypersaline brine, but its poor energy efficiency has remained a major barrier for widespread application. One possible solution to this issue is to recover the latent heat in the process. In this work, a multi-stage vacuum MD (MSVMD) was integrated with a mechanical vapor compressor (MVC) to enhance the latent heat recovery, and the energetic and exergetic performance of this integrated process was examined. A comprehensive energy and exergy analysis is provided to compare MSVMD and MSVMD-MVC processes for desalination of hypersaline brine. This analysis was conducted by examining the effect of the compression ratio on the energetic and exergetic performance, and the findings are reported in terms of specific thermal energy consumption (STEC), specific electricity consumption (SEC), and exergetic efficiency. The energy analysis shows that thermal energy consumption can be reduced as the compression ratio increases, due to the enhancement of latent heat recovery. The MSVMD-MVC process can be operated in a steady-state condition, without the need for thermal heat input; with STEC and SEC of 0 and 49 kWh/m 3 at the feed temperature of 50 °C and MVC compression ratio of 2.14. Moreover, exergy analysis demonstrates the efficacy of the eNRTL model in exergy calculation. Exergy destruction can be greatly reduced by increasing the compression ratio to an optimal value. For high salinity brine (124 g/L), MSVMD-MVC achieved a higher exergetic efficiency of 6.85%, compared to 2.42% in MSVMD. Furthermore, the result suggests that the application of MVC can intensify the energy efficiency and exergetic efficiency of the MSVMD system, although this process cannot outperform the current desalination technologies from the standard primary energy point of view.

42 ENGINEERING↗
DOE OSTI2025

A Novel Zwitterionic Chromatography Approach to Separate Lithium from Unconventional Resources

Lithium (Li) is a key element for clean energy technologies, and, accordingly, the global lithium demand has been increasing rapidly. Therefore, to meet the Li demand and maintain supply chain stability, it is critical to develop efficient lithium extraction technologies that allow exploitation of unconventional lithium resources, such as geothermal brines and inland brine streams. However, the recovery of Li from these resources is challenging due to low Li concentration, low ratios of Li/Na, Li/Mg, or Li/Ca, and complex feed compositions. To address this, we introduced a new Direct Lithium Extraction (DLE) process using Zwitterionic Chromatography (ZIC) to separate Li from other salts. Since salts are partitioned on ZIC under water elution, no reagent chemicals are needed, and the Li separation is not limited by the adsorption capacity. We prepared 13 different zwitterionic (ZI) resins to investigate the salt retention on various ZI groups and then screened out promising sorbents for efficient Li separation. It was found that salt retention was synergistically affected by the pore size and ZI configurations. Using carboxybetaine (QAC3CA) sorbents, multicomponent separations showed that Li can be partitioned from divalent salts or Na with selectivities of 1.8 or 1.9, respectively. Although the selectivity is relatively low, in real brine tests, Li was separated from Ca and Mg with 79.2 % yield, showing the potential for a continuous process to achieve high productivity and high yield. Simulation studies suggest the salt elution mechanism is related to the hydration reaction energy and the effective hydrated radius of cations.

critical minerals↗
DOE OSTI2025

Inorganic Alterations in Unconventional Shale Reservoirs: Importance of Additive and Base Fluid Chemistry

The effective development of unconventional petroleum systems requires the use of significant water resources. In an effort to reduce the consumption of freshwater resources for hydraulic fracturing, highly saline produced waters are increasingly recycled for use as a base fluid. However, there are significant knowledge gaps regarding potential water–rock interactions resulting from the introduction of produced waters and associated additives into shale reservoirs such as formation and deposition of mineral scale, which can negatively affect hydrocarbon production through wellbore restriction and damage to hydraulically generated fractures. To assess the impacts of field stimulation practices in the subsurface, a series of laboratory experiments were completed using (a) three distinct sedimentary rock formations of the Midland Basin (Texas, USA) and (b) additives with two different base fluids: municipal fresh water and clean brine. The experimental approach used relevant injection sequences and mixing ratios in specialized reactors for 3 weeks. Static pressurized experiments and nonpressurized time-resolved experiments were undertaken. The resulting solids and liquids were analyzed by using a variety of laboratory- and synchrotron-based techniques. The use of an acid spearhead (15% HCl) resulted in texturing of both clay-rich and calcareous shales, which can temporarily enhance porosity but subsequently result in mineral scale deposition. The primary matrix scale was Fe(III)-bearing phases, which occurred in all experiments regardless of base fluid chemistry. Additionally, strontium sulfate (SrSO 4 ) precipitated on shale surfaces when clean brines were used. It was concluded that clean brine was the main source of Sr 2+ species, while persulfate breaker degradation and oxidation of pyrite were the sources of SO 4 2– . Sulfate scaling was more pronounced in clay-rich shales, suggesting that Sr sorption is important for promoting celestite formation. This work demonstrates that mineral scale deposition is a complex phenomenon, whereby the type and proportions of various mineral phases are determined from reservoir alteration processes and coprecipitation of constituents from injection fluids. In conclusion, the experimental results shown here should be considered when evaluating different base fluids and additives in order to mitigate mineral precipitation in unconventional shale reservoirs, which could result in reservoir degradation.

Jew, Adam D. [SLAC National Accelerator Laboratory↗
DOE OSTI2023

Bipolar Membrane Capacitive Deionization for pH-Assisted Ionic Separations

Selective ionic separations represent an increasingly important technical area for the strategic interests of the U.S. economy–for example, securing critical minerals and materials and circular economy aspirations that include recovering organic acids from processed biomass. This work disseminates bipolar membrane (BPM) capacitive deionization for selective ionic separations from multicomponent, ionic species mixtures. The selective separations are guided by the Pourbaix diagram and acid–base equilibria principles. BPM capacitive deionization was demonstrated to generate alkaline or acidic process streams depending upon the location of the BPM in the electrochemical cell. The role of system operating parameters, such as the cell voltage, residence time, and feed concentration on effluent stream pH was studied. It was observed that the pH adjustment in BPM-CDI/MCDI (MCDI, membrane capacitive deionization) was more sensitive to the cell voltage when compared to the process stream residence time and salt feed concentration. The BPM-MCDI gave over 6 times higher percentage of copper(II) removal when compared to sodium ion removal from brine mixtures. Lastly, BPM-MCDI demonstrated over 40% greater removal for copper ions from brine mixtures and fivefold higher removal for itaconic acid from brine mixtures when benchmarked against a traditional flow-by-MCDI setup.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Collapse of Reacted Fracture Surface Decreases Permeability and Frictional Strength

Abstract Geochemical and geomechanical perturbations of the subsurface caused by the injection of fluids present risks of leakage and seismicity. This study investigated how acidic fluid flow affects hydraulic and frictional properties of fractures using experiments with 3.8‐cm‐long specimens of Eagle Ford shale, a laminated shale with carbonate‐rich strata. In low‐pressure flow cells, one set of samples was exposed to acidic brine and another set was exposed to neutral brine. X‐ray computed tomography and energy‐dispersive X‐ray spectroscopy revealed that samples exposed to acidic brine were calcite‐depleted and had developed a porous altered layer, while the other set showed no evidence of alteration. After reaction, samples were compressed and sheared in a triaxial cell that supplied normal stress and differential pore pressure at prescribed sliding velocities, independently measuring friction and permeability. During the initial compression, the porous altered layer collapsed into fine particles that filled the fracture. This effectively impeded flow and sealed the fracture, resulting in fracture permeability to decrease 1 to 2 orders of magnitude relative to the unaltered fractures. This is a favorable outcome in subsurface applications where the goal is to reduce leakage risks. However, during shear the reacted fracture had lower frictional strength because the fine‐grained particles in the collapsed layer prevented the formation of interlocking microasperities. Therefore, coupled geochemical and geomechanical processes that could favorably seal fractures could also increase the likelihood of induced seismicity. These findings have important implications for geological carbon sequestration, pressurized fluid energy storage, geothermal energy, and other subsurface technologies.

58 GEOSCIENCES↗
DOE OSTI2024

Caprock Remains Water Wet Under Geologic CO 2 Storage Conditions

Abstract Carbon storage technology is primarily targeted in saline formations, which is a porous rock matrix filled with brine, sealed with a low permeability caprock. There are significant variations of CO 2 wetting properties, typically reported in the literature as contact angle of CO 2 and brine interacting with a rock material, suggesting that CO 2 could become wetting under geostorage conditions and negatively impact containment effectiveness. Here, we performed the first controlled laboratory measurements of CO 2 ‐brine contact angles on shale rocks from low permeability sealing formations with distinctive mineralogic properties—calcite‐rich, quartz‐rich, and dolomite‐rich. We targeted temperatures at 40° and 100°C, pressures at 8.3, 34.5, and 62.1 MPa, and salinity at 35,000 and 260,000 ppm. Results show no significant change in contact angle with mineralogy, temperature, pressure, salinity, and CO 2 bubble size. We conclude that caprocks will remain water‐wet at geologic CO 2 storage conditions and will not lose their capillary sealing capacity.

Tapriyal, Deepak↗
DOE OSTI2023

Treatment of brackish water for fossil power plant cooling

In this study, we evaluated the technical, economic and environmental impacts of retrofitting brackish groundwater treatment systems at existing coal- and gas-fired electric generating units (EGUs) to reduce freshwater consumption in wet cooling towers. Based on fleet averages, retrofitting brackish water treatment systems decreases unit freshwater consumption by 94–100%, while increasing the cost of electricity generation by 8–10%. The unit capacity shortfalls are less than 1.1%. The resulting cost of freshwater consumption savings by brackish water treatment is US$1.7 m -3 and US$2.9 m -3 on average for coal- and gas-fired EGUs, respectively. However, these trade-offs are highly affected by the brine disposal method. The use of thermal zero liquid discharge for brine disposal can roughly double the average cost of freshwater consumption savings. The cost-effectiveness of brackish water treatment compared with dry cooling deployment depends on how concentrated brines are managed. In conclusion, the identified trade-offs and their dependence fill knowledge gaps to better inform water management.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Identifying geologic characteristics and operational decisions to meet global carbon sequestration goals

Geologic carbon sequestration is the process of injecting and storing CO 2 in subsurface reservoirs and is an essential technology for global environmental security (e.g., climate change mitigation) and economic security (e.g., CO 2 tax credits). To meet energy, economic, and environmental goals, society will have to identify vast volumes of high-capacity, low-cost, and viable storage reservoirs for sequestering CO 2 . In turn, this requires understanding how major geologic characteristics (such as reservoir depth, thickness, permeability, porosity, and temperature) and design and operational decisions (such as injection well spacing) impact CO 2 injection rates, storage capacity, and economics. Although many numerical simulation tools exist, they cannot repeat the required thousands or millions of simulations to identify ideal reservoir properties and the sensitivity and interaction between geologic parameters and operational decisions. Here, we use SCO 2 T—a fast-running, reduced-order modeling framework—to explore the sensitivity of major geologic parameters and operational decisions to engineering (CO 2 injection rates, plume dimensions, and storage capacities and effectiveness) and costs. Our results show, for the first time, benefits and impacts such as allowing CO 2 plumes to overlap, how different well spacing patterns affect CO 2 sequestration, the effects on costs of including brine treatment and disposal, and the effect of restricting injection rates to 1 MtCO 2 per y based on well limitations. We reveal multiple novel and unintuitive findings including: (i) deeper reservoirs have reduced carbon sequestration costs until injection rates reach 1 MtCO 2 per y, at which point deeper reservoirs become more expensive, (ii) thicker formations allow for increased injection rates and storage capacity, but thickness barely impacts plume areas, (iii) higher geothermal gradients result in reduced sequestration costs, unless brine treatment/disposal costs are included, at which point reservoirs having lower geothermal gradients are more economical because they produce less brine for each unit of injected CO 2 , and (iv) allowing plumes to overlap has a significantly positive impact of increasing storage capacities but has only a small influence on reducing sequestration costs. Altogether, our results illustrate new scientific conclusions to help identify suitable sites to inject and store CO 2 , to help understand the complex interaction between geology and resulting costs, and to help support the pursuit of meeting global sequestration targets.

58 GEOSCIENCES↗
DOE OSTI2024

Life-cycle analysis of lithium chemical production in the United States

To achieve its ambitious national decarbonization goals, the United States has incentivized the domestic production of materials critical to decarbonization technologies, including lithium-ion batteries (LIBs). These materials include battery-grade lithium chemicals (Li-chemicals), for which the U.S. is encouraging domestic production from resources (sedimentary clays and low Li-content brines (LLCBs)) that differ substantially from conventional sources (Salar brines and spodumene ores). Here, we conduct the first-ever comparative life-cycle analysis of Li-chemical production from all alternative resources (in the U.S.) and conventional sources based on data from company literature for U.S.-related production efforts. Two energy sources (electricity and natural gas), four material inputs (HCl, NaOH, Na 2 CO 3 , and CaO), and process carbon emissions dominate the life-cycle impacts (≥90% share) of U.S.-based Li-chemical production. Comparatively, the life-cycle impacts of alternative sources-based Li-chemicals lie between those for Li-chemical production from Salar brines and from spodumene ores. At the battery level, the shift in Li-chemical sourcing causes a notable change in LIB's life-cycle impacts (by ~5–15%), independent of the cathode chemistry employed. Our study highlights the relevance of a decarbonized electric grid and the capture and sequestration of process carbon emissions generated during Li-chemical and upstream material production in decarbonizing Li-chemical production from alternative sources. Further decarbonization would necessitate using decarbonized material inputs and a shift away from natural gas towards renewable energy for alternative resource-based Li-chemical production processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Modelling and simulation of brinicle formation

Below the Arctic sea ice, under the right conditions, a flux of icy brine flows down into the sea. The icy brine has a much lower fusion point and is denser than normal seawater. As a result, it sinks while freezing everything around it, forming an ice channel called a brinicle (also known as ice stalactite). In this paper, we develop a mathematical model for this phenomenon, assuming cylindrical symmetry. The fluid is considered to be viscous and quasi-stationary. The heat and salt transport are weakly coupled to the fluid motion and are modelled with the corresponding conservation equations, accounting for diffusive and convective effects. Finite-element discretization is employed to solve the coupled system of partial differential equations. We find that the model can capture the general behaviour of the physical system and generate brinicle-like structures while also recovering dendrite composition, which is a physically expected feature aligned with previous experimental results. This represents, to our knowledge, the first complete model proposed that captures the global structure of the physical phenomenon even though it has some discrepancies, such as brine accumulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

SALSA_python (SALSython) v1

SALSA_python (Semi-Analytical Leakage Solutions for Aquifers) is a software that computed semi-analytical solutions for hydraulic head and brine leakage in multilayered aquifer–aquitard systems with geologic pressure forcing. It can simulate brine leakage into aquifers in a multi-aquifer-aquitard system with multiple injection and leaky wells. This situation is encountered in underground CO2 storage wherein brine leakage from pressurized reservoirs into aquifers is of concern. SALSA_python calls the original SALSA[1] subroutines in python by using the salsa2.so library. This enables the incorporation and coupling of SALSA computations into existing python-based codes and tools. SALSA_python is available for Linux and Mac operating systems. [1] Cihan, A., Oldenburg, C. M., & Birkholzer, J. T. (2022). Leakage from coexisting geologic forcing and injection-induced pressurization: A semi-analytical solution for multilayered aquifers with multiple wells. Water Resources Research, 58, e2022WR032343.

Bhuvankar, Pramod↗
DOE OSTI2020

LLNL Kimberlina 1.2 NUFT Simulations June 2018 (v2)

This dataset contains the output 6,000, 3-dimensional reactive multi-phase flow and transport aquifer simulations of brine and CO2 leakage into a protective aquiver in California’s San Joaquin Valley and input data files detailing the geologic mesh, aquifer physical properties and CO2 and brine injection rates. This data set was generated as an ongoing effort with the US DOE National Risk Assessment Partnership (NRAP) to evaluate the effectiveness of monitoring techniques to detect brine and CO2 leakage from legacy wells into underground sources of drinking water overlaying a CO2 storage reservoir. Each simulation contains a unique set of input parameters, generated stochastically. The outputs consist of these upper three geologic layers (from top): the Etchegoin, Macoma-Chanac, Santa Margarita-McLure formations. These simulations span the several distances (1, 3 and 6 km or wells W31-0.2, W31-0.5 and W31-1.0, respectively) from the CO2 injector, initiated from bottom hole pressure and saturation to calculate wellbore leakage from the storage reservoir, with low and high regional groundwater gradients and wellbore leakage into 5 leaky nodes. The dataset includes 1,000 unique simulations for each distance, which each contain a unique aquifer heterogeneity, aquifer and caprock permeability, and two model generations are included with a high permeability (prod07) and hybrid permeability (prod09). The range of permeability distributions is listed in Table 1. Each model generation consists of 3,000 simulations. Included in the dataset are the leakage rates determined from 2D wellbore models which utilize the pressure and CO2 saturation from LBL's reservoir simulations, NUFT mesh files with distributed lithology, NUFT rocktab files which describe the material properties for the geologic layers and the NUFT input files and post-processed output 'ntab' files. Each ntab file contains spatial (rows) and temporal (columns) model output tables for each model cell, the locations (x,y,z) and dimensions for each cells (dx, dy, dz). Table 1. Permeability distribution ranges for prod07 and prod09 model generations Geologic Layer: Permeability Range (log10 m^2) prod07 prod09 Etchegoin -12.92 to -10.92 -13.70 to -11.44 Macoma-Chanac -12.72 to -10.72 -13.50 to -11.24 Santa Margarita-McLure -12.70 to -10.70 -13.48 to -11.22 The input files used to generate the model include which are included in the dataset are: Time series of CO2 leakage input into the model (ex: Q_brn.W31-0.2.sim1000.layers123.tab) Time series of CO2 leakage input into the model (ex: Q_CO2.W31-0.2.sim1000.layers123.tab) Physical properties of the aquifer materials detailing the aquifer porosity, solid density, partitioning coefficients, permeabilities and van-Genuchten parameters detailed in a NUFT rocktab file: (ex: sim1000.usnt.rocktab) Numerical mesh and geologic data assigned to each model cell detailed in a NUFT genmsh format (ex: sim1000.mesh_k16.prod07.trans.genmsh) The primary output parameters are: pH (use absolute value) Change in TDS (mg/kg) Change in Pressure (Pa) Change CO2 gas saturation (fraction range 0.0-1.0) for example, the directory /p/lscratchh/mansoor1/nrap/kimberlina/prod09/mainfiles/sim1000/W31- 0.2 contains: sim1000.W31-0.2.trans.pH.red.ntab sim1000.W31-0.2.no_bg.trans.TDS.red.ntab sim1000.W31-0.2.usnt.P.deltabg.red.ntab sim1000.W31-0.2.usnt.CO2_sat.deltabg.red.ntab Each row in the NTAB files consist of model output per numerical grid cell. Each output file contains 33 columns (variables), including the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the ith grid of y-axis 4. k: the ith grid of z-axis 5. element_ref: element reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The remainder (14, 15, 16...) variables are the simulated parameter values over time, take Pressure as an example, are: 14. 0.0y: initial pressure per cell. 15. 10.0y: simulated pressure at the end of the 10th year. 16. 20.0y: simulated pressure at the end of the 20th year. ... (repeated for every 10 years until 200 years)... The model extends 10,000 m, 5,000 m and 1,411 m in the x,y and z dimensions, respectively. The mesh consists of 164,832 cells with mesh dimensions of 101 x 51 x 32 (nx, ny, nz), with cell dimensions ranging from 100 m laterally (along x and y-axis) and model layers are as designated in the z-axis: Layer 1: atmosphere (1e-30 m thick) Layer 2: upper caprock (10 m thick) Layers 3-13: Etchegoin (536.23 m thck) Layers 14-27: Macoma-Chanac (679.04 m thick) Layers 28-32: Santa Margarita-McLure (185.94 m thick) The wellbore is placed along node i=51, j=26, and extends vertically along 5 nodes from the top to the bottom of the model. Special instructions when extracting files: Each Gzip archive (ex: prod07.sim1000-sim00099.tar.gz) contains 100 simulations. Gzip archives should be transferred into base directories (ie. In Linux: mkdir prod07; mv prod07.*.tar.gz prod07/.) before extracting, or files will be overwritten. Each sub-simulation tree should have the following file structure pattern (using the linux 'tree' command): |-- prod07 | |-- sim0001 | |-- W31-0.2 | | |-- Q_brn.W31-0.2.sim0001.layers123.tab | | |-- Q_co2.W31-0.2.sim0001.layers123.tab | | |-- sim0001.W31-0.2.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.2.trans.pH.red.ntab | | |-- sim0001.W31-0.2.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.2.usnt.P.deltabg.red.ntab | |-- W31-0.5 | | |-- Q_brn.W31-0.5.sim0001.layers123.tab | | |-- Q_co2.W31-0.5.sim0001.layers123.tab | | |-- sim0001.W31-0.5.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.5.trans.pH.red.ntab | | |-- sim0001.W31-0.5.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.5.usnt.P.deltabg.red.ntab | |-- W31-1.0 | | |-- Q_brn.W31-1.0.sim0001.layers123.tab | | |-- Q_co2.W31-1.0.sim0001.layers123.tab | | |-- sim0001.W31-1.0.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-1.0.trans.pH.red.ntab | | |-- sim0001.W31-1.0.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-1.0.usnt.P.deltabg.red.ntab | |-- sim0001.mesh_k16.prod07.trans.genmsh Disclaimer This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This report was reviewed and released as LLNL-MI-753464.

aquifer↗
DOE OSTI2020

Computational and Experimental Characterization of Intermediate Amorphous Phases in Geological Materials

In the subsurface, MgO engineered barriers are employed at the Waste Isolation Pilot Plant (WIPP), a transuranic waste repository near Carlsbad, NM. During service, the MgO will be exposed to high concentration brine environments and may form stable intermediate phases that can alter the barriers effectiveness. Here, MgO was aged in water and three different brine solutions. X-ray diffraction (XRD) and 1 H nuclear magnetic resonance (NMR) analysis were performed to identify the formation of secondary phases. After aging, ~4% of the MgO was hydrated and fine-grained powders resulted in greater loss of crystallinity than hard granular grains. 1 H magic angle spinning (MAS) NMR spectra resolved minor phases not visible in XRD, indicating that diverse 1 H environments are present along with Mg(OH) 2 . Density functional theory (DFT) simulations for several proposed Mg-O-H, Mg-CI-O-H, and Na-O-H containing phases were performed to index peaks in the experimental 1 H MAS NMR spectra. While proposed intermediate crystal structures exhibited overlapping 1 H NMR peaks, Mg-O-H intermediates were attributed to the growth of the 1.0-0.0ppm peak while the Mg-CI-O-H structures contributed to the 2.5- 5.0ppm peak in the chloride containing brines. Overall, NMR analysis of aged MgO indicates the formation of a range of possible intermediate structures that cannot be resolved with XRD analysis alone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

NRAP-Open-IAM: Open Wellbore Component (V.2.0)

The Open Wellbore component of NRAP-Open-IAM is applicable to the calculation of Area of Review at a carbon storage site and fast estimation of dense gas dispersion from multiple continuous CO 2 surface leakage sources for risk assessment. The Open Wellbore Component of NRAP-Open-IAM is a lookup table model based on the drift-flux approach. The National Research Assessment Partnership’s second-generation integrated assessment model, NRAP-Open-IAM, is open-source software written in Python for use in performance and quantitative risk assessment of geologic carbon storage (GCS) systems. The look-up table for open well leakage is an updated version the previous model which provides finer resolution of reservoir depth and more accurate fluid properties than the previous open well look-up table, especially in calculating the gas (CO 2 -rich) phase properties. The component model input parameters include the reservoir transmissivity, aquifer transmissivity, brine salinity, well radius, and well top and bottom depths. The reservoir transmissivity and brine salinity were set to values consistent with the reservoir component, and the well top and bottom depths varied with location. The possible outputs from the Open Wellbore component are leakage rates of CO 2 and brine to either an aquifer or atmosphere, depending on the depth of the well top. Several python test scripts are presented that demonstrate that the Open Wellbore component works correctly. Use of the open wellbore model in NRAP-Open-IAM may result in a large CO 2 leakage rates, comparable to the leakage rates of CO 2 blow out.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Flue-Gas Desulfurization Effluent Management using an Innovative Low-Energy Biosorpotion Treatment System to Remove Key Contaminants

Among the most critical water contaminants of concern affecting wide geographical regions and a number of industries and natural systems is selenium. Selenium found in surface, ground and wastewater in originates from natural sources, as well as industrial sources such as petroleum refineries, electronics manufacturing, pesticides, and coal power plants and mining also contribute to selenium contamination in water in the US. At high concentrations, selenium is toxic to human and wildlife. There are a number of technologies that have been used to treat selenium and other similar contaminants in water. Biological treatment of selenium has been used in the past to reduce soluble SeVI and/or SeIV to insoluble Se0, which is then filtered in the same vessel. The insoluble selenium (Se0) is then backwashed from the system and solids are separated for subsequent disposal, if they meet the leaching and water content criteria. In order to promote biological reduction to insoluble Se0, heating of bioreactor is needed in some applications, and excess food source (electron donor) is added so that all selenium can be filtered. An additional disadvantage of these systems is the significant amount of water lost due to extensive and frequent backwash and rinse cycles. When comparing the advantages and energy requirements of the various treatment technologies, RO membrane filtration immediately stands out due to the excessive energy expenditure needed to pump water across the membrane although RO is an effective way to remove selenium. In addition, RO requires extensive pretreatment, such as MF membrane, and frequent maintenance, rendering it an expensive option that may be out of reach for certain applications. In fact, although the performance was good during the pilot testing by the NSMP Working Group for treatment naturally occurring selenium in the surface water, the high electricity requirements and significant reject water stream made it an infeasible alternative. While conventional ion exchange maybe an effective treatment option, it requires frequent regeneration of the resin when applied to highly contaminated water, which leads to several tons of contaminant-laden, high-salinity brine that needs to be disposed off-site each day. One of the water systems in the west coast currently uses ion exchange for selenium treatment and has been trucking selenium laden hazardous brine waste weekly in the last several years. Pneumatic pumping and rinse water pumping required for ion exchange also increase the energy usage. In comparison, adsorption process is a passive treatment system where contaminated water comes in contact with an adsorption media in a vessel. Typically, there is no mixing, backwash, or recycle pumping required, thus significantly reducing the energy usage. A passive single-use adsorption system does not require backwash, thereby generating small amount of process waste, and producing the highest water yield among the alternatives. The energy and water efficiencies, and applicability for SeVI and SeIV are summarized in Table 1. Despite these benefits though, adsorption typically does not work for the most oxidized form of selenium (SeVI). The innovative biosorption process integrates both process to increase the treatment efficiency while minimizing energy, chemical, and time required to treat both SeVI and SeIV. Additional advantages include simple partial biological reduction with reduced on-site waste generation, which lead to water and electricity savings, and less operational need compared to biological treatment alone. This makes biosorption especially suitable for remote areas, where liquid backwash and brine disposal may be cost prohibitive or infeasible.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Recovery of Rare Earths, Precious Metals and other Critical Materials from Geothermal Waters with Advanced Sorbent Structures - CRADA 355 (Abstract)

The ability to recover valuable trace level minerals from geothermal brines using high-performance solid-phase sorbents will be explored and developed. A compressive range of sorbent materials will be screened for application to metal extraction from geothermal brines. Preferred sorbents from extraction of trace levels of rare earths (REs), precious metals (PMs), and other critical/strategically valuable materials (CMs) such as Zn, Mn, Te, Sc, Se and U from geothermal brines will be identified. For the preferred sorbents PNNL will determine the volumes they are capable of providing efficient extraction from. The thermal and chemical limits (including, acid, sulfur, salt) for performance of the preferred sorbent materials will be determined; with a target of at least 125°C and perhaps as high as 400° C. Sorbent form factors (including, packed bed, membrane, mats) that can function efficiently and be installed cost effectively in geothermal energy plants will be assessed for chemical and economic viability. Material regeneration and cyclic utilization will be demonstrated, targeting hundreds to thousands of cycles. Options for recovery and purification (including, selective separation of heavy REs) of collected materials will be explored. A techno-economic analysis (TEA) will be performed to assess the best approach to provide a value-added extraction process for geothermal energy systems. The sorbent materials and engineering analysis will be applicable to other industrial processes in which secondary recovery of valuable materials could provide economic benefit.

15 GEOTHERMAL ENERGY↗