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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

A de novo sacrificial-MOF strategy to construct enhanced-flux nanofiltration membranes for efficient dye removal

Nanofiltration membanes play a critical role in alleviating global water scarcity, affecting more than 4 billion people. Here, a new metal organic framework (MOF) sacrificicial strategy is designed to synthesize flux-enhancing nanofiltration membrane for efficient dye removal. With the aid of polyphenol chemistry, ZIF-67 MOF was first coated onto a porous support and in situ transformed into a selective layer by virtue of pyrrole polymerization. Trigerred by ammonium persulfate, polypyrrole selective layer functioalized nanofiltration membrane was fabricated when accompanying pore regulation by MOF self-sacrifice. The membrane demonstrated a flux enhancement of 745% than pristine polypyrrole (PPy) one with maintained rejection. Furthermore, the synergistic interactions among polypyrrole, polyphenol, and porous support endowed membrane with excellent stability during long term test. The designed MOF sacrificed route may open a new avenue for fabricating advanced energetic-efficient membranes with the reconstructed architecture towards diverse separation applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

All-day fresh water harvesting by microstructured hydrogel membranes

Abstract Solar steam water purification and fog collection are two independent processes that could enable abundant fresh water generation. We developed a hydrogel membrane that contains hierarchical three-dimensional microstructures with high surface area that combines both functions and serves as an all-day fresh water harvester. At night, the hydrogel membrane efficiently captures fog droplets and directionally transports them to a storage vessel. During the daytime, it acts as an interfacial solar steam generator and achieves a high evaporation rate of 3.64 kg m −2 h −1 under 1 sun enabled by improved thermal/vapor flow management. With a homemade rooftop water harvesting system, this hydrogel membrane can produce fresh water with a daily yield of ~34 L m −2 in an outdoor test, which demonstrates its potential for global water scarcity relief.

54 ENVIRONMENTAL SCIENCES↗

Ionization behavior of nanoporous polyamide membranes

Escalating global water scarcity necessitates high-performance desalination membranes, for which fundamental understanding of structure–property–performance relationships is required. In this study, we comprehensively assess the ionization behavior of nanoporous polyamide selective layers in state-of-the-art nanofiltration (NF) membranes. In these films, residual carboxylic acids and amines influence permeability and selectivity by imparting hydrophilicity and ionizable moieties that can exclude coions. We utilize layered interfacial polymerization to prepare physically and chemically similar selective layers of controlled thickness. Additionally, we then demonstrate location-dependent ionization of carboxyl groups in NF polyamide films. Specifically, only surface carboxyl groups ionize under neutral pH, whereas interior carboxyl ionization requires pH >9. Conversely, amine ionization behaves invariably across the film. First-principles simulations reveal that the low permittivity of nanoconfined water drives the anomalous carboxyl ionization behavior. Furthermore, we report that interior carboxyl ionization could improve the water–salt permselectivity of NF membranes over fourfold, suggesting that interior charge density could be an important tool to enhance the selectivity of polyamide membranes. Our findings highlight the influence of nanoconfinement on membrane transport properties and provide enhanced fundamental understanding of ionization that could enable novel membrane design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crop diversification improves water-use efficiency and regional water sustainability

As global water scarcity intensifies, identifying agricultural practices that enhance sustainable water management is critical. Temporal crop diversification-rotating multiple species over time-has been proposed to improve soil health and water retention based on field-scale experiments. However, widespread adoption remains limited on farms, in part due to unverified benefits at larger scales. Here, we assess the influence of crop diversification on agricultural water-use efficiency (WUE, ratio of gross primary productivity to evapotranspiration) along a spectrum of monoculture to complex species rotations in California. Leveraging new high-resolution remote sensing datasets, we show that crop diversification is a key driver of agricultural WUE, and increasing the number of species planted in the previous 6 years from two to four increases WUE by ∼20% after accounting for differences between crops. Our results provide spatially explicit, large-scale quantification of crop diversification’s improvements to WUE, with direct implications for climate adaptation. More broadly, our framework offers a tool to evaluate other sustainable practices and guide policy and farm-scale decision-making.

climate-resilient agriculture↗

A Self-Evolution Data Fusion Platform for Large-Scale Water Models

Focal Area: Data acquisition and assimilation enabled by machine learning (ML), artificial intelligence (AI), and advanced methods including experimental/network design/optimization, unsupervised learning (deep learning), leveraging advanced hardware (e.g., edge computing). This development is to enable solving the science questions regarding the human and climatic factors that interact with and drive global water scarcity.

54 ENVIRONMENTAL SCIENCES↗

Abbr. Final report: Self-assembled molecular containers as artificial water channels: towards biomimetic desalination membranes

Global water scarcity demands advances in desalination technologies that can deliver more fresh water with less energy. Current reverse osmosis membranes are fundamentally limited by a trade-off between how much water they can pass and how well they block salts. To address this challenge, we developed a bottom-up strategy to design and test artificial water channels that mimic the efficiency of biological proteins but are built from robust synthetic molecules. Over two years, we synthesized and evaluated more than twenty molecular channel candidates, including supramolecular macrocycles and nanographene pores with atomically precise structures. We showed that small chemical modifications allow direct control over pore size and chemistry, which in turn govern water permeability and salt rejection. In collaboration with university partners, we reported the first experimental demonstration of water transport through a nanographene pore, bridging a long-standing gap between simulation and experiment. Several of the artificial channels we developed achieved water–salt selectivity beyond conventional polymer membranes, highlighting their potential for next-generation desalination and precision separations.

36 MATERIALS SCIENCE↗

Drivers of Future Physical Water Scarcity and Its Economic Impacts in Latin America and the Caribbean

Future water scarcity is a global concern with significant impacts on the energy, water, and land (EWL) sectors. Countries in Latin America and the Caribbean (LAC) are significant producers of agricultural goods consumed around the world, so disruptions resulting from land and water scarcity in LAC are a source of global supply chain risk. Understanding where water scarcity in LAC could occur and what could drive that scarcity to emerge is critical for strategic resource management and planning, both regionally and globally. Assessing future water scarcity impacts in LAC is challenging given the multisector dynamic interactions among the EWL sectors and the multiple uncertainties acting across different spatial scales. We use scenario discovery to explore the drivers of future water scarcity, considering assumptions related to climate, socioeconomics, and the EWL sectors. Understanding what factors drive uncertainty across outcomes can help stakeholders in targeting long-term solutions and future data collection efforts. To illuminate these dynamics, we use a database consisting of a large ensemble of scenarios representing diverse worlds simulated using the Global Change Analysis Model. We quantify future water scarcity and its economic impacts across the scenarios using three metrics: (1) physical water scarcity, (2) water price, and (3) crop profit. We find that physical water scarcity and water price are driven primarily by reservoir storage capacity assumptions, highlighting the importance of strategic water infrastructure development in maintaining future water availability and accessibility. Crop profit is driven by a combination of water supply and demand assumptions, which emphasizes the complex nature of EWL multisector dynamics. While most of LAC is poised to have abundant land and water resources available for development, water basins in Mexico and along the Pacific coast of South America experience high levels of severity and uncertainty across the future scenarios for at least one of the metrics. We find that the drivers of extreme scarcity vary spatially and across the metrics, further highlighting the heterogeneity of the region and the importance of considering multiple metrics to assess water scarcity vulnerability.

54 ENVIRONMENTAL SCIENCES↗

GCAM v4.3 SSP-RCP-GCM Output Products

Supplemental dataset to: Graham N.T., M.I. Hejazi, M. Chen, E. Davies, J.A. Edmonds, S.H. Kim, and S. Turner, et al. 2020. "Humans drive future water scarcity changes across all Shared Socioeconomic Pathways." Environmental Research Letters 15, no. 1:Article No. 014007. PNNL-SA-151297. doi:10.1088/1748-9326/ab639b This analysis makes deterministic classifications of how, when water resources are limited and constrained, the human and climate systems interact. The relative effects of both systems on water scarcity are quantified at global and basin scales across 15 global futures that include five different socioeconomic conditions (the Shared Socioeconomic Pathways, SSPs) and four different climatic conditions (the Representative Concentration Pathways, RCPs). These 15 scenarios are used to first analyze a 'Human Alone' component by isolating the human impact on future scarcity. This is accomplished by holding all climate variables to their 2005 levels while altering socioeconomic growth and technological change. General circulation model (GCM) derived climate impacts for five models are applied to establish 75 'Human and Climate' scenarios which allows for the quantification of climate impacts. Climatic impacts to water supply, agricultural productivity and change, hydropower availability, and building energy demands are applied from 5 different bias-corrected GCMs to make a suite of 75 climate runs. By subtracting the human derived impacts from the 'Human Alone' scenarios, from the 'Human and Climate' scenarios the climate impact is isolated. First, the drivers of future water scarcity are evaluated by isolating the impacts that both humans and climate have while accounting for feedbacks between humans, energy, and land. Secondly, the simultaneous impacts that human and climate systems have on water scarcity are analyzed by determining whether each system is increasing or decreasing scarcity in all global water basins. Below we describe the GCAM model, the scenario components, climate derived impacts, and the calculations of scarcity changes and attribution. This study uses the global change assessment model (GCAM), with inclusions of water constraints to both renewable and nonrenewable sources of water, to investigate the relative contributions of climate and human systems on water scarcity regionally and globally under a wide range of scenarios. GCAM links socioeconomics, the energy system, land-use change, climate, and the water sector. GCAM is a market-equilibrium model that allows for prices to be adjusted within each time step to ensure that the supply and demand of goods and services remains equilibrated at each time step allowing for simultaneous market clearing across sectors. This study accounts for a limited supply of water by employing cost resource curves across all 235 basins that follow a logit formulation to determine the share of each water source (renewable surface water, nonrenewable groundwater, and desalinated water) needed to meet the water demands within all basins. As depletion of various water sources increases the extraction price increases, which leads to compounding price increases on the goods and services that require higher-priced water sources.

99 GENERAL AND MISCELLANEOUS↗

Biosystems Design to Accelerate C 3 -to-CAM Progression

Global demand for food and bioenergy production has increased rapidly, while the area of arable land has been declining for decades due to damage caused by erosion, pollution, sea level rise, urban development, soil salinization, and water scarcity driven by global climate change. In order to overcome this conflict, there is an urgent need to adapt conventional agriculture to water-limited and hotter conditions with plant crop systems that display higher water-use efficiency (WUE). Crassulacean acid metabolism (CAM) species have substantially higher WUE than species performing C 3 or C 4 photosynthesis. CAM plants are derived from C 3 photosynthesis ancestors. However, it is extremely unlikely that the C 3 or C 4 crop plants would evolve rapidly into CAM photosynthesis without human intervention. Currently, there is growing interest in improving WUE through transferring CAM into C 3 crops. However, engineering a major metabolic plant pathway, like CAM, is challenging and requires a comprehensive deep understanding of the enzymatic reactions and regulatory networks in both C 3 and CAM photosynthesis, as well as overcoming physiometabolic limitations such as diurnal stomatal regulation. Recent advances in CAM evolutionary genomics research, genome editing, and synthetic biology have increased the likelihood of successful acceleration of C 3 -to-CAM progression. Here, we first summarize the systems biology-level understanding of the molecular processes in the CAM pathway. Then, we review the principles of CAM engineering in an evolutionary context. Lastly, we discuss the technical approaches to accelerate the C 3 -to-CAM transition in plants using synthetic biology toolboxes.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluating the economic impact of water scarcity in a changing world

Abstract Water scarcity is dynamic and complex, emerging from the combined influences of climate change, basin-level water resources, and managed systems’ adaptive capacities. Beyond geophysical stressors and responses, it is critical to also consider how multi-sector, multi-scale economic teleconnections mitigate or exacerbate water shortages. Here, we contribute a global-to-basin-scale exploratory analysis of potential water scarcity impacts by linking a global human-Earth system model, a global hydrologic model, and a metric for the loss of economic surplus due to resource shortages. We find that, dependent on scenario assumptions, major hydrologic basins can experience strongly positive or strongly negative economic impacts due to global trade dynamics and market adaptations to regional scarcity. In many cases, market adaptation profoundly magnifies economic uncertainty relative to hydrologic uncertainty. Our analysis finds that impactful scenarios are often combinations of standard scenarios, showcasing that planners cannot presume drivers of uncertainty in complex adaptive systems.

54 ENVIRONMENTAL SCIENCES↗

Extreme Water Uptake of Hygroscopic Hydrogels through Maximized Swelling‐Induced Salt Loading

Abstract Hygroscopic hydrogels are emerging as scalable and low‐cost sorbents for atmospheric water harvesting, dehumidification, passive cooling, and thermal energy storage. However, devices using these materials still exhibit insufficient performance, partly due to the limited water vapor uptake of the hydrogels. Here, the swelling dynamics of hydrogels in aqueous lithiumchloride solutions, the implications on hydrogel salt loading, and the resulting vapor uptake of the synthesized hydrogel–salt composites are characterized. By tuning the salt concentration of the swelling solutions and the cross‐linking properties of the gels, hygroscopic hydrogels with extremely high salt loadings are synthesized, which enable unprecedented water uptakes of 1.79 and 3.86 gg −1 at relative humidity (RH) of 30% and 70%, respectively. At 30% RH, this exceeds previously reported water uptakes of metal–organic frameworks by over 100% and of hydrogels by 15%, bringing the uptake within 93% of the fundamental limit of hygroscopic salts while avoiding leakage problems common in salt solutions. By modeling the salt‐vapor equilibria, the maximum leakage‐free RH is elucidated as a function of hydrogel uptake and swelling ratio. These insights guide the design of hydrogels with exceptional hygroscopicity that enable sorption‐based devices to tackle water scarcity and the global energy crisis.

Graeber, Gustav↗

Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights

Technologies based on water adsorption such as water harvesting from air have tremendous potential in mitigating important global crises such as water scarcity. An important challenge to the deployment of such technologies is finding optimal adsorbent materials. Given the large materials space of available adsorbents, large-scale computational screening can be extremely helpful for this task. This work explores the methods and details associated with such screening procedures and recommends best practices. We also shed light on the limitations of traditionally used and inexpensive to compute prescreening approaches involving geometric and energetic features to predict water adsorption behavior of porous materials. Such approaches can provide general trends to predict adsorption behavior but may lead to the overlook of potentially important structures due to the complex nature of water adsorption. Finally, this study offers insights for future water adsorption simulations to facilitate the development of optimal water adsorbents.

42 ENGINEERING↗

Maximizing Uptake of Hygroscopic Hydrogels Through Extreme Swelling-Induced Salt Loading

Hygroscopic hydrogels have emerged as scalable and low-cost materials with the potential of high-performance vapor sorption for atmospheric water harvesting, dehumidification, and passive cooling. Despite extensive research interest aimed at improving hygroscopic hydrogels, devices using these materials still exhibit insufficient performance, partly due to limited water uptake of the hydrogels. In this work, we study the swelling dynamics of hydrogels in aqueous lithium chloride solutions and use this to achieve extreme salt loading of hygroscopic hydrogels. By rationally tuning the salt concentration used for swelling we achieve successful synthesis of hygroscopic hydrogels with high water uptake of 1.76 g/g, 2.53 g/g, 3.80 g/g at relative humidites of 30%, 50%, and 70%, respectively, exceeding previous hydrogels by over 19%. These water uptakes bring the performance of hydrogels within ≈91% of the fundamental limit of commonly used hygroscopic salts, while still avoiding leakage problems common in salt solutions. Furthermore, we elucidate via models the maximum uptake achievable without leakage as a function of the operating relative humidity and hydrogel swelling ratio. The insights from this work can be used to design hygroscopic hydrogels with exceptional performance for a wide variety of sorption applications to tackle global challenges such as water scarcity and energy efficiency.

25 ENERGY STORAGE↗

SIMPLE-G: A multiscale framework for integration of economic and biophysical determinants of sustainability

We introduce SIMPLE-G, a Simplified International Model of agricultural Prices, Land use, and the Environment- Gridded version, which is a novel tool for evaluating sustainability policies in a global context while factoring in local heterogeneity in land and water resources and natural ecosystem services. This multi-scale model can provide boundary conditions for local decision makers, as well as capturing feedback from local policies to national and global scales. Additionally, to illustrate its value in environmental analysis, we provide two applications of the model. First, we quantify the local stresses on land and water resources due to global changes in population, income, and productivity. Second, we quantify the global impacts of local policy responses and adaptations to water scarcity.

42 ENGINEERING↗

Increasing freshwater supply to sustainably address global water security at scale

While significant parts of the globe are already facing significant freshwater scarcity, the need for more freshwater is projected to increase in order to sustain the increasing global population and economic growth, and adapt to climate change. Current approaches for addressing this challenge, which has the potential to result in catastrophic outcomes for consumptive needs and economic growth, rely on increasing the efficient use of existing resources. However, the availability of freshwater resources is rapidly declining due to over-exploitation and climate change and, therefore, is unlikely to sustainably address future needs, which requires a rethink of our solutions and associated investments. Here we present a bold departure from existing approaches by establishing the viability of significantly increasing freshwater through the capture of humid air over oceans. We show that the atmosphere above the oceans proximal to the land can yield substantial freshwater, sufficient to support large population centers across the globe, using appropriately engineered structures. Due to the practically limitless supply of water vapor from the oceans, this approach is sustainable under climate change and can transform our ability to address present and future water security concerns. This approach is envisioned to be transformative in establishing a mechanism for sustainably providing freshwater security to the present and future generations that is economically viable.

54 ENVIRONMENTAL SCIENCES↗

Global assessment of the carbon–water tradeoff of dry cooling for thermal power generation

Water scarcity and climate change are dual challenges that could potentially threaten energy security. Yet, integrated water–carbon management frameworks coupling diverse water- and carbon-mitigation technologies at high spatial heterogeneity are largely underdeveloped. Here we build a global unit-level framework to investigate the CO 2 emission and energy penalty due to the deployment of dry cooling—a critical water mitigation strategy—together with alternative water sourcing and carbon capture and storage under climate scenarios. We find that CO 2 emission and energy penalty for dry cooling units are location and climate specific (for example, 1–15% of power output), often demonstrating notably faster efficiency losses than rising temperature, especially under the high climate change scenario. Despite energy and CO 2 penalties associated with alternative water treatment and carbon capture and storage utilization, increasing wastewater and brine water accessibility provide potential alternatives to dry cooling for water scarcity alleviation, whereas CO 2 storage can help to mitigate dry cooling-associated CO 2 emission tradeoffs when alternative water supply is insufficient. By demonstrating an integrative planning framework, our study highlights the importance of integrated power sector planning under interconnected dual water–carbon challenges.

42 ENGINEERING↗

State-of-the-Art Organic- and Inorganic-Based Hollow Fiber Membranes in Liquid and Gas Applications: Looking Back and Beyond

The aggravation of environmental problems such as water scarcity and air pollution has called upon the need for a sustainable solution globally. Membrane technology, owing to its simplicity, sustainability, and cost-effectiveness, has emerged as one of the favorable technologies for water and air purification. Among all of the membrane configurations, hollow fiber membranes hold promise due to their outstanding packing density and ease of module assembly. Herein, this review systematically outlines the fundamentals of hollow fiber membranes, which comprise the structural analyses and phase inversion mechanism. Furthermore, illustrations of the latest advances in the fabrication of organic, inorganic, and composite hollow fiber membranes are presented. Key findings on the utilization of hollow fiber membranes in microfiltration (MF), nanofiltration (NF), reverse osmosis (RO), forward osmosis (FO), pervaporation, gas and vapor separation, membrane distillation, and membrane contactor are also reported. Moreover, the applications in nuclear waste treatment and biomedical fields such as hemodialysis and drug delivery are emphasized. Subsequently, the emerging R&D areas, precisely on green fabrication and modification techniques as well as sustainable materials for hollow fiber membranes, are highlighted. Last but not least, this review offers invigorating perspectives on the future directions for the design of next-generation hollow fiber membranes for various applications. As such, the comprehensive and critical insights gained in this review are anticipated to provide a new research doorway to stimulate the future development and optimization of hollow fiber membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

X-ray Scattering Studies of Reverse Osmosis Materials

Scarcity of freshwater is becoming a world crisis. In a recent annual risk report, the World Economic Forum lists it in their greatest global risk category. Currently, about four billion people live under conditions of severe water scarcity for at least one month out of the year [1]. Increasing water use efficiency is thus essential. However, this alone will not be able to provide adequate drinking water to meet the world’s needs. The process of preparing drinking water from seawater and brackish water involves many stages, the final and most expensive of which is typically reverse osmosis (RO). Reverse osmosis processes operate by forcing water across a semi-permeable membrane by applying a pressure greater than the osmotic pressure of the feed solution (seawater, Π ≈ 28 bar = 400 psi), thereby separating the water from any dissolved ions and impurities (rejection > 99%). The flux of water through the membrane is directly proportional to the amount of pressure applied above the osmotic pressure; however, the energy consumption is related to the total pressure. According to the American Membrane Technology Association, the amount of energy required to desalinate seawater with current technologies is 2.5 to 3.5 kWh/m 3 of water. RO materials have been tuned, modified, and optimized extensively since their initial discovery through an Edisonian approach. Despite immense technological progress [2, 3], many basic scientific questions remain on the molecular structure of RO membranes. Overall, in this report, we demonstrate that synchrotron X-ray scattering methods offer the possibility of improving our fundamental understanding of RO materials.

36 MATERIALS SCIENCE↗