225 Search Results

A potential technology for the CO₂ absorption process is utilizing intensified structured packing with embedded cooling/heating channels for continuous heat exchange, which can overcome limitations of discrete methods, such as discrete intercooling and centralized reboilers, to aid in reducing energy consumption and decreasing costs. This work investigates the modeling of intensified packing (IP) for the stripper tower, extending on previous work for the absorber, which distributes heat internally within the column, improving the thermodynamics for the solvent regeneration process. The model includes submodels for steam turbine extraction to produce steam at various qualities as well as a surrogate model formore » calculating steam enthalpy. A cost model for a plant-scale absorption capture process was developed, allowing for the design of the plant to be optimized, subject to minimizing capture cost using two different power plant flue gas sources. In this optimization, the placement of IP in both towers is optimized to balance the trade-off between enhanced heat transfer and reduced mass transfer volume. For natural gas combined cycle flue gas, the standard process configuration had a minimum cost of $$\$$$$65.40/tonne CO₂, and considering IP, the minimum capture cost is reduced to $$\$$$$62.73/tonne, with utilization in the stripper column, which reduces yearly costs by up to $$\$$$$2.67 MM/yr. Cooling the absorber through IP, or intercoolers, was only found to be beneficial at higher capture rates, with IP in both towers having a cost of capture of $$\$$$$68.08/tonne at 99.9% capture, a reduction of $$\$$$$12.64/tonne when using only intercoolers at the same capture rate. When capturing from pulverized-coal power plants, the minimum cost of capture when using IP in both towers is $$\$$$$44.18/tonne (at 97% capture), while the standard configuration with and without intercoolers was $$\$$$$45.69 and $$\$$$$47.22 per tonne, respectively. This results in a reduction in yearly costs of $$\$$$$16.98 MM/yr from the base-case configuration. At this higher CO₂ concentration, cooling in the absorber from the IP becomes extremely beneficial, reducing energy consumption by up to 6%.« less

Capturing CO₂ at trace concentration remains a critical challenge in sustainable carbon management via adsorption, as conventional adsorbents suffer from low CO₂ selectivity, poor moisture tolerance, and energy-intensive regeneration requirements. Here, we report a hierarchical Ba²⁺-exchanged silicoaluminophosphate (Ba²⁺-CSAPO-34) composite synthesized via confined-space crystallization within an activated carbon matrix. Comprehensive characterization revealed a confined nucleation mechanism and the successful incorporation of Ba²⁺ active sites within the SAPO-34 framework, achieved via a two-step liquid ion-exchange protocol. The core-shell architecture combines the selective CO₂ binding of Ba²⁺-functionalized SAPO-34 with the hydrophobic protection of the carbon shell. Fixed-bed adsorption tests demonstrated strong CO₂ bindingmore » (at 500-2500 ppm), no roll-up, and effective suppression of water affinity, while maintaining high selectivity even at 90% relative humidity. A phenomenological adsorption model, validated against dynamic breakthrough data, accurately predicted dynamic adsorption behavior under real-world operating conditions, enabling rational process design for direct air capture (DAC) and closed-loop life support systems. Furthermore, these results establish Ba²⁺-CSAPO-34 as a scalable, moisture-resistant adsorbent that addresses key limitations in trace CO₂ capture, advancing practical implementation of carbon removal technologies.« less

As cities develop and resource demands rise, the water sector faces crucial challenges to deliver reliable, sustainable, and efficient services. Digital Twins (DTs), virtual replicas of physical systems, offer a promising tool to transform how we manage water infrastructure. Originally developed in the aerospace industry, DTs are now gaining traction in the water sector, enabling real-time monitoring, simulation, and predictive control of water and wastewater treatment, collection and distribution networks, and water reclamation and reuse systems. While still emerging in the water sector, DTs have shown potential to enhance operational efficiency, reduce environmental impacts, and support smarter, more resilient watermore » management. This review study provides a comprehensive overview of current DT applications in the water sector, highlighting successful case studies, technical challenges, and knowledge gaps. It also explores how DTs can help bridge the water–energy nexus by optimizing resources utilized across interconnected systems. By synthesizing recent advances and identifying future research directions, this paper illustrates how DTs can play a central role in building sustainable, adaptive, and digitally-enabled water infrastructure.« less

In the United States, many impoundments at coal-fired power plants contain elevated contaminants like arsenic, boron, barium, and selenium. Zeolites synthesized from fly ash show promise as sorbents for these contaminants. However, optimizing sorption capacity is challenging due to numerous possible topologies, silicon to aluminum (Si/Al) ratios, and cation types. In this study, molecular simulations are used to design cationic zeolites for boric acid adsorption. Force field models based on quantum mechanical calculations (PBE + D2) for Na-, Ca-, Mn-, and Fe-exchanged chabazite and LTA are presented. The new D2FF force fields reproduce DFT energies with about half the errormore » of UFF. Zeolite performance depends on Si/Al ratio and cation type, with low Si/Al ratio chabazite (CHA) and phillipsite (PHI) zeolite frameworks exchanged with Ca²⁺ or Na⁺/Ca²⁺ mixtures showing the highest adsorption. In conclusion, these findings suggest tailored fly ash-derived zeolites could provide effective boron removal from leachate ponds.« less

Aqueous rechargeable sodium-ion batteries (ARNIBs) are emerging as cost-effective and safe candidates for large-scale energy storage applications. However, their advancement has been constrained by the narrow electrochemical stability window (ESW) of conventional aqueous electrolytes (1.23 V). Here, in this study, we present a transformative approach using an inexpensive and rapidly dissolvable inorganic glass material, water glass (W-glass), to significantly enhance the ESW and enable the development of solid-state, self-supporting aqueous film (SSA film) electrolytes. These SSA film electrolytes exhibit an extended ESW of up to 3.5 V and a conductivity of ∼10^–4 S/cm at room temperature. Structural analysis using magic-anglemore » spinning nuclear magnetic resonance (NMR) and solution-state NMR reveals that the dissolution of W-glass in water is driven by the interdependent hydrolysis of P–O–P linkages and Na⁺–H⁺ ion exchange. This work offers a cost-effective and scalable solution for advancing high-performance ARNIB technology, addressing critical barriers to commercial adoption.« less

As the U.S. ramps photovoltaic (PV) manufacturing to the terawatt scale and emphasizes re-shoring manufacturing, potential regional impacts on the U.S. water supply should be considered, particularly since many PV companies rely almost exclusively on public water supplies for manufacturing. This work surveys the academic literature and PV manufacturer reports to estimate the water intensity of monocrystalline silicon, multicrystalline silicon, and cadmium telluride modules manufactured at the terawatt scale, determining that on average, cadmium telluride manufacturing is less water intensive on a per megawatt scale – this is anticipated to be true for all thin film PV manufacturing. While muchmore » lower than the water intensity of thermoelectric (e.g., coal) energy generation, significant issues and gaps with PV manufacturing data quality in academic studies are identified which cause estimates to vary by over 1000x (0.04 – 49 trillion liters/terawatt). Data issues are discussed and the need for accurate accounting of water resources (e.g., via continuous, updated information during PV manufacturing) is highlighted. The opportunity to reconfigure decommissioned thermoelectric sites to PV manufacturing is also explored. Finally, factors that influence PV manufacturing water intensity, from individual manufacturing steps to trends across the PV industry, are examined and water conservation opportunities are presented.« less

We present a transferable force field for water in proton-exchanged, alkali (Li, Na, K, Rb, and Cs) metal-exchanged, and alkaline-earth (Mg, Ca, Sr, and Ba) metal-exchanged zeolites. The fitting methodology is based on adsorbate–adsorbent interaction energies obtained from periodic density functional theory calculations and corrected using the coupled-cluster method applied to small model clusters. To ensure an accurate prediction of both adsorption and diffusion properties of water, sets of configurations that sample both adsorption sites and intracrystalline hopping transition states were used in the fitting. The quality of the force field is assessed for a wide range of zeolites withmore » different topologies and chemical compositions, demonstrating good agreement between theoretical predictions and experimental measurements of water adsorption and diffusion.« less

Separation membranes are critical for a range of processes, including but not limited to water desalination, chemical and fuel production, and recycling and recovery applications. Fundamentally, there are intrinsic trade-offs between permeability and selectivity. Local water organization and content can impact membrane structure (short- and long-range) in laminar transition metal carbide (MXene) membranes and impact selective ion permeation. Intercalation of chaotropic cesium (Cs⁺) ions within the layers reduces the water content in the membrane and at the surface which cannot be found in the intercalation of other ions. Additionally, 3D imaging using focused ion beam scanning electron microscopy showed fewermore » defects in the Cs-MXene membrane, due to reduced local water content, leading to more efficient ion sieving. X-ray diffraction and density functional theory calculations on the nanochannel structure demonstrated that the chaotropic ion results in the smallest nanochannel size and induces a stronger resistance to water-induced nanochannel swelling. With a narrower nanochannel, the Cs-MXene membrane limits ion transport pathways, resulting in more selective transport of lithium over other metal cations, as evidenced in both experiment and molecular dynamics simulations. In conclusion, our findings highlight the potential for controlling the structural organization of 2D MXene membranes to enable on-demand transport of ions for diverse applications.« less

Graphene oxide (GO) membranes intercalated with various organic moieties have shown excellent potential for a range of water processing applications. However, microstructure–functional property relationships in these structurally disordered membranes are not well understood. We demonstrate a practical methodology for developing such relationships for GO membranes intercalated with molecular species, with polycyclic aromatic toluidine blue O (TBO) as an example functional intercalant. We use solid-state UV–vis absorbance and fluorescence measurements to quantitatively track the arrangements of TBO in a series of TBO-loaded reduced GO (rGO) membranes. This study reveals the evolution of diverse arrangements including TBO monomers, lateral and stacked dimers,more » and other aggregates, as a function of overall TBO loading. These microstructures are then correlated to changes in overall properties such as interlayer d-spacings, permeate fluxes, and solute rejections. The characterization of these different intercalant microstructures explains non-intuitive flux and rejection trends, which can circumvent flux and solute rejection trade-offs.« less

Sonicated emulsive water microdroplets (SEWMs) accelerate and enable a variety of catalyst-free chemical transformations. However, significant unanswered questions remain regarding the chemical intermediates they form and their possible redox origin. In this study, we identified dissolved O₂ as the primary originator of reactive oxygen species (ROS) such as OH• and H₂O_2. We uncovered the role of dissolved O₂ redox by using a combination of microelectrochemical methods to detect H₂O₂, isotopic methods to identify the source of H₂O₂, and a combination of electron spin resonance and the DMPO spin trap to detect radicals such as OH•. Notably, we found that H₂O₂more » production is correlated with O₂ content via a reduction pathway enabled by a sufficiently large reducing power that can additionally generate H₂ and even perform Pb electroless deposition on Au and Cu metal substrates. Building on our findings, continuous O₂ bubbling of SEWMs showed accumulation of H₂O₂ up to ∼88 mM in the aqueous phase within 1 h of sonication, demonstrating the scale-up promise of this method. Distinct to sonochemistry of a single phase, this study advances our understanding of the confluence of redox and chemical reaction mechanisms within SEWMs as a biphasic system. This insight paves the way for improving their reaction kinetics, yield, and selectivity, positioning these attractive redox microreactors as alternatives to traditional electrolyzers.« less