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At least 1,333 records · Page 74

Multicriteria cost–benefit assessment of tannery production: The need for breakthrough process alternatives beyond conventional technology optimization

The worldwide use of chromium-based processes in tanneries generates increased concerns about their related environmental burdens. Cleaner production alternatives for leather production are being proposed, based on the optimization of specific aspects or criteria, for instance, reducing demand for specific materials and energy, or reducing local toxicological emissions. While improvement on individual characteristics of the process is certainly to be favored, a more comprehensive evaluation of alternatives is also needed to prevent the risk of shifting the burden to increase global load while addressing one specific critical factor of production. This work aims to discuss the importance of a multicriteria, multiscale approach to address cleaner production strategy costs and benefits. For this, materials balance, an economic approach, and emergy (with an “m”) accounting methods are applied to selected unhairing/liming, pickling/tanning and wastewater treatment steps in a tannery process, which was chosen as a case study. Results show that the assessed recycling cleaner production strategies assessed allow the manufacturer to reduce by one half the amount of water used and the demand for chemicals up to 4% with respect to the business-as-usual process, at the expense of increasing electricity demand by 10%. Economic cost-to-benefit ratio was 25$ benefits per 1$ invested, as well as an emergy-based cost-to-benefit of 33Em$ per 1Em$ invested, of course these improvements were limited to the three investigated process steps. The improvement in cost/benefit ratios indicates that converting scenario #0 into #1 is favorable under economic and emergy views. However, when the two scenarios are investigated from the point of view of the imbalance in local and renewable resource use versus imported and nonrenewable use, the emergy method shows a small overall increase in renewability (from 3.51% to 3.85%), a low, but expected, emergy yield ratio equal to 1, and a high environmental loading ratio (24.95 and 27.47). While the environmental cost–benefit ratio shows that recycling is a favorable option, the emergy performance indicators highlight that the efficiency of recycling is still insufficient and improvements in the tanning processes are needed to ensure renewability and sustainability. A number of process chemicals were involved in the investigated tannery operations, which required emergy evaluations. As a side result of this study, the Unit Emergy Values (UEVs) of SO{sub 2}, H{sub 2}SO{sub 4} Na{sub 2}SO{sub 4}, HCL, Na{sub 2}S, NaOH, CaO, Ca(OH){sub 2}, Cr{sub 2}O{sub 3}, MnSO{sub 4}, and Al(OH){sub 3}, were also calculated thus adding to the emergy database about chemicals. - Highlights: • Cleaner production strategies for tannery processes are presented and evaluated. • Local and global scales are considered under economical and biophysical approaches. • A multicriteria approach should be considered for decision making. • Recycling strategies have better indicators than traditional processes. • Emergy integrates energy and monetary indicators for more comprehensive assessment.

54 ENVIRONMENTAL SCIENCES↗

Mitigation for one & all: An integrated framework for mitigation of development impacts on biodiversity and ecosystem services

Emerging development policies and lending standards call for consideration of ecosystem services when mitigating impacts from development, yet little guidance exists to inform this process. Here we propose a comprehensive framework for advancing both biodiversity and ecosystem service mitigation. We have clarified a means for choosing representative ecosystem service targets alongside biodiversity targets, identified servicesheds as a useful spatial unit for assessing ecosystem service avoidance, impact, and offset options, and discuss methods for consistent calculation of biodiversity and ecosystem service mitigation ratios. We emphasize the need to move away from area- and habitat-based assessment methods for both biodiversity and ecosystem services towards functional assessments at landscape or seascape scales. Such comprehensive assessments more accurately reflect cumulative impacts and variation in environmental quality, social needs and value preferences. The integrated framework builds on the experience of biodiversity mitigation while addressing the unique opportunities and challenges presented by ecosystem service mitigation. These advances contribute to growing potential for economic development planning and execution that will minimize impacts on nature and maximize human wellbeing. - Highlights: • This is the first framework for biodiversity and ecosystem service mitigation. • Functional, landscape scale assessments are ideal for avoidance and offsets. • Servicesheds define the appropriate spatial extent for ecosystem service mitigation. • Mitigation ratios should be calculated consistently and based on standard factors. • Our framework meets the needs of integrated mitigation assessment requirements.

54 ENVIRONMENTAL SCIENCES↗

Looking under the hood: A comparison of techno-economic assumptions across national and global integrated assessment models

Integrated assessment models are extensively used in the analysis of climate change mitigation and are informing national decision makers as well as contribute to international assessments such as those of the Intergovernmental Panel on Climate Change. This paper conducts a comprehensive review of techno-economic assumptions in the electricity sector among sixteen different global and national integrated assessment models. Particular focus is given to six major economies in the world: Brazil, China, the EU, India, Japan and the US. The comparison reveals that techno-economic characteristics are quite different across integrated assessment models, both for the base year and future years. It is, however, important to recognize that techno-economic assessments from the literature exhibit an equally large range of parameters as the integrated assessment models reviewed. Beyond numerical differences, the representation of technologies also differs among models which needs to be taken into account when comparing numerical parameters. While desirable from a first principles perspective and often called for, it seems difficult to fully harmonize techno-economic parameters across a broader range of models due to structural differences in the representation of technology. Therefore, in the future making techno-economic parameters available together with of the technology representation as well as the exact definitions of the parameters should become the standard approach as it allows an open discussion of appropriate assumptions.

Krey, Volker↗

Valuation of Surface Coatings in High-Energy Density Lithium-ion Battery Cathode Materials

Artificial barriers, usually with either electrochemically active or inactive coating materials, are deployed on cathode material surfaces to mitigate detrimental side reactions by suppressing direct contact of cathode and electrolyte called surface coatings. These surface coatings are commonly known to increase the wettability of liquid electrolyte and reduce the interfacial charge transfer resistance. An important caveat is the selection of appropriate coating material with appropriate thickness for achieving enhanced electrochemical performance. As modern battery materials are increasingly developed with some type of surface coating, a careful and thorough examination of their role in mitigating the cycle life issues of cathode materials is paramount. Here, this comprehensive review article extensively covers the selection criteria of coating materials based on their chemical and physical properties and electrochemical functionalities. Additionally, the article discusses the concept of critical coating thickness and methods of achieving homogeneous coating architectures that deliver desired performance benefits. Furthermore, this comprehensive article summarizes the recent advancements, effectiveness, necessity of cathode surface coatings and identifies the key aspect of structure-property correlation between coating type/thickness and lithium-ion diffusion through coating layers as the linchpin that validates surface coating approaches especially for high capacity nickel-rich cathodes.

25 ENERGY STORAGE↗

Extended cycle life implications of fast charging for lithium-ion battery cathode

Enabling extreme fast charging (XFC, =10–15 min charging) requires a comprehensive understanding of its implications. While lithium plating is a key bottleneck for the anode, the full extent of limitations for the cathode are not well-understood, particularly in extended-cycle settings with well-defined battery designs and conditions. This article presents cycle-life implications of XFC on cathodes at multiple length scales, combining electrochemical analyses, degradation modeling, and post-test characterizations. The comprehensive test matrix includes 41 well-defined gr/NMC pouch cells under varied fast-charge rates (1–9C) and state-of-charges cycled up to 1000 times. Cathode issues remain minimal in early cycling, but begin to accelerate in later life, when distinct cracking is found and identified as a fatigue mechanism. The bulk structure of cathodes remains intact, but distinct particle surface reconstruction is observed; however, this shows less pronounced effect on cathode aging than does cracking.

25 ENERGY STORAGE↗

A synthesis of environmental and recreational mitigation requirements at hydropower projects in the United States

Environmental mitigation plays an important role in the environmentally sustainable development of hydropower resources. However, comprehensive data on mitigation required by the Federal Energy Regulatory Commission (FERC) at United States (US) hydropower projects is lacking. Therefore, our objective was to create a comprehensive database of mitigation required at non-federal hydropower projects and provide a synthesis of available mitigation data. Mitigation data was collated for over 300 plants licensed or relicensed from 1998 through 2013. We observed that the majority of FERC mitigation requirements deal with either hydrologic flows or recreation and that hydropower plants in the Pacific Northwest had the highest number of requirements. Our data indicate opportunities exist to further explore hydropower mitigation in the areas of environmental flows, fish passage, and water quality. Lastly, connecting these data with ecological outcomes, actual flow data, and larger landscape level information will be necessary to evaluate the effectiveness of mitigation and ultimately inform regulators, managers, and planners.

13 HYDRO ENERGY↗

Sensitivity and reliability of key electrochemical markers for detecting lithium plating during extreme fast charging

Lithium plating is one of the key challenges for enabling extreme fast charging (XFC, ≤10 to 15 min charging at ≥6C) in graphite-based lithium-ion batteries. Significant R&D effort has been focused on how to mitigate Li plating. Parallel effort is also being devoted to developing methods to detect Li plating when and if it happens during fast charging. In that regard, electrochemical (EC) signature-based detection techniques are less resource intensive, more convenient, and more practical from an end-user application perspective. However, a comprehensive understanding of key plating related EC signatures for extreme fast charging is presently unavailable. In particular, there exist distinct issues of unreliability with key plating-related EC signatures—e.g., incremental capacity (dQ.dV -1 ), differential OCV (dOCV.dt -1 ), end of lithiation (EOL) rest voltage—at XFC conditions, and the underlying reasons have not been explored and identified methodically. Using a comprehensive test matrix and XFC conditions with Li/graphite half cells, this article highlights the unreliability issues associated with the EC Li plating diagnostics and explains the underlying root cause. This study finds distinct sensitivity and unreliability issues with plating related dQ.dV -1 , dOCV.dt -1 , and EOL rest voltage signatures with charging rates. Furthermore, the complex interaction between graphite and plated Li that happens through multiple competing mechanisms —Li stripping and chemical intercalation— at different charging rates is at the core of the sensitivity and unreliability issue.

25 ENERGY STORAGE↗

Nanoengineering of 2D MBenes for energy storage applications: A review

2D transition metal borides (MBenes), a flourishing member of the 2D nanomaterial family, show great potential in a number of study areas. MBenes have received increasing attention thanks to their excellent electrical conductivity, structural and mechanical properties, and chemical stability, which have captivated researchers and sparked further exploration. Extensive theoretical and experimental investigations have unveiled its remarkable potential as electrode materials for electrochemical storage applications, making MBenes a subject of great interest. Despite the growing interest and numerous studies conducted, there is a lack of a comprehensive and systematic appraisal of MBenes' applications in electrochemical energy storage systems. Here, in light of this, firstly, we provide an overview of the current progress in the fabrication and characterization of MAB phases and MBenes. For the synthesis of MBenes, the following fabrication techniques were discussed; liquid-phase exfoliation, solid-state mechanical exfoliation, chemical vapor deposition, high-pressure chemical vapor deposition, microwave-assisted chemical etching, and ultrasound-assisted chemical etching methods. Then, we delve into the captivating potential of MBenes, specifically in the realm of energy storage applications and their role in enhancing electrochemical storage capabilities. The discussion encompasses their application in lithium-ion, lithium-sulfur, and lithium-selenide batteries, supercapacitors and other energy storage systems, providing a comprehensive perspective on their contributions to the energy landscape. Finally, a brief but significant summary of the challenges and opportunities of MBenes in practical applications was summarized. The present review provides a guide and scientific motivation for creating and developing advanced MBene-based nanomaterials, addressing the growing demand for cutting-edge energy storage systems.

25 ENERGY STORAGE↗

Daily operational impacts on battery degradation in heavy-duty electric drayage trucks

Battery aging is a critical factor influencing the performance, longevity, and cost of ownership of battery electric trucks (BETs). This paper presents a comprehensive evaluation of battery aging for two Li-ion battery chemistries, Nickel-Manganese-Cobalt (NMC) and Lithium-Iron-Phosphate (LFP), accounting for both cycling and calendar aging. In contrast to traditional methods that rely on simplified linear degradation models based on manufacturer-provided data, this study employs semi-empirical aging models calibrated to experimentally collected data. The models are integrated into a detailed vehicle simulation environment, enabling a comprehensive assessment of battery degradation under realistic operating conditions. A case study focusing on heavy-duty electric drayage truck operations in the Port of Savannah, GA, is presented to illustrate the impact on battery pack lifespan of: seasonal variations, daily operational activities, charging strategies, and battery storage conditions. The results illuminate the significance of the battery pack’s state of charge during stationary periods, such as overnight storage or weekend parking, on battery degradation and its potential implications for long-term vehicle viability. Additionally, the study explores how different operational and environmental factors affect battery degradation, offering critical insights into best battery charging and storage practices. Our results demonstrate that LFP outperforms NMC in terms of years of useful life; however, by utilizing charging strategies that minimize the amount of time the battery spends resting at high levels of state-of-charge, the lifespan of the battery pack that uses NMC can nonetheless be increased by more than a factor of two.

25 ENERGY STORAGE↗

Molecular thermodynamic modeling of aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2- quinary system

As part of the effort to develop a comprehensive molecular thermodynamic model for high salinity produced water based on the electrolyte nonrandom two-liquid theory, this work presents the model results for the aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2- quinary system. With the binary interaction parameters fully parameterized for the water-electrolyte pairs and the electrolyte-electrolyte pairs, the model satisfactorily describes the thermodynamic properties for the aqueous quinary system and its binary, ternary, and quaternary subsystems for the temperature range 273.15–473.15 K and the salt concentrations up to saturation. The model results are compared with the salt solubility and thermodynamic data available for the subsystems with special attention to systems involving (Ca 2+ SO 4 2- ).

Chemistry↗

The Effect of Air Separations on Fast Pyrolysis Products for Forest Residue Feedstocks

This study investigates the intricate relationship between biomass preprocessing and pyrolysis product yields, employing the air classification technique for the treatment of loblolly pine residues with varying moisture content. A comprehensive exploration of the physicochemical properties of air-classified loblolly pine informs a sophisticated pyrolysis simulation model. Given the complex and multifaceted nature of biomass pyrolysis, operating across diverse temporal and spatial scales, a pyrolysis kinetics-based CFD–DEM simulation method is employed to predict product yields. Results showed that the elevated moisture content amplifies particle adhesiveness, necessitating augmented air velocities for effective separation, thereby influencing the efficiency of the separation process. While carbon and hydrogen contents exhibit relative stability across diverse moisture contents and blower frequencies, the oxygen content undergoes noticeable changes. For example, the oxygen contents were measured as 29.2 and 38.6 wt% in the light fraction of 30% moisture content sample at blower frequencies of 10 and 20 Hz, respectively. An intriguing finding emerges from pyrolysis simulation, indicating that a lower blower frequency in air classification moderately enhances bio-oil yield and significantly improves its quality, particularly in terms of water content. For instance, the water content in the bio-oil was about 1.5% and 10% in the heavy and light fractions, respectively from 10% moisture sample under 15 Hz blower frequency. In summary, a detailed understanding and strategic manipulation of critical material attributes in biomass through efficient fractionation techniques are imperative for advancing fast pyrolysis as a sustainable avenue for renewable energy and chemical production.

09 BIOMASS FUELS↗

Mechanical properties and microstructure characterization of Eurofer97 steel variants in EUROfusion program

Under the framework of EUROfusion, we performed comprehensive mechanical and microstructure characterization of ten Eurofer97 steel variants with varying compositions and heat treatment conditions. Moreover, we characterized the pre-irradiation fracture toughness of the materials along with their Vickers hardness, tensile properties, and microstructure. Compared with standard Eurofer97, the ten variants didn’t show a comprehensive improvement of mechanical properties. In addition, the composition and microstructures in some variants are adverse to fracture toughness, such as low C contents, coarse grain sizes, partially tempered martensite, lack of precipitates, and non-uniform distributions of coarse precipitates. Additional studies will be performed on the same materials after neutron irradiation.

36 MATERIALS SCIENCE↗

Bridging paradigms: Designing for HPC-Quantum convergence

Here, this paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for scientific computing, their effective integration with classical HPC systems presents significant technical challenges. We propose a hardware-agnostic software framework that supports both current noisy intermediate-scale quantum devices and future fault-tolerant quantum computers, while maintaining compatibility with existing HPC workflows. The architecture includes a quantum gateway interface, standardized APIs for resource management, and robust scheduling mechanisms to handle both simultaneous and interleaved quantum–classical workloads. Key innovations include: (1) a unified resource management system that efficiently coordinates quantum and classical resources, (2) a flexible quantum programming interface that abstracts hardware-specific details, (3) A Quantum Platform Manager API that simplifies the integration of various quantum hardware systems, and (4) a comprehensive tool chain for quantum circuit optimization and execution. We demonstrate our architecture through implementation of quantum–classical algorithms, including the variational quantum linear solver, showcasing the framework’s ability to handle complex hybrid workflows while maximizing resource utilization. This work provides a foundational blueprint for integrating QC capabilities into existing HPC infrastructures, addressing critical challenges in resource management, job scheduling, and efficient data movement between classical and quantum resources.

97 MATHEMATICS AND COMPUTING↗

Molybdenum speciation and burial pathway in weakly sulfidic environments: Insights from XAFS

Sedimentary molybdenum (Mo) accumulation is a robust proxy for sulfidic conditions in both modern and ancient aquatic systems and has been used to infer changing marine redox chemistry throughout Earth’s history. Accurate interpretation of any proxy requires a comprehensive understanding of its biogeochemical cycling, but knowledge gaps remain concerning the geochemical mechanism(s) leading to Mo burial in anoxic sediments. Better characterization of Mo speciation should provide mechanistic insight into sedimentary Mo accumulation, and therefore in this study we investigate Mo speciation from both modern (Castle Lake, USA) and ancient (Doushantuo Formation, China) environments using X-ray Absorption Near Edge Structure (XANES) spectroscopy. By utilizing a series of laboratory-synthesized oxythiomolybdate complexes—many containing organic ligands—we expand the number of available standards to encompass a greater range of known Mo chemistry and test the linkage between Mo and total organic carbon (TOC). In weakly euxinic systems ([H2S(aq)] < 11 µM), or where sulfide is restricted to pore waters, natural samples are best represented by a linear combination of MoO3, MoOxS4-x2- (intermediate thiomolybdates), and [MoOx(cat)4-x]2- (cat = catechol, x = 2 or 3). These results suggest a revised model for how Mo accumulates in weakly sulfidic sediments, including a previously unrecognized role for organic matter in early sequestration of Mo and a de-emphasized importance for MoS42- (tetrathiomolybdate).

58 GEOSCIENCES↗

Quantitative characterization of soil micro-aggregates: New opportunities from sub-micron resolution synchrotron X-ray microtomography

Soil microaggregates are the fundamental building block, at the micron scale, of the highly hierarchical structure of soils, and can exert a significant control on the local biological metabolism and microbial community partitioning. In this study we propose an analysis protocol for the morphometric characterization of complete soil microaggregates based on sub-micron resolution synchrotron X-ray microtomography. A comprehensive characterization of the aggregate morphology is the first step towards a complete characterization of the soil microaggregates, when trying to correlate morphometric parameters with physical and/or biological properties, or when building models (e.g., effective diffusivity, microbial distribution, etc.). In this study, we demonstrate our characterization approach on two single microaggregate samples from dramatically different soil environments: one from Kansas, primarily composed by inorganic particles, and one from Barrow (Alaska) dominated by plant fragments. A series of state-of-the-art morphometric analysis techniques have been employed providing quantitative results highlighting specific differences of the two samples. The role of the microstructure in a scenario microbial population development has been discussed and it has been found that the Barrow microaggregate seems to be more favorable, from a purely geometrical point of view, as also confirmed by a simple model presented in this work. Finally, the potential of this approach, when coupled with chemical and biological analysis for a fully comprehensive characterization of soil aggregates in the larger picture of enhanced biological activity, is evident.

54 ENVIRONMENTAL SCIENCES↗

Modeling heat transport processes in enhanced geothermal systems: Validation study from EGS Collab Experiment 1

Heat recovery from enhanced geothermal systems (EGS) is a complex process involving heat transport in both fracture networks and rock formations. A comprehensive understanding of and the ability to model the underlying heat transport mechanisms is important for the success of EGS but remains challenging in practice due to the generally insufficient characterization of EGS reservoirs. In the present study, we analyze an extensively monitored intermediate-scale EGS field experiment performed in a well-characterized testbed. The high-resolution, high-quality measurements from the field experiment enable the development of a high-fidelity model incorporating a well-constrained fracture network. Based on the field experiment, we investigate the complex heat transport processes in an EGS-relevant environment and validate the capability of a numerical approach in simulating these inherently coupled heat transport processes. A series of numerical simulations were performed to study the effects of different heat transport mechanisms, including thermal convection with fracture flow, thermal conduction in rock formations, and the Joule-Thomson effect. The agreement of thermal responses between field measurements and simulation results indicates that our numerical approach can appropriately model the heat transport processes pertaining to heat recovery from EGS reservoirs.

Wu, Hui↗

Theoretical model of dielectrophoretic water vapor condensation during multiphase flow of electrically charged water droplets in air

Water droplet growth in air, influenced by vapor diffusion and electrical charging, has significant implications for indoor air quality, cloud formation, and aerosol dynamics. Here, this study presents a comprehensive theoretical model that describes the growth dynamics of electrically charged water droplets under external electric fields, incorporating diffusion, electrostatic, and dielectrophoretic forces to enhance understanding and practical applications in air dehumidification and environmental control. A theoretical model was established to analyze the growth dynamics of the charged water droplets. The approach extended the thermodynamic framework of the Modified Kelvin-Thomson equation by integrating electrostatic and dielectrophoretic effects, enabling a comprehensive evaluation of vapor concentration near the surface of charged droplets. A sensitivity analysis was performed to assess the roles of droplet size, electric field intensity, surface charge, and vapor concentration on condensation rates. The study progressed beyond the classical diffusion-limited growth of neutral droplets, addressing the behavior of charged droplets in electrohydrodynamic environments. The model highlighted the significance of dielectrophoretic drift flux for dipolar vapor molecules, especially in micron-sized droplets ranging from 10 to 100 µm. Findings demonstrated that, for smaller droplets subjected to elevated electrical charge, average growth rates varied from 0.3 to 1.6 µm/s if the air relative humidity increased from 50 to 100 %. Analytical results are corroborated by numerical simulations, which exhibited strong concordance, thereby validating the proposed theoretical approach. This research introduced an innovative and scalable analytical methodology for electric field-enhanced droplet growth, offering valuable insights into the advancement of energy-efficient air dehumidification, water desalination, and atmospheric water harvesting technologies.

42 ENGINEERING↗

Hydrogen wide area monitoring of LH2 releases

The characterization of liquid hydrogen (LH2) releases has been identified as an international research priority to expand the safe use of hydrogen as an energy carrier. The elucidation of LH2 release behavior will require the development of dispersion and other models, guided and validated by empirical field measurements such as those afforded by Hydrogen Wide Area Monitoring (HyWAM). HyWAM can be defined as the quantitative spatial and temporal three-dimensional monitoring of planned or unintentional hydrogen releases. With support provided through the FCH JU Prenormative Research for the Safe Use of Liquid Hydrogen (PRESLHY) program, HSE performed a series of LH2 releases to characterize the dispersion and pooling behavior of cold hydrogen releases. The NREL Sensor Laboratory developed a HyWAM system based upon a distributed array of point sensors that is amenable for profiling cold hydrogen plumes. The NREL Sensor Laboratory and HSE formally committed to collaborate on profiling the LH2 releases. This collaboration included the integration of the NREL HyWAM into the HSE LH2 release hardware. This was achieved through a deployment plan jointly developed by the NREL and HSE personnel. Under this plan, the NREL Sensor Laboratory provided multiple HyWAM modules that accommodated 32 sampling points for near-field hydrogen profiling during the HSE PRESLHY LH2 releases. The NREL HyWAM would be utilized throughout the LH2 release study performed under PRESLHY by HSE, including Work Package 3 (WP3—Release and Mixing--Rainout) and subsequent work packages (WP4—Ignition and WP5—Combustion). Under the auspices of the PRESLHY WP6 (Implementation), data and findings from the HSE LH2 Releases are to be made available to stakeholders in the hydrogen community. Comprehensive data analysis and dissemination is ongoing, but the integration of the NREL HyWAM into the HSE LH2 Release Apparatus and its performance as well as some key outcomes of the LH2 releases in WP3 are presented.

08 HYDROGEN↗