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At least 541 records · Page 30

Fusion-Enabled Pluto Orbiter and Lander

The Pluto orbiter mission proposed here is credible and exciting. The benefits to this and all outer-planet and interstellar-probe missions are difficult to overstate. The enabling technology, Direct Fusion Drive, is a unique fusion engine concept based on the Princeton Field-Reversed Configuration (PFRC) fusion reactor under development at the Princeton Plasma Physics Laboratory. The truly game-changing levels of thrust and power in a modestly sized package could integrate with our current launch infrastructure while radically expanding the science capability of these missions. During this Phase I effort, we made great strides in modeling the engine efficiency, thrust, and specific impulse and analyzing feasible trajectories. Based on 2D fluid modeling of the fusion reactors outer stratum, its scrape-off-layer (SOL), we estimate achieving 2.5 to 5 N of thrust for each megawatt of fusion power, reaching a specific impulse, Isp, of about 10,000 s. Supporting this model are particle-in-cell calculations of energy transfer from the fusion products to the SOL electrons. Subsequently, this energy is transferred to the ions as they expand through the magnetic nozzle and beyond. Our point solution for the Pluto mission now delivers 1000 kg of payload to Pluto orbit in 3.75 years using 7.5 N constant thrust. This could potentially be achieved with a single 1 MW engine. The departure spiral from Earth orbit and insertion spiral to Pluto orbit require only a small portion of the total delta-V. Departing from low Earth orbit reduces mission cost while increasing available mission mass. The payload includes a lander, which utilizes a standard green propellant engine for the landing sequence. The lander has about 4 square meters of solar panels mounted on a gimbal that allows it to track the orbiter, which beams 30 to 50 kW of power using a 1080 nm laser. Optical communication provides dramatically high data rates back to Earth. Our mass modeling investigations revealed that if current high-temperature superconductors are utilized at liquid nitrogen temperatures, they drive the mass of the engine, partly because of the shielding required to maintain their critical temperature. Second generation materials are thinner but the superconductor is a very thin layer deposited on a substrate with additional layers of metallic classing. Tremendous research is being performed on a variety of these superconducting materials, and new irradiation data is now available. This raises the possibility of operating nearfuture high-temperature superconductors at a moderately low temperature to dramatically reduce the amount of shielding required. At the same time, a first generation space engine may require low-temperature superconductors, which are higher TRL and have been designed for space coils before (AMS-02 experiment for the ISS). We performed detailed analysis of the startup system and thermal conversion system components. The ideal working fluid was determined to be a blend of Helium and Xenon. No significant problems were identified with these subsystems. For the RF system, we conceived of a new, more efficient design using state-of-the-art switch amplifiers, which have the potential for 100% efficiency. This report presents details of our engine and trajectory analyses, mass modeling efforts, and updated vehicle designs.

temperature↗

The Integrated Impact of Diet on Human Immune Response, the Gut Microbiota, and Nutritional Status During Adaptation to Spaceflight

Long-duration spaceflight impacts human physiology, including well documented immune system dysregulation. Diet, the microbiome, and immune system function are interlinked, but diet is the only one of these factors that we have the ability to easily, and significantly, alter on Earth or during flight. As we better understand dietary impacts on physiology, we may then improve the spaceflight diet to improve crew health and potentially reduce spaceflight-associated physiological decrements. Increasing the consumption of fruits and vegetables and bioactive compounds (e.g., omega-3 fatty acids, lycopene, flavonoids) and therefore enhancing overall nutritional intake from the nominal shelf-stable, fully-processed, space food system is expected to serve as a countermeasure to detrimental impacts to human physiology, including dysregulation in immunological profiles, the taxonomic profile of the gut microbiota, and nutritional status during spaceflight. In this study, first we sought to determine the effect of the nominal shelf-stable spaceflight diet compared to an "enhanced" shelf-stable spaceflight diet on human biochemistry, immunology, and the microbiome in a ground-based, simulated space mission. The ground analog portion of this study was conducted in the NASA Human Exploration Research Analog (HERA) Campaign 4 missions, which consisted of four 45-day missions with closed chamber confinement and realistic mission simulation to study effects on crew health and performance. As reported previously, analyses indicate beneficial associations between diet and markers of nutritional status, stress, the microbiome, and cognitive performance. Intake and beneficial associations varied by subject. This data will be used as a ground-based control for spaceflight, where the spaceflight environment (e.g., radiation, microgravity) will have additional impacts and the potential to evaluate effects of the diet will be greater. The second phase of this study is to occur on the International Space Station, where it is currently being implemented. The test plan is similar to that used in the HERA missions. The enhanced diet is intended to provide 25% of the crews’ diet with foods rich in omega-3 fatty acids, lycopene, and flavonoids, along with more fruits and vegetables in general (the other 75% of the diet will be obtained from standard and crew preference items available on the ISS). Biological samples (blood, urine, stool, and saliva) are being collected from participants at selected time points before, during, and after the mission. Data collection also includes dietary intake recording and body mass measurement. Currently, 6 of 9 planned astronauts have completed data collection. Analysis of immune markers, latent herpes virus reactivation, the taxonomic and metatranscriptomic profile of the gut microbiome, and nutritional status biomarkers and biochemical metabolites will occur in batch to minimize sample handling variations. Mixed models statistical analyses will be used, incorporating random effects to account for repeated measures within individuals to assess the impact of diet on physiological outcomes. We expect this study to provide evidence of beneficial impact of this enhanced diet on crew health and adaptation to spaceflight. These data will aid in evidence-based mass-risk trades for food system design and development of targeted dietary interventions for future exploration-class space missions.

Grace L. Douglas↗

Using degrees of rate control to improve selective n-butane oxidation over model MOF-encapsulated catalysts: sterically-constrained Ag 3 Pd(111)

Metal nanoparticles encapsulated within metal organic frameworks (MOFs) offer steric restrictions near the catalytic metal that can improve selectivity, much like in enzymes. A microkinetic model is developed for the regio-selective oxidation of n -butane to 1-butanol with O 2 over a model for MOF-encapsulated bimetallic nanoparticles. The model consists of a Ag 3 Pd(111) surface decorated with a 2-atom-thick ring of (immobile) helium atoms which creates an artificial pore of similar size to that in common MOFs, which sterically constrains the adsorbed reaction intermediates. The kinetic parameters are based on energies calculated using density functional theory (DFT). The microkinetic model was analysed at 423 K to determine the dominant pathways and which species (adsorbed intermediates and transition states in the reaction mechanism) have energies that most sensitively affect the reaction rates to the different products, using degree-of-rate-control (DRC) analysis. This analysis revealed that activation of the C–H bond is assisted by adsorbed oxygen atoms, O*. Unfortunately, O* also abstracts H from adsorbed 1-butanol and butoxy as well, leading to butanal as the only significant product. This suggested to (1) add water to produce more OH*, thus inhibiting these undesired steps which produce OH*, and (2) eliminate most of the O 2 pressure to reduce the O* coverage, thus also inhibiting these steps. Combined with increasing butane pressure, this dramatically improved the 1-butanol selectivity (from 0 to 95%) and the rate (to 2 molecules per site per s). Moreover, 40% less O 2 was consumed per oxygen atom in the products. Under these conditions, a terminal H in butane is directly eliminated to the Pd site, and the resulting adsorbed butyl combines with OH* to give the desired 1-butanol. These results demonstrate that DRC analysis provides a powerful approach for optimizing catalytic process conditions, and that highly selectivity oxidation can sometimes be achieved by using a mixture of O 2 and H 2 O as the oxidant. This was further demonstrated by DRC analysis of a second microkinetic model based on a related but hypothetical catalyst, where the activation energies for two of the steps were modified.

catalysis (heterogeneous), materials and chemistry↗

Understanding and Modeling Pooled Rideshare Acceptance: Influential Factors, Preferred User Experiences, and Implications

Ridesharing allows people to share a vehicle with others traveling in the same direction, which can reduce costs and traffic congestion. Pooled rideshare (PR) services, such as UberX Share and Lyft Shared, offer an economical and environmentally friendly alternative by matching passengers traveling similar routes. However, despite these benefits, PR adoption remains low due to concerns about safety, privacy, and convenience. This research explores the factors influencing PR adoption and provides recommendations to improve user acceptance. A nationwide survey of 5,385 participants across the U.S. was conducted to understand why people choose or avoid PR. The study identified five key factors influencing PR consideration: safety, service experience, privacy, traffic/environment, and time/cost. Additional research examined ways to optimize PR experiences by identifying four critical factors: comfort/ease of use, convenience, vehicle technology/accessibility, and passenger safety. To measure the impact of these factors, a statistical model called the Pooled Rideshare Acceptance Model (PRAM) was developed, providing insights into how each element influences PR adoption. Further analysis using the Pooled Rideshare Acceptance Model Multigroup Analyses (PRAMMA) revealed how demographic characteristics such as age, gender, income, and past rideshare experience shape PR perceptions. Some key findings from the multigroup analyses showed that younger users valued technological features and environmental benefits, while older users prioritized reliability and service transparency. Additionally, privacy concerns were more significant for female users, while convenience was critical for higher-income groups. These results emphasize that a 'onesize-fits-all' approach to PR service design is not effective, highlighting the need for tailored strategies to address different user segments. Further, workshops were conducted with researchers and students to translate the findings into real-world solutions. These workshops and 3 all the statistical analyses led to the development of 95 actionable recommendations. The recommendations focus on key areas such as safety, service reliability, user education, and accessibility, offering tangible improvements to PR services. The insights from this study provide valuable guidance for policymakers, transportation network companies (TNCs), and researchers aiming to make PR services safer, more accessible, and widely accepted. By addressing user concerns, PR can become a more viable transportation option, supporting sustainable urban mobility and reducing reliance on private vehicles. Additionally, these findings emphasize the importance of user-centric service design in encouraging broader PR adoption. Future research should explore evolving trends in PR preferences, technological advancements, and policy changes to ensure continued improvements. By implementing these recommendations, PR services can better align with user expectations, enhance trust in shared mobility, and contribute to a more efficient transportation ecosystem.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Utilizing remote sensing of Thematic Mapper data to improve our understanding of estuarine processes and their influence on the productivity of estuarine-dependent fisheries

The purpose of the project is to refine and validate a probabilistic spatial computer model through the analyses of thematic mapper imagery. The model is designed to determine how the interface between marshland and water changes as marshland is converted to water in a disintegrating marsh. Coastal marshland in Louisiana is disintegrating at the rate of approximately 40 sq mi a year, and an evaluation of the potential impact of this loss on the landings of estuarine-dependent fisheries is needed by fisheries managers. Understanding how marshland-water interface changes as coastal marshland is lost is essential to the process of evaluating fisheries effects, because several studies suggest that the production of estuarine-dependent fish and shellfish may be more closely related to the interface between marshland and water than to acreage of marshland. The need to address this practical problem has provided an opportunity to apply some scientifically interesting new techniques to the analyses of satellite imagery. Progress with the development of these techniques is the subject of this report.

Browder, Joan A.↗

Influences and interactions of inundation, peat, and snow on active layer thickness

The effect of three environmental conditions: 1) thickness of organic soil, 2) snow depth, and 3) soil moisture content or water table height above and below the soil surface, on active layer thickness (ALT) are investigated using an ensemble of 1D thermal hydrology models. Sensitivity analyses of the ensemble exposed the isolated influence of each environmental condition on ALT and their multivariate interactions. The primary and interactive influences are illustrated in the form of color maps of ALT change. Results show that organic layer acts as a strong insulator, and its thickness is the dominant control of ALT, but the strength of the effect of organic layer thickness is dependent on the saturation state. Snow depth, subsurface saturation, and ponded water depth are strongly codependent and positively correlated to ALT.

54 ENVIRONMENTAL SCIENCES↗

Verification of 5D continuum gyrokinetic code COGENT: Studies of kinetic drift wave instability

COGENT (Continuum Gyrokinetic Edge New Technology) is a kinetic plasma simulation code that is being developed by the edge simulation laboratory (ESL) collaboration. The original version of the code has been developed in a 4D phase space (2D configuration space and 2D velocity space) to address kinetic plasma phenomena in a complex magnetic field geometry including the core, magnetic separatrix, and scrape-off layer regions. This paper is focused on extending the original 4D phase space to a 5D phase space (3D2V) to address full kinetic turbulences in a tokamak edge region. Here, we report on the current status of 5D COGENT, which presently operates in a shear-less, simple slab geometry. As a verification study, we use the problems of collision-less drift wave instability (universal instability) including its modification in the presence of collisional effects. The simulation model includes the gyrokinetic equations for ion and electron species coupled to the long-wavelength limit of the gyro-Poisson equation. Collisional effects are represented by the Krook collision model. Linear analytical results for the drift mode growth rate and real frequency are recovered, and the non-linear stage is modelled and analysed as well. In addition, extensive 5D runs have been performed to address the effects of the drift wave instability on blob/filamentary structures characteristic of a tokamak edge. Finally, a helical-shaped potential perturbation is observed to grow exponentially in time while spinning around the filament axis with electron drift frequency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

White-tailed deer population dynamics and adult female survival in the presence of a novel predator: Deer Population Dynamics

Recent localized declines in white-tailed deer ( Odocoileus virginianus ) populations in the southeastern United States have been linked to increasing predation pressure from coyotes ( Canis latrans ), a novel predator to the region. Studies have documented coyotes as the leading cause of mortality for neonates, and 1 study documented coyotes as a mortality factor for adult females. However, no study has used field-based vital rates to conduct sensitivity analyses or model deer population trajectories under potential harvest or predator removal strategies. We used low, medium, and high values of fawn survival, adult female survival, and fecundity data collected from Fort Bragg Military Installation, North Carolina to demonstrate the current declining population trajectory for deer (λ = 0.905; low λ = 0.788, high λ = 1.003). Consistent with other studies of ungulates, we determined adult female survival was the most sensitive and elastic vital rate. Further, for 3 potential management (“what if”) scenarios, we projected the population for 10 years using estimated vital rates. Reducing adult female harvest (λ = 0.935; low λ = 0.875, high λ = 1.002) and coyote removal (λ = 0.995; low λ = 0.898, high λ = 1.081) reduced the current population decline, whereas combining both approaches (λ = 1.024; low λ = 0.898, high λ = 1.141) resulted in population increases. Our data indicate that for low-density deer populations with heavy predation pressure on neonates, protecting adult females from harvest may not completely offset population declines. Coyote removal might be a necessary strategy because it could possibly increase very low fawn survival, which appears to be the most important vital rate influencing λ in our study. However, managers may have to start with reductions in adult female harvest because coyote removal would have to be continuous and consistently effective, making it an impractical management approach by itself.

60 APPLIED LIFE SCIENCES↗

Post-Combat-Injury Opioid Prescription and Alcohol Use Disorder in the Military

Previous studies have identified combat exposure and combat traumatic experience as problematic drinking risk factors. Increasing evidence suggests that opioid use increases the risk of alcohol use disorder. This study investigated the association between opioid prescription use after injury and (1) alcohol use disorder and (2) severity of alcohol use disorder among deployed military servicemembers. Deidentified health records data of 9,029 deployed servicemembers from a retrospective cohort study were analyzed. Data were randomly selected from the Department of Defense Trauma Registry and included servicemembers with combat injuries during deployment in Iraq or Afghanistan (2002–2016). Pharmacy records and International Classification of Diseases, Ninth and Tenth Revision diagnosis codes were used. Three groups were identified (no opioid prescription use, nonpersistent opioid prescription use, and persistent opioid prescription use) and were compared on the basis of alcohol use disorder risk using Cox proportional hazard models. Data analyses were performed in 2021. Of the 9,029 servicemembers with combat injury, 2,262 developed alcohol use disorder (1,322 developed severe alcohol use disorder). Compared with no opioid prescription use, increased alcohol use disorder risk was associated with persistent opioid prescription use, with a hazard ratio of 1.13 (95% CI=1.02, 1.26). After covariate adjustment, increased risk remained statistically significant (hazards ratio=1.24; 95% CI=1.10, 1.39). There was no significant difference in alcohol use disorder risk between no opioid prescription use and nonpersistent opioid prescription use. The risk of severe alcohol use disorder did not vary by opioid use among servicemembers with alcohol use disorder diagnosis. Furthermore, the findings of the study suggest that the incidence of alcohol use disorder was higher among injured servicemembers with persistent opioid prescription use than among those without opioid use. If replicated in prospective studies, the findings highlight the need for clinicians to consider the current and history of alcohol use of patients in initiating treatment involving opioids.

60 APPLIED LIFE SCIENCES↗

Spectroscopy of a one-dimensional V-shaped quantum well with a point impurity

We consider the one-dimensional Hamiltonian with a V-shaped potential H{sub 0}=(1/2) [−((d{sup 2})/(dx{sup 2}))+|x|], decorated with a point impurity of either δ-type, or local δ{sup ′}-type or even nonlocal δ{sup ′}-type, thus yielding three exactly solvable models. We analyse the behaviour of the change in the energy levels when an interaction of the type −λ δ(x) or −λ δ(x−x{sub 0}) is switched on. In the first case, even energy levels, pertaining to antisymmetric bound states, remain invariant with respect to λ even though odd energy levels, pertaining to symmetric bound states, decrease as λ increases. In the second, all energy levels decrease when the factor λ increases. A similar study has been performed for the so-called nonlocal δ{sup ′} interaction, requiring a coupling constant renormalisation, which implies the replacement of the form factor λ by a renormalised form factor β. In terms of β, odd energy levels are unchanged. However, we show the existence of level crossings: after a fixed value of β the energy of each even level, with the natural exception of the first one, becomes lower than the constant energy of the previous odd level. Finally, we consider an interaction of the type −λδ(x)+μδ{sup ′}(x), and analyse in detail the discrete spectrum of the resulting self-adjoint Hamiltonian.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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↗

Proton Beam Therapy and Accountable Care: The Challenges Ahead

Purpose: Proton beam therapy (PBT) centers have drawn increasing public scrutiny for their high cost. The behavior of such facilities is likely to change under the Affordable Care Act. We modeled how accountable care reform may affect the financial standing of PBT centers and their incentives to treat complex patient cases. Methods and Materials: We used operational data and publicly listed Medicare rates to model the relationship between financial metrics for PBT center performance and case mix (defined as the percentage of complex cases, such as pediatric central nervous system tumors). Financial metrics included total daily revenues and debt coverage (daily revenues − daily debt payments). Fee-for-service (FFS) and accountable care (ACO) reimbursement scenarios were modeled. Sensitivity analyses were performed around the room time required to treat noncomplex cases: simple (30 minutes), prostate (24 minutes), and short prostate (15 minutes). Sensitivity analyses were also performed for total machine operating time (14, 16, and 18 h/d). Results: Reimbursement under ACOs could reduce daily revenues in PBT centers by up to 32%. The incremental revenue gained by replacing 1 complex case with noncomplex cases was lowest for simple cases and highest for short prostate cases. ACO rates reduced this incremental incentive by 53.2% for simple cases and 41.7% for short prostate cases. To cover daily debt payments after ACO rates were imposed, 26% fewer complex patients were allowable at varying capital costs and interest rates. Only facilities with total machine operating times of 18 hours per day would cover debt payments in all scenarios. Conclusions: Debt-financed PBT centers will face steep challenges to remain financially viable after ACO implementation. Paradoxically, reduced reimbursement for noncomplex cases will require PBT centers to treat more such cases over cases for which PBT has demonstrated superior outcomes. Relative losses will be highest for those facilities focused primarily on treating noncomplex cases.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Aqueous ion partitioning in Nafion: Applicability of Manning's counter-ion condensation theory

Nafion is a well-studied polymer of significant interest as a fuel cell membrane due to rapid transport of protons, which is often ascribed, at least in part, to its phase-separated morphology. The literature detailing ion sorption and transport in Nafion diverges considerably from that of water purification membranes, with contrasting analyses and models. To help bridge these gaps and facilitate comparisons of membranes with various structures, this study presents measurements of ion activity coefficients and sorption in Nafion 117 equilibrated with aqueous solutions of NaCl, MgCl 2 , and Na 2 SO 4 , which are relevant to water purification. The experimental data are compared to a theoretical framework based on Manning's counter-ion condensation theory and Donnan theory. Good agreement between the model and data is observed for NaCl and MgCl 2 , using no adjustable parameters. However, the model significantly underpredicts Na 2 SO 4 solubility, which is attributed to ion pairing effects. Furthermore, the results highlight the general applicability of counter-ion condensation theory to highly charged polymers, including those exhibiting nanoscale ordering, while revealing fundamental limitations related to ion pairing.

36 MATERIALS SCIENCE↗

Hybrid Floating Solar Photovoltaics-Hydropower Systems: Benefits and Global Assessment of Technical Potential

Floating solar photovoltaics (FPV) is an emerging, and increasingly viable, application of photovoltaics (PV) in which systems are sited directly on waterbodies. Despite growing market interest, FPV system deployment is nascent, and potential adopters remain concerned about the technology, the benefits it offers, the advantages to pairing it in hybrid systems (such as with hydropower), and how to analyze technical potential. To support decision making, we provide a review of associated benefits of hybrid FPV-hydropower system operation and a novel, geospatial approach to assess the global technical potential of these systems employing publicly available, global datasets. We identify significant potential globally for FPV hybridized with hydropower ranging from 3.0?TW to 7.6?TW (4,251?TWh to 10,616?TWh annual generation), based on the assumptions made. We detail operational benefits that these hybrid systems may provide that could be quantified in future modeling and/or analyses of existing or planned hybrid systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Description of global EGAM in the maximum of local frequency during current ramp-up discharges in DIII-D

Energetic-particle-induced geodesic acoustic modes, EGAMs (Fu, Phys. Rev. Let., vol. 101, 2008, pp. 185002), driven by neutral beam injection (NBI), have been observed in many DIII-D tokamak experiments (Nazikian et al., Phys. Rev. Lett., vol. 101, 2008, pp. 185001). This mechanism has been theoretically investigated in (Qiu et al., Plasma Phys. Control. Fusion, vol. 52, 2010, pp. 095003), using a sharp energetic particle distribution function, and in (Qu et al., Plasma Phys. Control. Fusion, vol. 59, 2017, pp. 055018), where the dispersion relation and eigenmode behaviour were obtained for the situation of early beam scenario, that is, for times smaller than the beam slowing down time. In this work, we extend these studies determining the eigenmode for beyond the slowing down time, in a scenario with reverse safety factor q profile, where a small concentration of energetic ions can produce an off-axis maximum in the GAM dispersion relation. Here, the characteristics of EGAM are analytically studied with the drift kinetic equation together with the MHD code NOVA. The toroidal energetic ion transit frequency, coupled with the GAM frequency, produces the maximum in the dispersion relation where the eigenmode can be found. The quantitative correspondence of experimental results with the predictions of the proposed model is analysed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the Network Topology of Cross-Linked Acrylate Photopolymers: A Molecular Dynamics Case Study

A reactive molecular dynamics approach is used to simulate cross-linking of acrylate polymer networks. By employing the same force field and reactive scheme and studying three representative multifunctional acrylate monomers, we isolate the importance of the nonreactive moieties within these model monomers. Analyses of reactive trajectories benchmark the estimated gel points, cyclomatic character, and spatially resolved cross-linking tendencies of the acrylates as a function of conversion. The insights into the similarities and differences of the polymerization and resulting networks presented here suggest molecular mechanics as a useful tool in the rational design of photopolymerization resins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Orientational Pair Correlations in a Dipolar Molecular Liquid: Time-Resolved Resonant and Nonresonant Pump–Probe Spectroscopies

Orientational pair correlations (OPCs), when they are sufficiently strong in a liquid, contain information on the interplay between structure and dynamics that arise from intermolecular interactions. Consequently, the quantification of OPCs remains a subject of substantial interest in current experimental and theoretical work. In the case of benzonitrile, the importance of OPCs remains ambiguous owing to the use of model-dependent analyses or reliance on a single spectroscopic technique. In this work, IR polarization selective pump-probe (PSPP) and optical heterodyne-detected optical Kerr effect (OHD-OKE) experiments were used to quantify OPCs in benzonitrile. These methods measure single molecule and collective relaxation, respectively. Comparison of the orientational correlation function (PSPP) of the naturally abundant 13CN stretching mode and the polarizability anisotropy relaxation (OHD-OKE) of the liquid revealed that collective reorientation was a factor of 1.56 ± 0.08 slower than the single molecule reorientation time. The two types of measurements on dilute benzonitrile in carbon tetrachloride were the same within experimental error. These results support the proposition that OPCs exist and arise from the formation of parallel-aligned intermolecular structures in the neat liquid.

14 SOLAR ENERGY↗

Analysis of Brackish Water Desalination for Municipal Uses: Case Studies on Challenges and Opportunities

Brackish water is a widely available, nontraditional water resource that can augment limited freshwater supplies. Although brackish water desalination has been continuously implemented in the United States and worldwide, it is necessary to reduce further its energy consumption, costs, and environmental impacts. This study conducted technoeconomic analyses to evaluate the current desalination and brine management technologies, focusing on the key factors and opportunities for sustainable brackish water desalination for municipal uses. Three case studies were selected as baseline representative of different geographic and operational conditions, including water quality, plant size, pretreatment, desalination, and concentrate management. Here, the technoeconomic analyses and model simulations identified challenges, opportunities, and research priorities to achieve specific pathways for enhanced brackish water desalination regarding levelized costs of water, electricity intensity, water recovery, zero liquid discharge, and brine valorization.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗