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At least 1,135 records · Page 63

Efficient bi-directional coupling of 3D computational fluid-particle dynamics and 1D Multiple Path Particle Dosimetry lung models for multiscale modeling of aerosol dosimetry

The development of predictive aerosol dosimetry models has been a major focus of environmental toxicology and pharmaceutical health research for decades. One-dimensional (1D) models successfully predict overall deposition averages but fail to accurately predict local deposition. Computational fluid-particle dynamics (CFPD) models provide site-specific predictions but at a computational cost that prohibits whole lung predictions. Thus, there is a need for developing multiscale strategies to provide a realistic subject-specific picture of the fate of inhaled aerosol in the lungs. CT-based 3D/CFPD models of the large airways were bidirectionally coupled with individualized 1D Navier-Stokes airflow and particle transport based upon the widely used Multiple Path Particle Dosimetry Model (MPPD). Distribution of airflows among lobes was adjusted by measured lobar volume changes observed in CT images between FRC and FRC + 1.5 L. Additionally, as a test of the effectiveness of the coupling procedures, deposition modeling of previous 1 µm aerosol exposure studies was performed. The complete coupled model was run for 3 breaths, with the computation-intense portion being the 3D CFD Lagrangian particle tracking calculation. The average deposition per breath was 11% in the combined multiscale model with site-specific doses available in the CFPD portion of the model and airway- or region-specific deposition available for the MPPD portion. In conclusion, the key methods developed in this study enable predictions of ventilation heterogeneities and aerosol deposition across the lungs that are not captured by 3D or 1D models alone. Overall, these methods can be used as the foundation for multi-scale modeling of the full respiratory system.

60 APPLIED LIFE SCIENCES↗

ENSO regimes and the late 1970's climate shift: The role of synoptic weather and South Pacific ocean spiciness

South Pacific subtropical density compensated temperature and salinity (spiciness) anomalies are known to be associated with decadal equatorial variability, however, the mechanisms by which such disturbances are generated, advect and the degree to which they modulate the equatorial thermocline remains controversial. During the late 1970's a climate regime transition preceded a period of strong and sustained El Nino events. Using an ocean general circulation model forced by the constituent mechanical and thermodynamic components of the reanalysed atmosphere we show that the late 1970's transition coincided with the arrival of a large-scale, subsurface cold and fresh water anomaly in the central tropical Pacific. An ocean reanalysis for the period 1990–2007 that assimilates subsurface Argo, XBT and CTD data, reveals that disturbances occur due to the subduction of negative surface salinity anomalies from near 30° S, 100° W which are advected along the σ=25–26 kgm{sup −3} isopycnal surfaces. These anomalies take, on average, seven years to reach the central equatorial Pacific where they may substantially perturb the thermocline before the remnants ultimately ventilate in the region of the western Pacific warm pool. Positive (warm–salty) disturbances, known to occur due to late winter diapycnal mixing and isopycnal outcropping, arise due to both subduction of subtropical mode waters and subsurface injection. On reaching the equatorial band (10° S–0° S) these disturbances tend to deepen the thermocline reducing the model's ENSO. In contrast the emergence of negative (cold–fresh) disturbances at the equator are associated with a shoaling of the thermocline and El Nino events. Process studies are used to show that the generation and advection of anomalous density compensated thermocline disturbances critically depend on stochastic forcing of the intrinsic ocean by weather. We further show that in the absence of the inter-annual component of the atmosphere forcing Central Pacific El Nino events are manifest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Coupling compositional liquid gas Darcy and free gas flows at porous and free-flow domains interface

This paper proposes an efficient splitting algorithm to solve coupled liquid gas Darcy and free gas flows at the interface between a porous medium and a free-flow domain. This model is compared to the reduced model introduced in [6] using a 1D approximation of the gas free flow. For that purpose, the gas molar fraction diffusive flux at the interface in the free-flow domain is approximated by a two point flux approximation based on a low-frequency diagonal approximation of a Steklov–Poincaré type operator. The splitting algorithm and the reduced model are applied in particular to the modelling of the mass exchanges at the interface between the storage and the ventilation galleries in radioactive waste deposits.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Investigating the influence of environmental information on perceived indoor environmental quality: An exploratory study

Under the assumption that information can impact perception, most research on human sensation and satisfaction with indoor environmental quality (IEQ) parameters has been conducted with respondents uninformed about the test conditions. Therefore, researchers know little about the impact of information on perception. These potential effects are increasingly relevant as quantitative information about indoor environments becomes accessible via low-cost, wirelessly connected sensors. In this experimental study, 48 subjects were exposed to varied indoor environmental conditions and provided with different types of environmental information. The subjects' sensation and satisfaction were compared when they were blinded or provided with quantitative information about and/or qualitative ratings of specific parameters. The results indicate that accurate information on parameter values influenced how the subjects perceived the indoor air quality (IAQ) but not how they perceived the thermal, acoustic, or visual quality. The subjects rated the IAQ more positively when they were informed that there were nonzero ventilation rates. The qualitative ratings influenced the subjects' perceptions of all four environmental factors, but in different directions. The subjects generally had more positive sensation and higher satisfaction when they were told that the parameter values and qualitative ratings were more favorable than the test conditions. However, the improved sensation and satisfaction were often not as good as when the environmental conditions were actually improved and the subjects were provided with accurate information. Here, these findings affirm the critical need for more research on the impacts of information on perceptions of the indoor environment.

42 ENGINEERING↗

Assessing the impacts of air-sealing on the sizing, operation, and economic feasibility of ground-source heat pumps for electrifying single-family houses in the US

According to recent studies and reports, in single-family houses (SFHs), air-sealing can significantly lower the thermal loads for space heating and cooling. Thus, air-sealing in SFHs could reduce the required size and cost of ground source heat pump (GSHP) systems for electrifying SFHs. Here, this study investigated the costs and benefits of integrating air-sealing with GSHPs for retrofitting existing SFHs when compared with air-source heat pumps. A whole building energy simulation tool integrated with an advanced design tool for modeling ground heat exchangers was used to calculate changes in required GSHP capacity, total borehole length, and building energy consumption with and without air-sealing in SFHs in 16 US climatic regions. The results from this study showed that reducing outdoor air infiltration from 0.8 air changes per hour (ACH) to the minimum ventilation requirement (0.35 ACH) can significantly reduce borehole length (up to 55 %), GSHP capacity (up to 48 %), and total heating electricity reduction, especially in cold climates (up to 44 %). The results also showed that for airtight homes (0.03 ACH infiltration) with a direct outdoor air system, the minimum required borehole length, GSHP capacity, and total heating electricity consumption can be reduced up to 70 %, 68 %, and 67 %, respectively, when compared with SFHs with 0.8 ACH infiltration. Moreover, the life cycle cost analysis showed that air-sealing in conjunction with a GSHP is more profitable than replacing the existing system with an air-source heat pump, even without any incentives for most climatic regions in the US (except for some hot regions).

15 GEOTHERMAL ENERGY↗

Thermal performance and energy consumption validation of an occupied local government office building outfitted with ceiling tile phase change materials

Buildings present an opportunity for energy conservation and the modulation of peak energy demand through controlled Heating, Ventilation, and Air Conditioning (HVAC) energy use. The administrative and office building stock in the United States holds potential to achieve energy and demand savings through retrofits such as insulation, weatherization, and thermal energy storage. Specifically, there is a need to validate passive phase change material (PCM) applications in full scale in aging administrative buildings in the US to evaluate the energy benefits. Aim of this study was to conduct a whole building level thermal and energy validation of an operational building and explore an alternative method for evaluating energy efficiency. To accomplish this, the study employed PCMs in the drop ceiling and carry out an energy audit and on-site measurement of HVAC systems' energy demand and consumption. A full-scale EnergyPlus energy model, modeled by the authors, served as a baseline for evaluation. The results show that calibrated model's envelope temperature measures fall within the accepted errors. HVAC energy simulation results also fall within the accepted errors for monthly and hourly pre- and post- PCM retrofit electricity and natural gas data. The novelty of this study is that it employees energy scales per Heating Degree Hour and Cooling Degree Hour, in contrast to the commonly used Heating Degree Days and Cooling Degree Days as reported in the literature to analyze energy savings. These findings underscore the pivotal role of a calibrated model in assessing the efficacy of a singular energy measure, like a PCM-retrofitted ceiling, in an occupied office building.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Evaluation of HVAC & refrigeration system fault behaviors and impacts: A systematic review

Achieving the goals of green buildings critically depends on the fault-free operation of heating, ventilation and air conditioning and refrigeration (HVAC&R) systems. However, faults frequently occur in these systems, causing a range of negative consequences, including increased energy consumption, diminished operational performance, compromised indoor environmental quality, higher operational costs, and shortened system lifespan. The evaluation of fault behaviors and impacts plays a critical role in revealing fault characteristics and consequently supports many research areas, including the design of the high-performance equipment, development of fault detection and diagnostics (FDD) and robust control approaches, as well as the enhancement of maintenance decision-making activities. This paper systematically reviews 112 research publications that reported the analysis and evaluation of fault behaviors and impacts in HVAC&R systems over the past thirty years. Here, we designed a review approach to address five crucial research questions, namely: 1) the objectives of analysis and evaluation of fault behaviors and impacts, 2) data sources, 3) equipment/system types and fault types, 4) evaluation methods including evaluation measures and associated metrics, and 5) challenges and future directions in the research on evaluating of fault behaviors and impacts. In-depth discussions on these questions help bridge the gap between the evaluation of fault behaviors and impacts and their practical applications, such as the development of high-performance systems, fault models, FDD methods, and maintenance decision-making tools within the HVAC&R FDD domain.

Chen, Yimin [Oak Ridge National Laboratory (ORNL),↗

Cloud-based implementation of white-box model predictive control for a GEOTABS office building: A field test demonstration

Model predictive control (MPC) has been proven in simulations and pilot case studies to be a superior control strategy for large buildings. MPC can utilize the weather and occupancy schedule forecasts, together with the system model, to predict the future thermal behavior of the building and minimize the overall energy use and maximize thermal comfort. However, these advantages come with the cost of increased modeling effort, computational demands, communication infrastructure, and commissioning efforts. Thus a typical approach is to, often rapidly, simplify the building modeling and MPC optimization problem while paying a price of not reaching the full performance potential. It has been shown that by employing accurate physics-based models, MPC performance can be notably increased closer to its theoretical performance bound. However, implementation of such high-fidelity MPC in real buildings remains a challenge, resulting in a lack of successful field test studies. This work presents the methodology and field test demonstration of a computationally efficient implementation of the white-box MPC in an office building in Belgium. The detailed model of the building is based on first-principle physical equations. The deployment and supervision of MPC operation in a practical setting are supported by an automated cloud-based communication infrastructure. The motivating factor behind the cloud-based architecture is its compatibility with a commercially appealing control as a service concept. The building is equipped with a ground source heat pump (GSHP) and thermally activated building structures (TABS), where the combination of both is also known as GEOTABS. From a control perspective, GEOTABS buildings are particularly challenging systems due to large scale, complex heating, ventilation and air conditioning (HVAC) system, and slow dynamics with time delays. On the other hand, there is an increased potential for energy savings due to the high thermal mass, which acts as thermal storage. The MPC operation is demonstrated during the challenging transient seasons (switching between heating and cooling), and its performance is compared to a traditional rule-based controller (RBC). We provide a proof of concept of real MPC operation for the most difficult seasons with notable GSHP energy use savings equal to 53.5% and thermal comfort improvement by 36.9%. Other MPC applications found in the literature describe tests for only cooling or only heating, and up to now only for a black-box or a grey-box approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Quantitative and three-dimensional assessment of holdup material

Nuclear material deposited in equipment, transfer lines, and ventilation systems of a processing facility is usually referred to as holdup. Operators need to know the location and amount of holdup in their facility for radiation safety and material accountability. In this work, we propose to use an array of detectors co-axial to the inspected pipe to measure the holdup material. This method is implementable into an automated system capable of crawling on surfaces and pipes of various curvatures, which would enable faster, easier, and more accurate holdup safeguards measurements. We first demonstrated that the current holdup assay procedure could lead to a non-negligible bias in the estimate of special nuclear material mass, due to the simplified assumption of deposited geometry introduced by the Generalized Geometry Holdup (GGH) model. The new approach consists of imaging the inner holdup material by characterizing the detector array’s response and unfolding it from the measured light output. Our experimental proof of principle consists of three NaI(Tl) detectors surrounding an aluminum pipe containing two cesium-137 ( 137 Cs) sources. We derived the source distribution inside the pipe by first calculating the detector response matrix using a method adaptive to the surface geometry of the object containing the measured holdup material. Creating a matrix of the detector array’s measured counts, we then proceed to solve an inverse problem, resulting in an accurately located source position and activity distribution within the response matrix’s spatial resolution. Furthermore, we then developed a simulated model of the envisioned experimental setup, which accurately described both the activity and position of the source in 2D. Finally, we extended our model onto a discretized three-dimensional model of the system, encompassing 36 detectors. The model was simulated to measure the source distribution and activity of multiple sources in pipes of varied geometries, which could then be conveniently translated to a real-time holdup measurement protocol. For the 3D simulation of four different source geometries, the model accurately localized the source position in 3D, while the activity retained a maximum relative error of ±5.32%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Application of QMU to the design of a nuclear waste storage tank

Defining the reliability of complex physical systems is crucial for system certification and guaranteeing safety, but is often complicated by the presence of many uncertainties and system sub-components. One such example is the certification of the Hanford Waste Treatment Plant, where radioactive and toxic chemical waste that spontaneously generates flammable gases is stored in large tanks. We introduce the QMU methodology to quantify the system safety of waste storage tanks in the event of a loss of tank ventilation, which poses a safety risk to workers. We also show how QMU can be used as a design tool to find operating regimes that maintain a desired confidence level. A simplified physical model is used to analyze the build-up of hydrogen gas in storage tanks and conduct an uncertainty propagation study to quantify the operating margin with respect to the flammability conditions. A demonstration problem is shown in which the radiation loading in a waste tank is iteratively modified until a desired confidence ratio is achieved. The results show that the resulting designs are sensitive to the use of interval or full QMU to achieve a confidence ratio, and it is not always possible to realize a design at a particular confidence ratio.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Bottom-water oxygenation and environmental change in Santa Monica Basin, southern California during the last 22 kyr

The Southern California Borderland (SCB) is a region that experiences strong natural variations in bottom water oxygen and pH. Here, we use marine sediments from the Santa Monica Basin (SMB) to reconstruct environmental conditions and changes in the basin's bottom water oxygenation from the Last Glacial Maximum (LGM) to present, and compare the records to the adjacent Santa Barbara Basin (SBB) and Santa Lucia Slope (SLS). High-resolution records of benthic foraminiferal oxygen and carbon isotopes (δ 18 O and δ 13 C), benthic foraminiferal assemblages, and bulk sedimentary organic matter geochemistry records exhibit major changes associated with late Quaternary millennial-scale global climate oscillations. Our data show the dominance of low-oxygen benthic foraminifera assemblages during warm intervals, and assemblages representing higher dissolved oxygen during cooler intervals, as also seen in SBB and SLS. But, our record shows a stronger and longer-lasting oxygen minimum zone (OMZ) between the end of the Bølling-Allerød (B-A) and the Early Holocene (including the Younger Dryas) than at neighboring sites, indicated by dominance of Bolivina tumida (characteristic of major hypoxia) in the assemblage. The middle to late Holocene (from ~ 8.8 to 0 ka) had weaker hypoxia than the early Holocene, with assemblages mainly composed of Bolivina argentea and Uvigerina peregrina. The SMB remains mostly slightly low in oxygen throughout the studied interval, with differences in the degree of hypoxia relative to SBB and SLS (especially from the B-A to the Early Holocene) likely due to its greater depth and its more southern geographic position and therefore decreased exposure to North Pacific Intermediate Water current. Regional effects, such as changing intermediate water source and/or changing ventilation (oxygenation) of the intermediate water source, also affect SMB deep water. Our analysis utilizing parallel geochemical and micropaleontological records brings new insights into bottom water and climate conditions in SMB, indicating regional similarities and differences with adjacent basins, and provides insight into the causes for changes in bottom water oxygenation.

54 ENVIRONMENTAL SCIENCES↗

Microbial community response and SDS-PAGE reveal possible mechanism of waste activated sludge acidification enhanced by microaeration coupled thermophilic pretreatment

Aiming to strengthen the performance of waste activated sludge digestion, pretreatment is a prerequisite for keeping operations within an industrially acceptable time- frame. The performance of microaeration coupled with thermophilic (MT) pretreatment on waste activated sludge solubilization and acidification was investigated. The results showed that the maximum soluble organics concentrations, including soluble proteins and carbohydrates, reached 2290 mg COD/L in 24 h when the ventilation rate and temperature were 0.05 vvm and 70 °C. SDS-polyacrylamide gel electrophoresis (SDS-PAGE) test on pure-culture (E.coli) and scanning electron microscopy analysis indicated that MT pretreatment effectively destroyed microbial cell wall and resulted in an increase in soluble proteins. Polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) analysis revealed that MT pretreatment reduced the diversity of the bacterial community during pretreatment. Along with the dissolution of a large quantity of organic matter, microbial species such as Lactococcus and Methyloversatilis bloomed at the end of acidification period, which contributed to SCFAs production. Finally, this study revealed that MT pretreatment facilitated the WAS hydrolysis efficiency and enhanced SCFAs (3149 mg COD/L with fermentation for 96 h) production, especially for acetic acid (50%) accumulation, which provides a new perspective for the application and recovery of sludge resources.

59 BASIC BIOLOGICAL SCIENCES↗

Geothermal district energy systems coupled with seasonal underground thermal energy storage: a U.S. techno-economic screening by climate and geology

In the United States, cooling-dominated commercial building loads can cause geothermal heat pump-based district energy systems to accumulate a long-term subsurface thermal imbalance, motivating the incorporation of seasonal underground thermal energy storage. We developed a transferable workflow to evaluate geothermal district systems that pair ground heat exchangers with seasonal underground thermal energy storage. Using standardized hourly loads for seven commercial buildings and a uniform cost framework, we simulated ten U.S. cities with a physics-based ground heat exchanger model, subsurface storage simulations, and economic assessment to isolate the roles of climate and hydrogeology. In cooling-dominated cities, underground thermal energy storage supplied the majority of annual cooling, cutting electricity use and summer peaks substantially while achieving levelized costs comparable to or below conventional chiller-boiler plants. In cooler climates, the storage share shrunk, required borefield size and costs rose, and levelized cost of energy increased nearly linearly with declining underground thermal energy storage fraction, indicating storage fraction as the primary economic lever. Sensitivity analysis showed capital risk dominated by borefield drilling and surface heating, ventilation, and air-conditioning and piping, with underground thermal energy storage costs secondary. This workflow provides a transparent foundation for site-specific design and screening of next-generation geothermal district energy systems.

25 ENERGY STORAGE↗

Mitigation of safety and environmental challenges posed by refrigerants

The abatement of safety and environmental burden associated with low and ultra-low Global Warming Potential (GWP) refrigerants is a critical undertaking. As the industry shifts towards more environmentally friendly alternatives, mitigating the potential risks and ensuring safety standards becomes paramount. The adoption of mildly and highly flammable refrigerants contributes significantly to minimizing the greenhouse gas impact on the environment, aligning with global climate and sustainability goals. However, it is essential to address safety concerns and potential environmental implications associated with the end use of these refrigerants. A method to mitigate the safety risk in a flammable refrigerant based heating, ventilation, air-conditioning, and refrigeration (HVACR) system is the primary focus of this paper. Advent of A2L and A3 refrigerants as replacements to high GWP refrigerants requires careful handling of leak episodes to lower or eliminate the risk associated with creating flammable mixtures capable of fire/explosion hazard. Solid materials tailored to target the molecule of interest (i.e., refrigerant.) by engineering the microporous structure as well as chemically functionalizing the surface to attract and hold on to the chemical compound being removed from the gas stream was realized. Quantitative analysis reveals the adsorbent's effectiveness in reducing leak potential in the range of 40 %–100 % for various refrigerants. Strategic placement and active leak management with negative pressure offer promising avenues for capturing leaked refrigerants, enhancing overall safety.

42 ENGINEERING↗

Net-zero energy building design and life-cycle cost analysis with air-source variable refrigerant flow and distributed photovoltaic systems

Net-zero energy building (NZEB) design has been gaining widespread acceptance as a major driver to reach feasible long-term goals of energy reductions in a building sector for the coming decades. Accordingly, net-zero energy targets for commercial buildings have been specified by federal and/or local government agencies in U.S. Although moving toward NZEB goals has technically feasible long-term advantages, economic issues are one of primarily concerns by building owners and designers for the application of advanced building technologies in NZEB design of their retrofit or new building construction. However, the lack of life cycle cost (LCC) data has still hindered reliable understanding of adopting NZEB design by building owners in a cost-effective manner. In response to this gap, this study conducts life-cycle cost analysis (LCCA) of NZEB design with an energy-efficient heating, ventilation, and air conditioning (HVAC) system and a solar power generation system. Here, to enable NZEB design, an air-source VRF heat pump (HP) type system is considered for energy-efficient HVAC equipment in an office building model with a grid-tied photovoltaic (PV) system. Results reveal that the LCC of NZEBs varies primarily due to a combined effect of annual site EUIs, on-site power generation, and cost-items of each location in U.S. climates. Some hot and mild climate zones in the U.S. represent that LCC values of NZEBs are considerably lower. In contrast, some other cold zones result in unattractive LCC values for NZEBs, caused by a combined effect of relatively lower potential of on-site PV electricity generation and city cost indices. Yet, with subsidized financing by the federal government for PV installation costs, LCC values of NZEBs become significantly attractive in most climate locations.

42 ENGINEERING↗

Enhanced ZIF-8-enabled colorimetric CO 2 sensing through dye-precursor synthesis

The accumulation of carbon dioxide (CO 2 ) within enclosed spaces, along with volatile organic compounds, under certain humidity, temperature, and ventilation conditions is associated with detrimental human health symptoms such as fatigue. Color-based chemical sensing is a promising approach to detect CO 2 levels relevant to indoor air quality through producing fast, quantifiable output visible to the naked eye. In a prior work, a colorimetric gas sensor was fabricated through synthesizing the metal-organic framework, ZIF-8, as the adsorbent, followed by post-synthetic mixing with a dye, phenol red (PSP), and primary amine, ethylenediamine (ED). While this sensor (termed PSP-ED/ZIF-8) maintained its structural integrity in atmospheric conditions and exhibited an increasing fuchsia-to-yellow color change with increasing CO 2 levels in dry environment, the colorimetric response greatly suffered in the presence of humid CO 2 . Here in this work, a significantly improved colorimetric CO 2 sensor (referred to as ED/PSP:ZIF-8) is accomplished through directly incorporating phenol red in the ZIF-8 metal and linker precursor solutions and then blending with ethylenediamine. MATLAB-generated color distributions and in-situ ultraviolet-visible (UV-Vis) spectroscopic studies quantitatively demonstrate an enhanced colorimetric gas response of ED/PSP:ZIF-8 compared to that of PSP-ED/ZIF-8 across an important range of CO 2 for indoor air quality monitoring (500 – 3500 ppm) and across a range of humidity. The new sensor also exhibits high selectivity to CO 2 compared to select volatile organic compounds, such as acetone and ethanol, which contribute to human health symptoms experienced indoors. The enhanced performance is attributed to the proposed incorporation of phenol red within ZIF-8, while maintaining the chemical stability of the MOF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗