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DOE OSTI2023

Simulating the Transport and Rupture of Pollen in the Atmosphere

Pollen, one type of primary biological aerosol particle (PBAP), is emitted from the terrestrial biosphere and can undergo physical changes in the atmosphere via particle rupture. To examine the fate of pollen and its atmospheric processing, a pollen emission and transport scheme is coupled to the Weather Research and Forecasting Model with Chemistry (WRF-Chem). We simulate the emission of pollen and its impacts on the cloud properties and precipitation in the Southern Great Plains from 12 to 19 April 2013, a period with both high pollen emissions and convective activity. We conduct a suite of ensemble runs that simulate primary pollen and three different pollen rupture mechanisms that generate subpollen particles, including (a) high humidity-induced surface rupture, (b) high humidity-induced in-atmosphere plus surface rupture, and (c) lightning-induced rupture, where in-cloud and cloud-to-ground lightning strikes trigger pollen rupture events. When relative humidity is high (>80%), coarse primary pollen (~1 μg m –3 ) is converted into fine subpollen particles (~1.2e –4 μg m –3 ), which produces 80% more subpollen particles than lightning-induced rupture. The in-atmosphere humidity-driven rupture predominantly produces subpollen particles, which is further enhanced during a frontal thunderstorm. During strong convection, vertical updrafts lift primary pollen and subpollen particles (~0.5e –4 μg m –3 ) to the upper troposphere (~12 km) and laterally transports the ruptured pollen in the anvil top outflow. In regions of high pollen and strong convection, ruptured pollen can influence warm cloud formation by decreasing low cloud (<4 km) cloud water mixing ratios and increasing ice phase hydrometeors aloft (>10 km)

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Hydrogen bonding structure of confined water templated by a metal-organic framework with open metal sites

Abstract Water in confinement exhibits properties significantly different from bulk water due to frustration in the hydrogen-bond network induced by interactions with the substrate. Here, we combine infrared spectroscopy and many-body molecular dynamics simulations to probe the structure and dynamics of confined water as a function of relative humidity within a metal-organic framework containing cylindrical pores lined with ordered cobalt open coordination sites. Building upon the agreement between experimental and theoretical spectra, we demonstrate that water at low relative humidity binds initially to open metal sites and subsequently forms disconnected one-dimensional chains of hydrogen-bonded water molecules bridging between cobalt atoms. With increasing relative humidity, these water chains nucleate pore filling, and water molecules occupy the entire pore interior before the relative humidity reaches 30%. Systematic analysis of rotational and translational dynamics indicates heterogeneity in this pore-confined water, with water molecules displaying variable mobility as a function of distance from the interface.

Science & Technology - Other Topics↗

DOE OSTI2026

Balancing moisture and oxygen can match the crystallization dynamics of inert halide perovskite processing

Understanding crystallization in ambient environments is essential for scaling the fabrication of halide perovskite solar cells. Antisolvent-free perovskite deposition offers improved compatibility with high-throughput processing but introduces distinct crystallization dynamics relative to the more ubiquitous use of antisolvents in lab-scale perovskite fabrication. These dynamics are driven by interactions between solutes, solvent and the deposition environment. Using in situ wide-angle X-ray scattering during spin-coating and annealing, we demonstrate how relative humidity (RH) and oxygen, can be tuned to drive polytype evolution during ambient crystallization of formamidinium lead iodide to match that of inert synthesis and achieve comparable film and device quality. In an inert (N 2 ) environment, we find that perovskite films follow a well-established 2H → 3C phase transformation with a short period of coexistence of the 4H and 6H phase during heating. During crystallization in dry air (RH 0%), the added presence of oxygen leads to the dominance of 4H intermediate for an extended duration, establishing a 2H → 4H → 3C pathway. Introducing low humidity (RH 10%) suppresses the 4H phase to a short-lived intermediate above 100 °C, facilitating a more direct transition to the desired 3C phase and almost replicating the crystallization behavior observed under inert conditions. Interestingly, films crystallized under RH 10% show a lower onset temperature for the perovskite 3C phase than under N 2 . At higher humidity (RH 40%), the strong interaction of oxygen and moisture with iodoplumbates appears to stabilize higher order polytypes (4H and 6H). Devices fabricated under RH 10% achieve higher efficiency and enhanced stability compared to those produced under inert atmosphere. These findings provide mechanistic insight into crystallization pathways in different environments and provide a framework to transfer processes from inert to ambient conditions. The results highlight the critical role of controlled humidity in tuning antisolvent-free perovskite crystallization for scalable processing.

Hossain, Maimur [Univ. of California, San Diego, C↗

DOE OSTI2016

Environmentally induced chemical and morphological heterogeneity of zinc oxide thin films

Zinc oxide (ZnO) thin films have been reported to suffer from degradation in electrical properties, when exposed to elevated heat and humidity, often leading to failures of electronic devices containing ZnO films. This degradation appears to be linked to water and oxygen penetration into the ZnO film. However, a direct observation in the ZnO film morphological evolution detailing structural and chemical changes has been lacking. Here, we systematically investigated the chemical and morphological heterogeneities of ZnO thin films caused by elevated heat and humidity, simulating an environmental aging. X-ray fluorescence microscopy, X-ray absorption spectroscopy, grazing incidence small angle and wide angle X-ray scattering, scanning electron microscopy (SEM), ultra-high-resolution SEM, and optical microscopy were carried out to examine ZnO and Al-doped ZnO thin films on two different substrates—silicon wafers and flexible polyethylene terephthalate (PET) films. In the un-doped ZnO thin film, the simulated environmental aging is resulting in pin-holes. In the Al-doped ZnO thin films, significant morphological changes occurred after the treatment, with an appearance of platelet-shaped structures that are 100–200 nm wide by 1μm long. Synchrotron x-ray characterization further confirmed the heterogeneity in the aged Al-doped ZnO, showing the formation of anisotropic structures and disordering. X-ray diffraction and X-ray absorption spectroscopy indicated the formation of a zinc hydroxide in the aged Al-doped films. In conclusion, utilizing advanced characterization methods, our studies provided information with an unprecedented level of details and revealed the chemical and morphologically heterogeneous nature of the degradation in ZnO thin films.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Chronically underestimated: a reassessment of US heat waves using the extended heat index

Abstract The heat index, or apparent temperature, was never defined for extreme heat and humidity, leading to the widespread adoption of a polynomial extrapolation designed by the United States National Weather Service. Recently, however, the heat index has been extended to all combinations of temperature and humidity, presenting an opportunity to reassess past heat waves. Here, three-hourly temperature and humidity are used to evaluate the extended heat index over the contiguous United States during the years 1984–2020. It is found that the 99.9th percentile of the daily maximum heat index is highest over the Midwest. Identifying and ranking heat waves by the spatially integrated exceedance of that percentile, the Midwest once again stands out as home to the most extreme heat waves, including the top-ranked July 2011 and July 1995 heat waves. The extended heat index can also be used to evaluate the physiological stress induced by heat and humidity. It is found that the most extreme Midwest heat waves tax the cardiovascular system with a skin blood flow that is elevated severalfold, approaching the physiological limit. These effects are not captured by the National Weather Service’s polynomial extrapolation, which also underestimates the heat index by as much as 10 ∘ C (20 ∘ F) during severe heat waves.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Integrated sample-handling and mounting system for fixed-target serial synchrotron crystallography

Serial synchrotron crystallography (SSX) is enabling the efficient use of small crystals for structure–function studies of biomolecules and for drug discovery. An integrated SSX system has been developed comprising ultralow background-scatter sample holders suitable for room and cryogenic temperature crystallographic data collection, a sample-loading station and a humid `gloveless' glovebox. The sample holders incorporate thin-film supports with a variety of designs optimized for different crystal-loading challenges. These holders facilitate the dispersion of crystals and the removal of excess liquid, can be cooled at extremely high rates, generate little background scatter, allow data collection over >90° of oscillation without obstruction or the risk of generating saturating Bragg peaks, are compatible with existing infrastructure for high-throughput cryocrystallography and are reusable. The sample-loading station allows sample preparation and loading onto the support film, the application of time-varying suction for optimal removal of excess liquid, crystal repositioning and cryoprotection, and the application of sealing films for room-temperature data collection, all in a controlled-humidity environment. The humid glovebox allows microscope observation of the sample-loading station and crystallization trays while maintaining near-saturating humidities that further minimize the risks of sample dehydration and damage, and maximize working times. This integrated system addresses common problems in obtaining properly dispersed, properly hydrated and isomorphous microcrystals for fixed-orientation and oscillation data collection. Its ease of use, flexibility and optimized performance make it attractive not just for SSX but also for single-crystal and few-crystal data collection. Fundamental concepts that are important in achieving desired crystal distributions on a sample holder via time-varying suction-induced liquid flows are also discussed.

47 OTHER INSTRUMENTATION↗

DOE OSTI2013

Insights into accelerated aging of SSL luminaires

Although solid-state lighting (SSL) products are often intended to have product lifetimes of 15 years or more, the rapid change in technology has created a need for accelerated life tests (ALTs) that can be performed in the span of several months. A critical element of interpreting results from any systems-level ALT is understanding of the impact of the test environment on each component. Because of its ubiquity in electronics, the use of temperature-humidity environments as potential ALTs for SSL luminaires was investigated. Results from testing of populations of three commercial 6” downlights in environments of 85oC and 85% relative humidity (RH) and 75oC and 75% RH are reported. These test environments were found to accelerate lumen depreciation of the entire luminaire optical system, including LEDs, lenses, and reflectors. The effects of aging were found to depend strongly on both the optical materials that were used and the design of the luminaire; this shows that the lumen maintenance behavior of SSL luminaires must be addressed at the optical systems level. Temperature-Humidity ALTs can be a useful test in understand lumainaire depreciation provided that proper consideration is given to the different aging rates of various materials. Since the impact of the temperature-humidity environment varies among components of the optical system, uniform aging of all system components in a single test is difficult to achieve.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Recent Changes in U.S. Regional Heat Wave Characteristics in Observations and Reanalyses

Abstract Humidity is a key determinant of heat wave impacts, but studies investigating changes in extreme heat events have not differentiated between events characterized by high temperatures and those characterized by simultaneously elevated temperature and humidity. The authors present a framework, using air temperature (T) and equivalent temperature (TE; a measure combining temperature and specific humidity), to examine changes in local percentile-based extreme heat events characterized by high temperature (T only) and those with high temperature and humidity (T-and-TE events). Application to one observational dataset (PRISM), four reanalysis products (1981–2015), and seven U.S. regions reveals widespread changes in heat wave characteristics over the 35-yr period. Agreement among the datasets employed on several heat wave metrics suggests that many of the findings are robust. With the exception of the northern plains region, all regions experienced increases in both T-only and T-and-TE heat wave day (HWD) frequency in each of the reanalyses. In the northern plains, all datasets have negative trends in T-only HWD frequency and positive trends in T-and-TE HWD frequency. Trends in HWD frequency were generally accompanied by changes in the spatial footprint in heat wave conditions. Temperature has increased significantly during T-only HWDs in the western regions, while increases in TE during T-and-TE HWDs have occurred in the central United States and Northeast region. These findings suggest that equivalent temperature provides an alternative perspective on the evolution of regional heat wave climatology. Studies considering changes in regional heat wave impacts should carefully consider the role of atmospheric moisture.

Schoof, J. T.↗

DOE OSTI2022

Extending the Heat Index

The Heat Index is a widely used measure of apparent temperature that accounts for the effects of humidity using Steadman’s model of human thermoregulation. Steadman’s model, however, gives unphysical results when the air is too hot and humid or too cold and dry, leading to an undefined Heat Index. For example, at a relative humidity of 80%, the Heat Index is only defined for temperatures in the range of 288-304 K (59-88 degrees Fahrenheit). Here, Steadman’s thermoregulation model is extended to define the Heat Index for all combinations of temperature and humidity, allowing for an assessment of Earth’s future habitability. The extended Heat Index can be mapped onto physiological responses of an idealized human, such as heat exhaustion, heat stroke, and even heat death, providing an indication of regional health outcomes for different degrees of global warming.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Analytical Investigation of the Role of Lateral Mixing in the Evolution of Nonprecipitating Cumulus. Part II: Dissolving Stage

A minimalistic analytical model allowing analysis of the dissolving stage of nonprecipitating convective clouds is proposed. The model takes into account two mechanisms: turbulent mixing with a dry environment and cloud volume settling. The temporal changes in the spatial structure of a cloud and in its immediate environment in the course of cloud dissolving are analyzed. The comparison of the effects of a temperature increase in the course of cloud descent and mixing with dry surrounding air shows that the descent is a dominating factor determining a decrease in the liquid water content (LWC), while mixing has a stronger effect on the cloud shape. Narrowing/broadening of clouds due to lateral mixing with dry air during cloud dissolving is determined by the potential evaporation parameter proportional to the ratio of the saturation deficit in the cloud environment to LWC. An equation for cloud dissolving time is obtained. After a cloud totally dissolves, it leaves behind an area with humidity exceeding that of the environment. The main parameter determining the dissolving time is the downdraft velocity. It should exceed 50 cm s -1 in order to provide reasonable dissolving time. The turbulent intensity, LWC, and humidity of the environment air also have an impact on dissolving time: the lower the LWC and the humidity of environment air, the faster cloud dissolving is. The simple solution presented in this paper can be useful for evaluation of cloud characteristics at the dissolving stage and can be included in procedures of parameterization of cloud cover formed by nonprecipitating or slightly precipitating cumulus clouds (Cu). Values of the environment humidity and temperature, LWC at cloud top, cloud width, vertical velocity of downdraft, and the turbulent coefficient should be parameters of this parameterization.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

How Does Vertical Wind Shear Influence Updraft Characteristics and Hydrometeor Distributions in Supercell Thunderstorms?

Abstract Vertical wind shear is known to affect supercell thunderstorms by displacing updraft hydrometeor mass downshear, thereby facilitating the storms’ longevity. Shear also impacts the size of supercell updrafts, with stronger shear leading to wider, less dilute, and stronger updrafts with likely greater hydrometeor production. To more clearly define the role of shear across different vertical layers on hydrometeor concentrations and displacements relative to supercell updrafts, a suite of idealized numerical model simulations of supercells was conducted. Shear magnitudes were systematically varied across the 0–1, 1–6, and 6–12 km AGL layers, while the thermodynamic environment was held fixed. Simulations show that as shear magnitude increases, especially from 1 to 6 km, updrafts become wider and less dilute with an increase in hydrometeor loading, along with an increase in the low-level precipitation area/rate and total precipitation accumulation. Even with greater updraft hydrometeor loading amid stronger shear, updrafts are more intense in stronger shear simulations due to larger thermal buoyancy owing to wider, less dilute updraft cores. Furthermore, downshear hydrometeor displacements are larger in environments with stronger 1–6-km shear. In contrast, there is relatively less sensitivity of hydrometeor concentrations and displacements to variations in either 0–1- or 6–12-km shear. Results are consistent across free tropospheric relative humidity sensitivity simulations, which show an increase in updraft size and hydrometeor mass with increasing free tropospheric relative humidity owing to a reduction in entrainment-driven dilution for wider updrafts in moister environments. Significance Statement Rotating thunderstorms, known as supercells, are able to persist for multiple hours. One common explanation is that large changes in wind speed and/or direction with height, or shear, transport rain/hail away from supercell updrafts, supporting their maintenance. The strong shear within supercell environments, however, may also lead to greater rail/hail amounts, thereby leading to weaker storms due to this extra mass of water/ice within updrafts. Furthermore, the impact of shear across different height layers on supercell rain/hail characteristics has not been thoroughly investigated. In this study, computer simulations of supercells were conducted to determine that shear occurring between 1 and 6 km above ground level has a large impact on rain/hail distribution in supercells and that stronger shear in this layer leads to wider/stronger supercells with greater rain/hail accumulations at the surface. Additionally, some of the extra mass of water/ice is transported farther away from updrafts due to the stronger environmental storm-relative winds.

Meteorology & Atmospheric Sciences↗

DOE OSTI2023

Long-term ultrasonic monitoring of concrete affected by alkali-silica reaction

This article presents continuous monitoring results of alkali-silica reaction (ASR) development in concrete specimens for over 400 days using ultrasonic testing and expansion measurements. Eight concrete specimens with nonreactive aggregate (Control), reactive coarse aggregate, and reactive fine aggregates were cast with two reinforced confinement conditions. The specimens were conditioned in an environmental chamber with high temperature and humidity (38°C and 90% relative humidity) to accelerate the ASR development. A multichannel ultrasonic monitoring system was developed to collect ultrasonic signals automatically, and the expansions in three directions were measured periodically. Results showed that the relative velocity change could detect the ASR initiation in all reactive specimens and show a correlation with expansion in the early stage. However, these correlations are inconsistent for different ASR specimens, and the velocity change becomes less sensitive to ASR damage in the late stage (after 300 days). Irrecoverable velocity drop was observed during every chamber shutdown period, especially in specimens with higher levels of ASR damage. This phenomenon suggests that the nonlinear ultrasonic response caused by the ambient temperature variation may indicate the ASR damage.

Engineering↗

DOE OSTI2016

Investigation of the proposed solar-driven moisture phenomenon in asphalt shingle roofs

We report that unvented, sealed or conditioned attics are an energy efficiency measure to reduce the thermal load of the home and decrease the space conditioning energy consumption. This retrofit is usually done by using spray polyurethane foam underneath the roof sheathing and on the gables and soffits of an attic to provide a thermal and air barrier. Unvented attics perform well from this perspective but from a moisture perspective sometimes the unvented attic homes have high interior humidity or moisture damage to the roof. As homes become more air tight and energy efficient, an understanding of the hygrothermal dynamics of the home become more important. One proposed reason for high unvented attic humidity has been that moisture can come through the asphalt shingle roof system and increase the moisture content of the roof sheathing and attic air. This has been called solar driven moisture. Oak Ridge National Laboratory (ORNL) investigated this proposed phenomenon by examining the physical properties of a roof and the physics required for the phenomenon. Results showed that there are not favorable conditions for solar driven moisture to occur. ORNL also conducted an experimental study on an unvented attic home and compared the humidity below the roof sheathing before and after a vapor impermeable underlayment was installed. There was no statistically significant difference in absolute humidity before and after the vapor barrier was installed. Finally, the outcome of the theoretical and experimental study both suggest that solar driven moisture does not occur in any significant amount.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Spatial and temporal variations in indoor environmental conditions, human occupancy, and operational characteristics in a new hospital building

The dynamics of indoor environmental conditions, human occupancy, and operational characteristics of buildings influence human comfort and indoor environmental quality, including the survival and progression of microbial communities. A suite of continuous, long-term environmental and operational parameters were measured in ten patient rooms and two nurse stations in a new hospital building in Chicago, IL to characterize the indoor environment in which microbial samples were taken for the Hospital Microbiome Project. Measurements included environmental conditions (indoor dry-bulb temperature, relative humidity, humidity ratio, and illuminance) in the patient rooms and nurse stations; differential pressure between the patient rooms and hallways; surrogate measures for human occupancy and activity in the patient rooms using both indoor air CO₂ concentrations and infrared doorway beam-break counters; and outdoor air fractions in the heating, ventilating, and air-conditioning systems serving the sampled spaces. Measurements were made at 5-minute intervals over consecutive days for nearly one year, providing a total of ~8×10⁶ data points. Indoor temperature, illuminance, and human occupancy/activity were all weakly correlated between rooms, while relative humidity, humidity ratio, and outdoor air fractions showed strong temporal (seasonal) patterns and strong spatial correlations between rooms. Differential pressure measurements confirmed that all patient rooms were operated at neutral pressure. The patient rooms averaged about 100 combined entrances and exits per day, which suggests they were relatively lightly occupied compared to higher traffic environments (e.g., retail buildings) and more similar to lower traffic office environments. There were also clear differences in several environmental parameters before and after the hospital was occupied with patients and staff. Characterizing and understanding factors that influence these building dynamics is vital for hospital environments, where they can impact patient health and the survival and spread of healthcare associated infections.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Quantitative assessments of water-use efficiency in Temperate Eurasian Steppe along an aridity gradient

Water-use efficiency (WUE), defined as the ratio of net primary productivity (NPP) to evapotranspiration (ET), is an important indicator to represent the trade-off pattern between vegetation productivity and water consumption. Its dynamics under climate change are important to ecohydrology and ecosystem management, especially in the drylands. In this study, we modified and used a late version of Boreal Ecosystem Productivity Simulator (BEPS), to quantify the WUE in the typical dryland ecosystems, Temperate Eurasian Steppe (TES). The Aridity Index (AI) was used to specify the terrestrial water availability condition. The regional results showed that during the period of 1999–2008, the WUE has a clear decreasing trend in the spatial distribution from arid to humid areas. The highest annual average WUE was in dry and semi-humid sub-region (DSH) with 0.88 gC mm-1 and the lowest was in arid sub-region (AR) with 0.22 gC mm-1. A two-stage pattern of WUE was found in TES. That is, WUE would enhance with lower aridity stress, but decline under the humid environment. Over 65% of the region exhibited increasing WUE. This enhancement, however, could not indicate that the grasslands were getting better because the NPP even slightly decreased. It was mainly attributed to the reduction of ET over 70% of the region, which is closely related to the rainfall decrease. The results also suggested a similar negative spatial correlation between the WUE and the mean annual precipitation (MAP) at the driest and the most humid ends. This regional pattern reflected the different roles of water in regulating the terrestrial ecosystems under different aridity levels. This study could facilitate the understanding of the interactions between terrestrial carbon and water cycles, and thus contribute to a sustainable management of nature resources in the dryland ecosystems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Physical and Thermodynamic Properties of Secondary Organic Materials for Modeling (Final Technical Report)

Secondary organic material constitutes more than 50% of the submicron component of atmospheric aerosol particles. This organic material is produced by oxidation of biogenic and anthropogenic volatile organic compounds. The physicochemical properties of these aerosol particles and their variability with atmospheric conditions influence many climate-relevant endpoints, such as rates of chemical reactions, production of secondary organic material, number-diameter distributions, direct radiative forcing, and cloud condensation nuclei. The results of the project research highlight a nonlabile-to-labile transition for material representative of anthropogenic secondary organic particulate matter at a threshold humidity range. This behavior differs markedly from materials representing biogenic aerosol sources, which lack such a transition. More specifically, the mass lability of atmospheric organic particulate matter, meaning its tendency to evaporate, is an important property in the mechanisms governing the climate effects. This property is affected by both the volatility and the molecular diffusivity of the constituent organic species. Via a series of laboratory experiments, the project directly determined the mass labilities of films of secondary organic material representative of anthropogenic and biogenic organic particulate matter (PM). The evaporation rates for anthropogenic organic PM increased above a threshold relative humidity (RH) between 20% and 30%, indicating rapid partitioning above a transition RH. Below the threshold, the characteristic time for equilibration was estimated at up to 1 week for a typically sized particle. In contrast, for films representing biogenic PM, no RH threshold was observed, suggesting equilibrium partitioning is rapidly obtained for all RHs. The effective molecular diffusivity for the biogenic case was at least 1000 times greater than that of the anthropogenic case. The results allow for an improved representation of anthropogenic and biogenic secondary organic aerosol formation in climate models. The results of the project also provide new measurements on how organic aerosol particles take up water and serve as cloud condensation nuclei, thus explaining the observed complex thermodynamic behaviors using a simple thermodynamic model. The project results reconciled the discrepancy between sub-saturation hygroscopicity and super-saturation cloud condensation nuclei activity for organic aerosol particles. The key to the explanation is the phase separation between hydrophobic and hydrophilic organics and the induced surface tension lowering. The results are essential for the assessment of the aerosol indirect effect on climate. In more detail, hygroscopic growth and cloud condensation nuclei activation are key processes for accurately modeling the climate impacts of organic particulate matter. Nevertheless, the microphysical mechanisms of these processes remain unresolved. The project results focus on complex thermodynamic behaviors, including humidity-dependent hygroscopicity, diameter-dependent cloud condensation nuclei activity, and liquid-liquid phase separation in the laboratory for biogenically derived secondary organic material representative of similar atmospheric organic particulate matter. These behaviors can be explained by the non-ideal mixing of water with hydrophobic and hydrophilic organic components. The non-ideality-driven liquid-liquid phase separation further enhances water uptake and induces lowered surface tension at high relative humidity, which results in a lower barrier to cloud condensation nuclei activation. By comparison, secondary organic material representing anthropogenic sources does not exhibit complex thermodynamic behavior. The combined results highlight the importance of detailed thermodynamic representations of the hygroscopicity and cloud condensation nuclei activity in models of the Earth’s climate system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Comparing wall performance predicted from hygrothermal simulations to wall performance measured from environmental chamber experiments

To effectively mitigate prevailing perceptions of potential moisture risks in high-R wall assemblies, a comprehensive moisture durability assessment that incorporates BA team field evaluations, lab tests and simulations has been completed over the last couple years. In FY18, three stick-built walls were succumbed to typical Chicago weather in ORNL’s Heat, Air and Moisture chamber. The measured temperature, relative humidity and moisture content within these walls were compared to WUFI hygrothermal simulation results. In FY19, similar experiments and comparison to WUFI results were completed with two walls, a Structural Insulated Panel (SIP) based wall and a Concrete Masonry Unit (CMU) based wall. The following tasks were completed for these two walls: 1. Measure air permeance of each individual wall using ASTM E283 Standard Test Method. 2.Test walls in diffusion scenario as only moisture transport mechanism and compare measured transient temperature and relative humidity of select wall components to WUFI model results. Chicago summer and weather will be investigated. 3. Test walls in wetting event scenario and compare measured transient temperature and relative humidity of select wall components with Chicago summer weather to WUFI model results. 4. Test walls in diffusion/advection scenario. In addition to controlling outdoor chamber to match real outdoor weather, a pressure differential across the wall will be varied. Measured transient temperature and relative humidity of select wall components will be compared to WUFI model results. 5. Test walls in diffusion/advection with solar heating of cladding. In addition to the variables above, IR lamps will be used to heat the cladding on a diurnal cycle. Measured transient OSB MC and temperature will be compared to WUFI model results. This report documents the experimental method, results and comparison of the measured experimental hygrothermal performance of the two walls to simulations results.

42 ENGINEERING↗

DOE OSTI2020

Comparison of Extended and Accelerated VOG Tests

The reprocessing of used nuclear fuel would release volatile radionuclides into the off-gas streams of a processing plant, including ¹²⁹I. The dissolver off-gas and more dilute vessel off-gas streams (VOG) must both be targeted when mitigating ¹²⁹I environmental release because each contains some amount of iodine. Iodine-129 will likely be found as elemental iodine (I₂) and methyl iodide (CH₃I) in these off-gas streams. Reduced silver-exchanged mordenite (AgZ or Ag⁰Z) has been investigated as a potential sorbent for iodine abatement and is studied here under prototypic VOG conditions. Because of the relatively low iodine abundance and high flow rates of the VOG, total iodine concentrations are expected to be in the parts per billion range. Thus, VOG experiments need to run for extended durations at low concentrations to reach sorbent saturation. Because the sorbent will be exposed to oxidizing gas streams for extended periods of time, aging effects and sorbent degradation need to be considered when designing a sorbent-based abatement system. Three sets of experiments were performed with the aim of determining how the adsorption of iodine by AgZ is affected by differing test durations and gas compositions. The first tested the capacity of sorbent aged for 8 months under a humid air stream. The second tested differences in sorbent capacity and mass transfer zone (MTZ) length during high-concentration (1200 ppb v ) CH₃I loading in a humid nitrogen gas (N₂) stream and a humid air gas stream over 28 days. The third tested sorbent capacity and MTZ length during low concentration (< 200 ppb v ) CH₃I and I₂ loading in a humid air stream over 9 months. The results of these tests suggest that AgZ capacity drops by ~50% after 1 month of aging, by ~60% after 2 months of aging, and then does not continue to decrease significantly at up to 8 months of aging. One-month aging tests that compared N₂ and air as the gas stream diluent resulted in similar maximum loading capacities and overall loading curves, indicating that the effects of aging cannot be mitigated by avoiding air as the balance gas. The 9-month extended VOG tests did not result in clear sorbent saturation at the inlet, but it can be inferred using an assumption of a maximum capacity of 45 mg I/g AgZ. Applying this assumption, then the MTZ of CH₃I is 12.8 cm, and the MTZ of I₂ is 12.4 cm. These results are similar to previous tests. Comparisons to tests completed at Idaho National Laboratory suggest that the CH₃I MTZ may be dependent on concentration. Future work should re-evaluate the design of the VOG iodine capture system with this updated data and should seek to understand fundamental characteristics of CH₃I adsorption by AgZ, such as the effect of concentration, gas velocity, and gas composition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗