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Based on general mass continuity and diffusive transport equations, a mathematical model was developed that simulates the transport of water in Bacon and alkaline-matrix fuel cells. The derived model was validated by using it to analytically reproduce various Bacon and matrix-cell experimental water transport transients.
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Liquid-phase heterogeneous catalysis using zeolites is important for biomass conversion to fuels and chemicals. There is a substantial body of work on gas-phase sorption in zeolites with different topologies; however, studies investigating the diffusion of complex molecules in liquid medium into zeolitic nanopores are scarce. Here, we present a molecular dynamics study to understand the sorption and diffusion of aqueous β-d-glucose into β-zeolite silicate at T = 395 K and P = 1 bar. Through 2-μs-long molecular dynamics trajectories, we reveal the role of the solvent, the kinetics of the pore filling, and the effect of the water model on these properties. We find that the glucose and water loading is a function of the initial glucose concentration. Although the glucose concentration increases monotonically with the initial glucose concentration, the water loading exhibits a nonmonotonic behavior. At the highest initial concentration (~20 wt %), we find that the equilibrium loading of glucose is approximately five molecules per unit cell and displays a weak dependence on the water model. Glucose molecules follow a single-file diffusion in the nanopores due to confinement. Here, the dynamics of glucose and water molecules slows significantly at the interface. The average residence time for glucose molecules is an order of magnitude larger than that in the bulk solution, while it is about twice as large for the water molecules. Our simulations reveal critical molecular details of the glucose molecule’s local environment inside the zeolite pore relevant to catalytic conversion of biomass to valuable chemicals.
Water recovery technologies on the International Space Station (ISS) are designed and optimized for microgravity environments, thus creating a need for innovative systems optimized for mission operations in the presence of gravity. Alternative water recovery technologies under research by the Life Support Systems division were compiled into a series of Partial Gravity Water Recovery System (PGWRS) architectures. Individual unit processes were modeled via fundamental physical-chemical process equations to simulate their method of treatment, including chemical or biological oxidation, flash evaporation, filtration, or a combination of adsorption and ion exchange processes. Dimension and sizing data were then utilized to scale each architecture. Modeling was completed on an assortment of architectures assuming three scenarios in which treatment methods could take advantage of partial gravity: a short-duration mission with a temporary surface habitat, a longer duration mission with a more permanent habitat, and a long duration mission without resupply. Total system mass was estimated to quantitatively compare architectures within scenarios, but qualitative observations were also made regarding system robustness, flexibility, and capacity to meet more stringent demands. Technologies that traded most favorably between the scenarios were those that included a pre-oxidation stage to minimize mass loading to downstream absorption and ion exchange beds, exploited gravity in liquid-vapor separation processes, and reconstituted wastewater components into recyclable material streams.
Water recovery technologies on the International Space Station (ISS) are designed and optimized for microgravity environments, thus creating a need for innovative systems optimized for mission operations in the presence of gravity. Alternative water recovery technologies under research by the Life Support Systems division were compiled into a series of Partial Gravity Water Recovery System (PGWRS) architectures. Individual unit processes were modeled via fundamental physical-chemical process equations to simulate their method of treatment, including chemical or biological oxidation, flash evaporation, filtration, or a combination of adsorption and ion exchange processes. Dimension and sizing data were then utilized to scale each architecture. Modeling was completed on an assortment of architectures assuming three scenarios in which treatment methods could take advantage of partial gravity: a short-duration mission with a temporary surface habitat, a longer duration mission with a more permanent habitat, and a long duration mission without resupply. Total system mass was estimated to quantitatively compare architectures within scenarios, but qualitative observations were also made regarding system robustness, flexibility, and capacity to meet more stringent demands. Technologies that traded most favorably between the scenarios were those that included a pre-oxidation stage to minimize mass loading to downstream absorption and ion exchange beds, exploited gravity in liquid-vapor separation processes, and reconstituted wastewater components into recyclable material streams.
Water recovery technologies on the International Space Station (ISS) are designed and optimized for microgravity environments, thus creating a need for innovative systems optimized for mission operations in the presence of gravity. Alternative water recovery technologies under research by the Life Support Systems division were compiled into a series of Partial Gravity Water Recovery System (PGWRS) architectures. Individual unit processes were modeled via fundamental physical-chemical process equations to simulate their method of treatment, including chemical or biological oxidation, flash evaporation, filtration, or adsorption and ion exchange. Dimension and sizing data were then utilized to scale each architecture. Modeling was completed on an assortment of architectures assuming three scenarios in which treatment methods could take advantage of partial gravity: a short-duration mission with a temporary surface habitat, a longer duration mission with a more permanent habitat, and a long duration mission with minimal resupply. Total system mass was estimated to quantitatively compare architectures within scenarios, but qualitative observations were also made regarding system robustness, flexibility, and capacity to meet more stringent demands. Technologies that traded most favorably between the scenarios were those that included a pre-oxidation stage to minimize mass loading to downstream absorption and ion exchange beds, exploited gravity in liquid-vapor separation processes, and reconstituted wastewater components into recyclable material streams.
Water recovery technologies on the International Space Station (ISS) are designed and optimized for microgravity environments, thus creating a need for innovative systems optimized for mission operations in the presence of gravity. Alternative water recovery technologies under research by the Life Support Systems division were compiled into a series of Partial Gravity Water Recovery System (PGWRS) architectures. Individual unit processes were modeled via fundamental physical-chemical process equations to simulate their method of treatment, including chemical or biological oxidation, flash evaporation, filtration, or adsorption and ion exchange. Dimension and sizing data were then utilized to scale each architecture. Modeling was completed on an assortment of architectures assuming three scenarios in which treatment methods could take advantage of partial gravity: a short-duration mission with a temporary surface habitat, a longer duration mission with a more permanent habitat, and a long duration mission with minimal resupply. Total system mass was estimated to quantitatively compare architectures within scenarios, but qualitative observations were also made regarding system robustness, flexibility, and capacity to meet more stringent demands. Technologies that traded most favorably between the scenarios were those that included a pre-oxidation stage to minimize mass loading to downstream absorption and ion exchange beds, exploited gravity in liquid-vapor separation processes, and reconstituted wastewater components into recyclable material streams.
The IUE observations of Comet Bradfield (1979 l) made 10 January 1980 to 3 March 1980 permit a detailed study of water production for this comet. Brightness measurements are presented for all three water dissociation products, H, O, and OH, and comparisons are made with model predictions. The heliocentric variation of the water production rate was derived.
A prototype multiparameter data acquisition network, installed and operated by the U.S. Geological Survey is a viable approach for obtaining near real-time data needed to solve hydrologic problems confronting nearly 2.5 million residents of south Florida. Selected water quantity and quality data obtained from ground stations are transmitted for relay via ERTS-1 to NASA receiving stations in virtual real time. This data relay system has been very reliable and, by coupling the ground information with ERTS imagery, a modeling technique is available for water resource management in south Florida. An ecological model has been designed for the Shark River Slough in Everglades National Park.
ERTS-1 is described as a near real time, data relay system for south Florida water quantity and quality monitoring. An ecological model of the Shark River Slough in Everglades National Park is also presented.
A hydrostatic global weather prediction model based on an icosahedral horizontal grid and a hybrid terrain following/ isentropic vertical coordinate is described. The model is an extension to three spatial dimensions of a previously developed, icosahedral, shallow-water model featuring user-selectable horizontal resolution and employing indirect addressing techniques. The vertical grid is adaptive to maximize the portion of the atmosphere mapped into the isentropic coordinate subdomain. The model, best described as a stacked shallow-water model, is being tested extensively on real-time medium-range forecasts to ready it for possible inclusion in operational multimodel ensembles for medium-range to seasonal prediction.
The theory of geostrophic adjustment and its application to the dynamics of the high latitude thermosphere have been discussed in previous papers based on a linearized treatment of the fluid dynamical equations. However, a linearized treatment is only valid for small Rossby numbers given by Ro = V/fL, where V is the wind speed, f is the local value of the Coriolis parameter, and L is a characteristic horizontal scale for the flow. For typical values in the auroral zone, the approximation is not reasonable for wind speeds greater than 25 m/s or so. A shallow-water (one layer) model was developed that includes the spherical geometry and full nonlinear dynamics in the momentum equations in order to isolate the effects of the nonlinearities on the adjustment process. A belt of accelerated winds between 60 deg and 70 deg latitude was used as the initial condition. The adjustment process was found to proceed as expected from the linear formulation, but that an asymmetry between the response for an eastward and westward flow results from the nonlineawr curvature (centrifugal) terms. In general, the amplitude of an eastward flowing wind will be less after adjustment than a westward wind. For instance, if the initial wind velocity is 300 m/s, the linearized theory predicts a final wind speed of 240 m/s, regardless of the flow direction. However, the nonlinear curvature terms modify the response and produce a final wind speed of only 200 m/s for an initial eastward wind and a final wind speed of almost 300 m/s for an initial westward flow direction. Also, less gravity wave energy is produced by the adjustment of the westward flow than by the adjustment of the eastward flow. The implications are that the response of the thermosphere should be significantly different on the dawn and dusk sides of the auroral oval. Larger flow velocities would be expected on the dusk side since the plasma will accelerate the flow in a westward direction in that sector.
Remotely sensed data were collected to demonstrate the feasibility of applying the results to water resource problems. Photographs of the Wolf Creek watershed in southwestern Colorado were collected over a one year period. Cloud top temperatures were measured using a radiometer. Thermal imagery of the Wolf Creek Pass area was obtained during one pre-dawn flight. Remote sensing studies of water resource problems for user agencies were also conducted. The results indicated that: (1) remote sensing techniques could be used to assist in the solution of water resource problems; (2) photogrammetric determination of snow depths is feasible; (3) changes in turbidity or suspended material concentration can be observed; and (4) surface turbulence can be related to bed scour; and (5) thermal effluents into rivers can be monitored.
Protection of the environment and natural resources at the Kennedy Space Center (KSC) is of great concern. The potential for surface and ground water quality problems resulting from non-point sources of pollution was examined using models. Since spatial variation of parameters required was important, geographic information systems (GIS) and their data were used. The potential for groundwater contamination was examined using the SEEPAGE (System for Early Evaluation of the Pollution Potential of Agricultural Groundwater Environments) model. A watershed near the VAB was selected to examine potential for surface water pollution and erosion using the AGNPS (Agricultural Non-Point Source Pollution) model.
Molecular simulations have provided valuable insight into the microscopic mechanisms underlying homogeneous ice nucleation. While empirical models have been used extensively to study this phenomenon, simulations based on first-principles calculations have so far proven prohibitively expensive. Here, we circumvent this difficulty by using an efficient machine-learning model trained on density-functional theory energies and forces. We compute nucleation rates at atmospheric pressure, over a broad range of supercoolings, using the seeding technique and systems of up to hundreds of thousands of atoms simulated with ab initio accuracy. The key quantity provided by the seeding technique is the size of the critical cluster (i.e., a size such that the cluster has equal probabilities of growing or melting at the given supersaturation), which is used together with the equations of classical nucleation theory to compute nucleation rates. We find that nucleation rates for our model at moderate supercoolings are in good agreement with experimental measurements within the error of our calculation. We also study the impact of properties such as the thermodynamic driving force, interfacial free energy, and stacking disorder on the calculated rates.
Proton exchange membrane fuel cells, consuming hydrogen and oxygen to generate clean electricity and water, suffer acute liquid water challenges. Accurate liquid water modelling is inherently challenging due to the multi-phase, multi-component, reactive dynamics within multi-scale, multi-layered porous media. In addition, currently inadequate imaging and modelling capabilities are limiting simulations to small areas (<1 mm 2 ) or simplified architectures. Herein, an advancement in water modelling is achieved using X-ray micro-computed tomography, deep learned super-resolution, multi-label segmentation, and direct multi-phase simulation. The resulting image is the most resolved domain (16 mm 2 with 700 nm voxel resolution) and the largest direct multi-phase flow simulation of a fuel cell. This generalisable approach unveils multi-scale water clustering and transport mechanisms over large dry and flooded areas in the gas diffusion layer and flow fields, paving the way for next generation proton exchange membrane fuel cells with optimised structures and wettabilities.
Extreme precipitation events often produce severe flooding and pose significant threats to our society. However, their subseasonal impacts on the terrestrial and atmospheric systems are not well understood. Here, we use a new land–atmosphere coupled water tracer tool embedded in the Weather Research and Forecasting (WRF) Model to “tag” precipitation produced by a series of extreme mesoscale convective systems (MCSs) in May 2015 over the southern Great Plains to reveal their contributions to different terrestrial water storages and moisture recycling during May–July. During May, we find that precipitation from earlier MCSs can contribute to 20%–50% of total evapotranspiration (ET) in later May and contribute ∼10% of local precipitation for later MCSs. After May, the water “tagged” to preceding May MCS events has the most active contribution to moisture recycling during the first 5 days in June, but this contribution diminishes quickly afterward. Both periods indicate a quick turnover of tagged precipitation, which may be representative of the southern Great Plains region. The quick turnover is closely associated with the direct evaporation from the soil surface due to the predominant shrubland and grassland coverage over this region. Over some forested areas, however, the tracer-ET flux is dominated by transpiration that stably supplies a small fraction (<1%) of moisture to the atmosphere throughout June and July. In conclusion, the tracer-contributed plume (through evaporation and transpiration) in atmospheric moisture can extend 500–700 km downstream between May and July, highlighting the far-reaching contribution to moisture recycling and precipitation from the tagged MCS events in the southern Great Plains.
National Water Model (NWM) implemented operationally in August 2016 to improve hydrological prediction (OWP, 2017). (1) Four operational configurations (2) Only covers contiguous United States (US). NWM is instantiation of Weather Research and Forecasting model hydrological extension package (WRF-Hydro)(Gochis et al., 2013) coupled with Noah Land Surface Model with Multi-Parameterization options (Noah-MP)(Niu et al., 2011). WRF-Hydro is extensible, high-resolution hydrologic routing and streamflow modeling framework, coupling column land surface, terrain routing, and channel routing modules (NCAR, 2017). This project uses experimental version of WRF-Hydro in Alaska mimicking the NWM to: (1) Identify modeling challenges for NWM development in Alaska (2) Assess WRF-Hydro and NWM ability to represent unique hydrological processes of arctic regions and accurately predict high and low flow events (3) Examine impacts of assimilating Surface Water Ocean Topography (SWOT) (Biancamaria et al., 2016) observations to improve model initialization.