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At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multimodel simulation of vertical gas transfer in a temperate lake

In recent decades, several lake models of varying complexity have been developed and incorporated in numerical weather prediction systems and climate models. To foster enhanced forecasting ability and verification, improvement of these lake models remains essential. This especially applies to the limited simulation capabilities of biogeochemical processes in lakes and greenhouse gas exchanges with the atmosphere. Here we present multi-model simulations of physical variables and dissolved gas dynamics in a temperate lake (Harp Lake, Canada). The five models (ALBM, FLake, LAKE, LAKEoneD, MTCR-1) considered within this most recent round of the Lake Model Intercomparison Project (LakeMIP) all captured the seasonal temperature variability well. In contrast, none of the models is able to reproduce the exact dates of ice-cover and ice-off, leading to considerable errors in the simulation of eddy diffusivity around those dates.We then conducted an additional modeling experiment with a diffusing passive tracer to isolate the effect of the eddy diffusivity on gas concentration. Remarkably, sophisticated k -" models do not demonstrate a significant difference in the vertical diffusion of a passive tracer compared to models with much simpler turbulence closures. All models simulate less intensive spring overturn compared to autumn. Reduced mixing in the models consequently leads to the accumulation of the passive tracer distribution in the water column. The lake models with a comprehensive biogeochemical module, such as ALBM and LAKE, predict dissolved oxygen dynamics adequate to the observed data. However, for the surface carbon dioxide concentration the correlation between modeled (ALBM, LAKE) and observed data is weak (~0.3). Overall our results indicate the need to improve the representation of physical and biogeochemical processes in lake models, thereby contributing to enhanced weather prediction and climate projection capabilities.

Guseva, Sofya↗
NASA NTRS1985

Cellular interface morphologies in directional solidification. III - The effects of heat transfer and solid diffusivity

The shape and stability of two-dimensional finite-amplitude cellular interfaces arising during directional solidification are compared for several solidification models that account differently for latent heat released at the interface, unequal thermal conductivities of melt and solid, and solute diffusivity in the solid. Finite-element analysis and computer-implemented perturbation methods are used to analyze the families of steadily growing cellular forms that evolve from the planar state. In all models a secondary bifurcation between different families of finite-amplitude cells exists that halves the spatial wavelength of the stable interface. The quantitative location of this transition is very dependent on the details of the model. Large amounts of solute diffusion in the solid retard the growth of large-amplitude cells.

Ungar, Lyle H.↗
NASA NTRS1992

Tidal evolution of globular clusters. II - The effects of Galactic tidal field and diffusion

The tidal evolution of globular clusters subject to various degrees of the internal diffusion process is investigated. In cases of negligible diffusion, clusters are found to be tidally truncated to the theoretical tidal radius at perigalacticon. There is no apparent orbital phase dependence of the tidal radius for clusters with eccentric orbits. In clusters with moderately short two-body relaxation time scales, diffusion processes significantly modify the structure of the outer regions in such a way that the limiting radius may be comparable to the tidal radius at apogalacticon. The Galactical tidal torque induces isotropy in the velocity dispersion of the outer regions of the cluster. For relaxed clusters, the velocity dispersion may be isotropic in the core, anisotropic in the envelope and isotropic near the limiting radius. Disk shocking is also very efficient for isotropizing the orbits of stars in the outer cluster regions. Stars with direct orbits are less stable, so that prolonged tidal interaction can lead to apparent retrograde rotation in the outer regions of the cluster.

Oh, K. S.↗
NASA NTRS1991

Stray light effects on calibrations using a solar diffuser

The sun is the intended source of radiation for a solar diffuser for the calibration of spacecraft radiometric sensors. Two unwanted sources have also been identified: (1) solar radiation reflected from the earth and scattered by the atmosphere, and (2) solar radiation reflected from surrounding spacecraft structures. This paper describes the determination of the stray radiation incident on the diffuser for the High Resolution Imaging Spectrometer (HIRIS). Finally, the optimization of the calibration geometry is considered.

Palmer, James M.↗
NASA NTRS1997

Numerical Modeling of HgCdTe Solidification: Effects of Phase Diagram, Double-Diffusion Convection and Microgravity Level

Melt convection, along with species diffusion and segregation on the solidification interface are the primary factors responsible for species redistribution during HgCdTe crystal growth from the melt. As no direct information about convection velocity is available, numerical modeling is a logical approach to estimate convection. Furthermore influence of microgravity level, double-diffusion and material properties should be taken into account. In the present study, HgCdTe is considered as a binary alloy with melting temperature available from a phase diagram. The numerical model of convection and solidification of binary alloy is based on the general equations of heat and mass transfer in two-dimensional region. Mathematical modeling of binary alloy solidification is still a challenging numericial problem. A Rigorous mathematical approach to this problem is available only when convection is not considered at all. The proposed numerical model was developed using the finite element code FIDAP. In the present study, the numerical model is used to consider thermal, solutal convection and a double diffusion source of mass transport.

Bune, Andris V.↗
NASA NTRS2003

Buoyancy Effects in Fully-Modulated, Turbulent Diffusion Flames

Pulsed combustion appears to have the potential to provide for rapid fuel/air mixing, compact and economical combustors, and reduced exhaust emissions. The objective of this experiment (PuFF, for Pulsed-Fully Flames) is to increase the fundamental understanding of the fuel/air mixing and combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. In this research the fuel jet is fully-modulated (i.e., completely shut off between pulses) by an externally controlled valve system. This gives rise to drastic modification of the combustion and flow characteristics of flames, leading to enhanced fuel/air mixing compared to acoustically excited or partially-modulated jets. Normal-gravity experiments suggest that the fully-modulated technique also has the potential for producing turbulent jet flames significantly more compact than steady flames with no increase in exhaust emissions. The technique also simplifies the combustion process by avoiding the acoustic forcing generally present in pulsed combustors. Fundamental issues addressed in this experiment include the impact of buoyancy on the structure and flame length, temperatures, radiation, and emissions of fully-modulated flames.

Hermanson, J. C.↗
NASA NTRS2004

Buoyancy Effects in Strongly-pulsed, Turbulent Diffusion Flames

The objective of this experiment is to better understand the combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. The fuel jet is fully-modulated (i.e., completely shut off between pulses) by an externally controlled valve system leading to enhanced fuel/air mixing compared to acoustically excited or partially-modulated jets. Experiments are conducted both in laboratories at UW and WPI and in the GRC 2.2s Drop Tower. A single fuel nozzle with diameter d = 2 mm is centered in a combustor 20 x 20 cm in cross section and 67 cm in height. The gaseous fuel flow (ethylene or a 50/50 ethylene/nitrogen mixture by volume) is fully-modulated by a fast-response solenoid valve with injection times from tau = 4 to tau = 300 ms. The nominal Reynolds number based on the fuel velocity during injection, U(sub jet), is 5,000. A slow oxidizer co-flow properly ventilates the flame and an electrically heated wire loop serves as a continuous ignition source. Diagnostic techniques include video imaging, fine-wire thermocouples and thermopile radiometers, and gas sampling and standard emissions instruments (the last in the laboratory only).

Hermanson, J. C.↗
NASA NTRS2004

Buoyancy Effects in Strongly-Pulsed, Turbulent Diffusion Flames

The objective of this experiment is to better understand the combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. The fuel jet is fully-modulated (i.e., completely shut off between pulses) by an externally controlled valve system leading to enhanced fuel/air mixing compared to acoustically excited or partially-modulated jets. Experiments are conducted both in laboratories at UW and WPI and in the GRC 2.2s Drop Tower. A single fuel nozzle with diameter d = 2 mm is centered in a combustor 20 20 cm in cross section and 67 cm in height. The gaseous fuel flow (ethylene or a 50/50 ethylene/nitrogen mixture by volume) is fully-modulated by a fast-response solenoid valve with injection times from tau = 4 to tau = 300 ms. The nominal Reynolds number based on the fuel velocity during injection, U(sub jet), is 5,000. A slow oxidizer co-flow properly ventilates the flame and an electrically heated wire loop serves as a continuous ignition source. Diagnostic techniques include video imaging, fine-wire thermocouples and thermopile radiometers, and gas sampling and standard emissions instruments (the last in the laboratory only).

Hermanson, J. C.↗
NASA NTRS1975

Effect of wall edge suction on the performance of a short annular dump diffuser with exit passage flow resistance

The effect of wall edge suction on the performance of a short annular dump diffuser having a perforated plate flow resistance device in the exit passage was evaluated. Testing was conducted with air at near ambient pressure and temperature at inlet Mach numbers of 0.18 and 0.27 with suction rates up to 13.5 percent. Results show that pressure recovery downstream of the perforated plate was improved significantly by suction. Optimum performance was obtained with the flow resistance plate located at one inlet passage height downstream of the dump plane.

Juhasz, A. J.↗
DOE OSTI2019

Beyond the effectiveness factor: Multi-step reactions with intraparticle diffusion limitations

Though common in many industrial chemical processes, multi-step reactions occurring within porous catalyst particles provide significant challenges to previously established modeling frameworks. In this work, a system of reaction-diffusion equations is solved analytically via eigenanalysis. The intraparticle concentration profiles are integrated over the particle volume to obtain effectiveness factors for each reacting species, referred to herein as a multi-step effectiveness vector (MEV). The MEV solution is tested for the case of uniform flow past a stationary catalyst particle with a state-of-the-art, multi-step reaction scheme for fluid catalytic cracking (FCC). Outputs from particle-resolved direct numerical simulation (DNS) are compared to outputs from ordinary differentials with effective reaction closures coming from the MEV solution, the classic single-step effectiveness factor (SEF) (R. Aris, 'The mathematical theory of diffusion and reaction in permeable catalysts: The theory of the steady state,' Oxford University Press, 1975), and utilizing the intrinsic rates as-is. When compared to DNS, the MEV solution shows excellent agreement for the formation of all species and quantitatively captures the intraparticle concentration profiles. By contrast, the intrinsic treatment shows an over-prediction for product formation and the SEF treatment shows mixed levels of accuracy that depend upon the reaction coupling. Specifically, the SEF treatment accurately characterizes product formation if the kinetic scheme is weakly coupled but shows significant departure if stronger coupling is present. The computational cost associated with the MEV solution is associated with eigendecomposition of the Thiele matrix, an N x N matrix where N is the number of reacting components. Overall, the method is shown to be relatively easy to implement and may significantly enhance the fidelity of chemical reactor simulations that employ multi-step reaction schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Directional and Spectral Irradiance in Ocean Models: Effects on Simulated Global Phytoplankton, Nutrients, and Primary Production

The importance of including directional and spectral light in simulations of ocean radiative transfer was investigated using a coupled biogeochemical-circulation-radiative model of the global oceans. The effort focused on phytoplankton abundances, nutrient concentrations and vertically-integrated net primary production. The importance was approached by sequentially removing directional (i.e., direct vs. diffuse) and spectral irradiance and comparing results of the above variables to a fully directionally and spectrally-resolved model. In each case the total irradiance was kept constant; it was only the pathways and spectral nature that were changed. Assuming all irradiance was diffuse had negligible effect on global ocean primary production. Global nitrate and total chlorophyll concentrations declined by about 20% each. The largest changes occurred in the tropics and sub-tropics rather than the high latitudes, where most of the irradiance is already diffuse. Disregarding spectral irradiance had effects that depended upon the choice of attenuation wavelength. The wavelength closest to the spectrally-resolved model, 500 nm, produced lower nitrate (19%) and chlorophyll (8%) and higher primary production (2%) than the spectral model. Phytoplankton relative abundances were very sensitive to the choice of non-spectral wavelength transmittance. The combined effects of neglecting both directional and spectral irradiance exacerbated the differences, despite using attenuation at 500 nm. Global nitrate decreased 33% and chlorophyll decreased 24%. Changes in phytoplankton community structure were considerable, representing a change from chlorophytes to cyanobacteria and coccolithophores. This suggested a shift in community function, from light-limitation to nutrient limitation: lower demands for nutrients from cyanobacteria and coccolithophores favored them over the more nutrient-demanding chlorophytes. Although diatoms have the highest nutrient demands in the model, their relative abundances were generally unaffected because they only prosper in nutrient-rich regions, such as the high latitudes and upwelling regions, which showed the fewest effects from the changes in radiative simulations. The results showed that including directional and spectral irradiance when simulating the ocean light field can be important for ocean biology, but the magnitude varies with variables and regions. The quantitative results are intended to assist ocean modelers when considering improved irradiance representations relative to other processes or variables associated with the issues of interest.

Phytoplankton↗
DOE OSTI2018

Probing Substrate Diffusion in Interstitial MOF Chemistry with Kinetic Isotope Effects

Metal–organic frameworks (MOFs) have garnered substantial interest as platforms for site-isolated catalysis. Efficient diffusion of small-molecule substrates to interstitial lattice-confined catalyst sites is critical to leveraging unique opportunities of these materials as catalysts. Understanding the rates of substrate diffusion in MOFs is challenging, and few in situ chemical tools are available to evaluate substrate diffusion during interstitial MOF chemistry. Herein, we demonstrate nitrogen atom transfer (NAT) from a lattice-confined Ru 2 nitride to toluene to generate benzylamine. We use the comparison of the intramolecular deuterium kinetic isotope effect (KIE), determined for amination of a partially deuterated substrate, with the intermolecular KIE, determined by competitive amination of a mixture of perdeuterated and undeuterated substrates, to establish the relative rates of substrate diffusion and interstitial chemistry. We anticipate that the developed KIE-based experiments will contribute to the development of porous materials for group-transfer catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗