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At least 721 records · Page 40

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NASA NTRS2011

Generalized Fluid System Simulation Program, Version 5.0-Educational

The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the point, drag and click method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids and 21 different resistance/source options are provided for modeling momentum sources or sinks in the branches. This Technical Memorandum illustrates the application and verification of the code through 12 demonstrated example problems.

Majumdar, A. K.↗

NASA NTRS2011

Generalized Fluid System Simulation Program, Version 5.0-Educational. Supplemental Information for NASA/TM-2011-216470

Majumdar, A. K.↗

NASA NTRS2013

Generalized Fluid System Simulation Program, Version 6.0

The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependant flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors and external body forces such as gravity and centrifugal. The thermo-fluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the 'point, drag, and click' method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids, and 24 different resistance/source options are provided for modeling momentum sources or sinks in the branches. This Technical Memorandum illustrates the application and verification of the code through 25 demonstrated example problems.

Majumdar, A. K.↗

NASA NTRS2015

Generalized Fluid System Simulation Program (GFSSP) - Version 6

The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors, flow control valves and external body forces such as gravity and centrifugal. The thermo-fluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the 'point, drag, and click' method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids, and 24 different resistance/source options are provided for modeling momentum sources or sinks in the branches. Users can introduce new physics, non-linear and time-dependent boundary conditions through user-subroutine.

Majumdar, Alok↗

DOE OSTI2013

Progress and investigation on lattice Boltzmann modeling of multiple immiscible fluids or components with variable density and viscosity ratios

Lattice Boltzmann models for simulating multiphase flows are relatively new, and much work remains to be done to demonstrate their ability to solve fundamental test cases before they are considered for engineering problems. From this perspective, a hydrodynamic lattice Boltzmann model for simulating immiscible multiphase flows with high density and high viscosity ratios, up to O(1000) and O(100) respectively, is presented and validated against analytical solutions. The method is based on a two phase flow model with operators extended to handle N immiscible fluids. The current approach is O(N) in computational complexity for the number of different gradient approximations. This is a major improvement, considering the O(N{sup 2}) complexity found in most works. A sequence of systematic and essential tests have been conducted to establish milestones that need to be met by the proposed approach (as well as by other methods). First, the method is validated qualitatively by demonstrating its ability to address the spinodal decomposition of immiscible fluids. Second, the model is quantitatively verified for the case of multilayered planar interfaces. Third, the multiphase Laplace law is studied for the case of three fluids. Fourth, a quality index is developed for the three-phase Laplace–Young’s law, which concerns the position of the interfaces between the fluids resulting from the different surface tensions. The current model is compatible with the analytical solution, and is shown to be first order accurate in terms of this quality index. Finally, the multilayered Couette’s flow is studied. In this study, numerical results can recover the analytical solutions for all the selected test cases, as long as unit density ratios are considered. For high density and high viscosity ratios, the analytical solution is recovered for all tests, except that of the multilayered Couette’s flow. Numerical results and a discussion are presented for this unsuccessful test case. It is believed that other LB models may have the same problem in addressing the simulation of multiphase flows with variable density ratios.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Creation of the NaSCoRD Database

This report was written as part of a United States Department of Energy (DOE), Office of Nuclear Energy, Advanced Reactor Technologies program funded project to re-create the capabilities of the legacy Centralized Reliability Database Organization (CREDO) database. The CREDO database provided a record of component design and performance documentation across various systems that used sodium as a working fluid. Regaining this capability will allow the DOE complex and the domestic sodium reactor industry to better understand how previous systems were designed and built for use in improving the design and operations of future loops. The contents of this report include: overview of the current state of domestic sodium reliability databases; summary of the ongoing effort to improve, understand, and process the CREDO information; summary of the initial efforts to develop a unified sodium reliability database called the Sodium System Component Reliability Database (NaSCoRD); and explain both how potential users can access the domestic sodium reliability databases and the type of information that can be accessed from these databases.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2022

Detailed biomass fast pyrolysis kinetics integrated to computational fluid dynamic (CFD) and discrete element modeling framework: Predicting product yields at the bench-scale

Fast pyrolysis is an intricate process due to the variability and anisotropy of lignocellulosic biomass and the complicated chemistry and physics during conversion in a bubbling fluidized bed reactor (BFBR). The complexity of biomass fast pyrolysis lends itself well to computational fluid dynamics (CFD) and discrete element (DEM) analysis, which promises to reduce experimental time and its associated cost. This work investigated switchgrass fast pyrolysis simulated by computational fluid dynamics coupled with a discrete element method to track individual reacting biomass particles throughout a bench-scale BFBR reactor. We accounted for the fast pyrolysis chemistry through a comprehensive reaction scheme with secondary cracking reactions. We performed a three-step reduction for secondary cracking reactions to convert the full cracking scheme into a reduced scheme easily incorporated into our model. We assessed the impact of operational conditions on the steady-state yields of liquid bio-oil, non-condensable gases (NCG), at 550 °C over a range of fluidization numbers (2 – 6 Umf), reported as a ratio to the minimum fluidization velocity (Umf). At steady-state, the volatile bio-oil yield had a range of 49.3–50.4 wt%. Levoglucosan was the primary volatile component present with 21 wt% of the bio-oil while water was the second largest with 20 wt%. The reduction of the secondary reaction schemes did not appreciably affect the overall yields of switchgrass pyrolysis compared to the full secondary scheme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

A three-dimensional model of terrain-induced updrafts for movement ecology studies

Abstract Background Spatially explicit simulation models of animal movements through the atmosphere necessarily require a representation of the spatial and temporal variation of atmospheric conditions. In particular, for movements of soaring birds that rely extensively on vertical updrafts to avoid flapping flight, accurate and reliable estimation of the vertical component of wind is critical. The interaction between wind and complex terrain shapes both the horizontal and vertical wind fields, highlighting the need to model the coupling between local terrain features and atmospheric conditions at scales relevant to animal movement. Methods In this work, we propose a new empirical model for estimating the orographic updraft field. The model is developed using computational fluid dynamics simulations of canonical atmospheric conditions over moderately complex terrain. To isolate buoyancy and thermal effects, and focus on terrain-induced effects, we use only simulations of a neutrally stratified atmosphere to develop the model. The model, which we name Engineering Vertical Velocity Estimator (EVVE), is simple to implement and is a function of the underlying terrain elevation map, the desired height above ground level (AGL), and wind conditions at a reference height (80 m). We validate the model with data from the Alaiz mountain (Spain) field campaign. Results Compared to observations, the proposed improved model estimates the updrafts at 120 m AGL with a mean error of 0.11 m/s ( $$\sigma =0.28$$ σ = 0.28 m/s), compared to 0.85 m/s ( $$\sigma =0.58$$ σ = 0.58 m/s) for its baseline. For typical land-based wind turbine hub heights of 80 m AGL, the proposed model has a mean error of 0.04 m/s ( $$\sigma =0.25$$ σ = 0.25 m/s), compared to baseline 0.54 m/s ( $$\sigma =0.45$$ σ = 0.45 m/s) estimations. We illustrate an application of the model in movement ecology by comparing simulated tracks and presence maps of golden eagles ( Aquila chrysaetos ) moving across two distinct landscapes. The tracks and presence maps are obtained using a simple heuristic-based movement model, with the updraft field given by the proposed model and a wind vector-based estimation approach that is currently in wide use in movement ecology studies of raptors and other soaring birds. Conclusions We highlight that movement model results can be sensitive to the underlying orographic updraft model, especially in studies of fine-scale movements in regions of complex topography. We suggest adopting the proposed model rather than the wind vector estimation method for studies of soaring bird movements.

17 WIND ENERGY↗

DOE OSTI2015

Fluid flow structure around the mixer in a reactor with mechanical mixing

Fluid flow structure around the mixer in a cylindrical reactor with mechanical mixing is studied and numerical results are presented in this article. The model area is complex because of the presence of convex corners of the mixer in the fluid flow. Proper boundary conditions for the vorticity calculated on the base of the stream function values near solid boundaries of the examined area are presented. The boundary value problem of motion of swirling incompressible viscous fluid in a vertical tank reactor with a mixer is solved numerically. The calculations are made by a computer code, written in MATLAB. The complex structure of the flow around the mixing disk is described and commented.

42 ENGINEERING↗

DOE OSTI2025

Extended molecular eigenmodes treatment of dipole–dipole NMR relaxation in real fluids

Traditional models of NMR relaxation fail to account for the complex, multi-exponential behavior of the autocorrelation function in realistic systems characterized by soft-interactions and molecules that are chemically and physically complex. Here, in this study, we describe the relative diffusion of the spin dipoles by means of a Fokker–Planck equation that includes an interaction potential of mean force to account for the response of the physical/chemical environment around the dipoles. By numerically solving the Fokker–Planck equation for the diffusion propagator, we estimate dipole–dipole NMR relaxation for like- and unlike-spin systems via its eigenmode solution. We test the model against molecular simulations of diffusing dipoles with harmonic potentials and also validate using experimental longitudinal relaxation data from real systems, including Gd(III)–aqua and Gd(III)–DO3A–butrol complexes, the latter being an important MRI contrast agent. Using this novel approach, we predict both the inner- and outer-shell contributions to the relaxivity rates with excellent accuracy at frequencies relevant to MRI. We also show that, under the appropriate assumptions, our framework naturally recovers the Bloembergen–Purcell–Pound, the Solomon–Bloembergen–Morgan, and the Hwang–Freed models. Our implementation is general and publicly available for application to a broad range of systems.

Pinheiro dos Santos, Thiago J. [Rice Univ., Housto↗

NASA NTRS1991

Two-Phase Bidirectional Heat Exchanger

Heat exchanger transfers heat from one two-phase thermal loop to another. Condenses vapor in one loop while evaporating liquid in other. Transfers heat with very small drops in temperature and pressure, and efficiently joins heat pipes thermally without mixing of their working fluids. Several such heat exchangers used to build long, complex multiloop heat-control systems. Exchanger bidirectional: transfers heat in reverse, condensing on normally evaporating side, and vice versa. Can warm equipment it normally cools, without using auxiliary heater. In reverse transfer, wicks on evaporating side supply liquid continuously by capillary action; reverse-flow pump not needed. Design modified for other working fluids and larger heat-transfer rates.

Kroliczek, Edward↗

DOE OSTI2021

Anomalous normal fluid response in a chiral superconductor UTe2

Abstract Chiral superconductors have been proposed as one pathway to realize Majorana normal fluid at its boundary. However, the long-sought 2D and 3D chiral superconductors with edge and surface Majorana normal fluid are yet to be conclusively found. Here, we report evidence for a chiral spin-triplet pairing state of UTe 2 with surface normal fluid response. The microwave surface impedance of the UTe 2 crystal was measured and converted to complex conductivity, which is sensitive to both normal and superfluid responses. The anomalous residual normal fluid conductivity supports the presence of a significant normal fluid response. The superfluid conductivity follows the temperature behavior predicted for an axial spin-triplet state, which is further narrowed down to a chiral spin-triplet state with evidence of broken time-reversal symmetry. Further analysis excludes trivial origins for the observed normal fluid response. Our findings suggest that UTe 2 can be a new platform to study exotic topological excitations in higher dimension.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2005

Integrity of Polymethylmethacrylate (PMMA) Chemically Welded Joints Examined

NASA Glenn Research Center s Capillary Flow Experiments (CFE) program is developing experiment payloads to explore fluid interfaces in microgravity on the International Space Station. The information to be gained from the CFE is relevant to the design of fluid-bearing systems in which capillary forces predominate, for example in the passive positioning of liquids in spacecraft fuel tanks. To achieve the science goals of CFE, Glenn researchers constructed several types of experiment vessels. One type of vessel, known as the interior corner flow (ICF), will be used to determine important transients for low-gravity liquid management in a two-phase system. Each vessel has a cylindrical fluid reservoir connected to each end of the test chamber by internal transport tubes, each with a quarter-turn shutoff valve (see the following photograph). These multipiece vessels are made from polymethylmethacrylate (PMMA) because of its excellent optical properties (i.e., the fluids can be observed easily in the vessel). Because of the complexity of certain vessels, the test chamber had to be manufactured in pieces and welded chemically. Some past experience with adhesive bonded plastic showed that the experiment fluid degraded the adhesive to the point of failure. Therefore, it was necessary to see if the fluid also degraded the chemically welded PMMA joints.

Lerch, Bradley A.↗

DOE OSTI2019

Online supercritical fluid extraction mass spectrometry (SFE-LC-FTMS) for sensitive characterization of soil organic matter

We report a novel technical approach for subcritical fluid extraction (SFE) for organic matter characterization in complex matrices such as soil. The custom platform combines on-line SFE with micro-solid phase extraction, nano liquid chromatography (LC), electrospray ionization and Fourier transform mass spectrometry (SFE-LC-FTMS). We demonstrated the utility of SFE-LC-FTMS, including results from both Orbitrap and FTICR MS, for analysis of complex mixtures of organic compounds in a solid matrix by characterizing soil organic matter in peat, a high-carbon soil. For example, in a single experiment, >6000 molecular formulas can be assigned based upon FTICR MS data from 1–50 μL of soil samples (roughly 1–50 mg of soil, dependent on soil density), nearly twice that typically obtained from direct infusion liquid solvent extraction (LSE) from an order of magnitude larger volume of the same soil. The detected species consisted predominately of lipid-like, lignin-like and protein-like compounds, based on their O/C and H/C ratios, with predominantly CHO and CHONP molecular compositions. These results clearly demonstrate that SFE has the potential to effectively extract a variety of molecular species and could become an important member of a suite of extraction methods for studying SOM and other natural organic matter. This is especially true when comprehensive coverage, minimal sample volumes, and high sensitivity are required, or when the presence of organic solvent residue in residual soil is problematic. Lastly, the SFE based extraction protocol could potentially enable spatially resolved characterization of organic matter in soil with a resolution of ~1 mm3 to facilitate studies probing the spatial heterogeneity of soil.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Effect of outer-cylinder rotation on the radially heated Taylor–Couette flow

A Taylor–Couette setup with radial heating is considered where a Boussinesq fluid is sheared in the annular region between two concentric, independently rotating cylinders maintained at different temperatures. Linear stability analysis is performed to determine the Taylor number for the onset of instability. Two radius ratios corresponding to wide and thin gaps with several rotation rate ratios are considered. The rotation of the outer cylinder is found to have a general stabilizing effect on the stability threshold as compared to pure inner-cylinder rotation, with a few exceptions. The radial heating sets up an axial flow which breaks the reflection symmetry of isothermal Taylor–Couette flow in the axial coordinate. This symmetry breaking separates linear stability thresholds, and we find the fastest growing modes with both positive and negative azimuthal numbers for different parameters. Another important finding of the current study is the discovery of unstable modes in the Rayleigh-stable regime. Furthermore, closed disconnected neutral curves (CDNCs) are observed for both wide and thin gaps which can separate from or merge into open neutral–stability curves. Alternatively, CDNCs can also morph into open neutral stability curves as the rotation rate ratio is changed. CDNCs are observed to be sensitive to changes in control parameters, and their appearance/disappearance is shown to induce discontinuous jumps in the critical Taylor number. Finally, for both wide and thin gaps, the fastest-growing modes found in the pure corotation case are shown to have their origins in the instability islands at smaller values of rotation rate ratios.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Challenging the thorium-immobility paradigm

Thorium is the most abundant actinide in the Earth’s crust and has universally been considered one of the most immobile elements in natural aqueous systems. This view, however, is based almost exclusively on solubility data obtained at low temperature and their theoretical extrapolation to elevated temperature. The occurrence of hydrothermal deposits with high concentrations of Th challenges the Th immobility paradigm and strongly suggests that Th may be mobilized by some aqueous fluids. Here, we demonstrate experimentally that Th, indeed, is highly mobile at temperatures between 175 and 250°C in sulfate-bearing aqueous fluids due to the formation of the highly stable Th(SO 4 ) 2 aqueous complex. The results of this study indicate that current models grossly underestimate the mobility of Th in hydrothermal fluids, and thus the behavior of Th in ore-forming systems and the nuclear fuel cycle needs to be re-evaluated.

58 GEOSCIENCES↗

DOE OSTI2014

Complex quantum Hamilton-Jacobi equation with Bohmian trajectories: Application to the photodissociation dynamics of NOCl

The complex quantum Hamilton-Jacobi equation-Bohmian trajectories (CQHJE-BT) method is introduced as a synthetic trajectory method for integrating the complex quantum Hamilton-Jacobi equation for the complex action function by propagating an ensemble of real-valued correlated Bohmian trajectories. Substituting the wave function expressed in exponential form in terms of the complex action into the time-dependent Schrödinger equation yields the complex quantum Hamilton-Jacobi equation. We transform this equation into the arbitrary Lagrangian-Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation describing the rate of change in the complex action transported along Bohmian trajectories is simultaneously integrated with the guidance equation for Bohmian trajectories, and the time-dependent wave function is readily synthesized. The spatial derivatives of the complex action required for the integration scheme are obtained by solving one moving least squares matrix equation. In addition, the method is applied to the photodissociation of NOCl. The photodissociation dynamics of NOCl can be accurately described by propagating a small ensemble of trajectories. This study demonstrates that the CQHJE-BT method combines the considerable advantages of both the real and the complex quantum trajectory methods previously developed for wave packet dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Mobility of heavy rare earth elements in magmatic-hydrothermal systems: Experimental determination of DyPO 4 solubility in supercritical fluids

Dysprosium (Dy) is part of the heavy rare earth elements (REE) and a critical component in the production of high-performance super magnets used in wind turbines, electric vehicles, and other green technologies. The HREE phosphate, xenotime, is commonly associated with hydrothermal systems, where the mobility, fractionation, and deposition of REE are controlled by the stability of aqueous complexes and solubility of REE minerals which depend on temperature, pressure, and fluid composition (salinity, pH, and ligand availability). Here, we conducted a series of synthetic DyPO 4 solubility experiments in NaCl-HCl-bearing aqueous solutions (pH of 2 at 25 °C) from 500 to 700 °C and 1.5 kbar using externally heated pressure vessels. DyPO 4 displays a strong prograde solubility with temperature across all studied fluid salinities (0–0.5 m NaCl). The DyPO₄ solubility isotherms at 500 °C, 600 °C, and 700 °C show a complex relationship with salinity where DyPO₄ solubility is highest (39.2–1552 ppm at 500–700 °C) in 0 m NaCl solutions, decreases strongly (21–331 ppm at 500–700 °C) in the 0.06 m NaCl solutions and remains relatively constant in the 0.25 m (42.8–248 ppm) and 0.5 m NaCl (40.2–124 ppm) solutions. Thermodynamic modeling suggests that pH increases as a function of temperature and salinity, and controls solubility due to the stability of chloride complexes (i.e., DyCl +2 and DyCl 2 + ) at 500–600 °C, transitioning to hydroxyl complexes (i.e., Dy(OH) 3 0 ) dominating at 700 °C and relatively alkaline pH. Comparison with NdPO 4 solubility data indicates that the light REE in monazite is significantly more soluble than the heavy REE in xenotime in saline fluids at high temperature (500–700 °C), implying efficient light/heavy REE fractionation in supercritical fluids. The lower solubility of DyPO 4 relative to NdPO 4 suggests that at high temperatures, acidic (pH 2–4), low-salinity (∼5 wt% NaCl) fluids will favor the precipitation of xenotime over monazite as it will cool from 700 °C to below 500 °C. These observations align with paragenetic mineral assemblages in NYF pegmatites (e.g., Baveno, Italy), where xenotime commonly immobilizes heavy REE during the high-temperature hydrothermal stages.

58 GEOSCIENCES↗