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DOE OSTI2018

Micro-Raman technology to interrogate two-phase extraction on a microfluidic device

Microfluidic devices provide ideal environments to study solvent extraction. When droplets form and generate plug flow down the microfluidic channel, the device acts as a microreactor in which the kinetics of chemical reactions and interfacial transfer can be examined. Among the many benefits of microreactors is the ability to maintain small sample volumes, which is especially important when studying solvent extraction in harsh environments, such as in separations related to the nuclear fuel cycle. In solvent extraction, the efficiency of the process depends on complex formation and rates of transfer in biphasic systems. Thus, it is important to understand the kinetic parameters in an extraction system to maintain a high efficiency and effectivity of the process. Here we present a methodology that combines chemometric analysis with on-line micro-Raman spectroscopy to monitor biphasic extractions within a microfluidic device. This monitoring provided concentration measurements in both organic and aquoeus plugs as they flowed through the microfluidic channel. The biphasic system studied was comprised of HNO3 as the aqueous phase and 30 % (v/v) tributyl phosphate in n-dodecane comprised the organic phase, which simulated the Plutonium Uranium Redox EXtraction (PUREX) process. Using pre-equilibrated solutions (post extraction) the validity of the technique and methodology is illustrated. Following this validation, solutions that were not equilibrated were examined and the kinetics of interfacial mass transfer within the biphasic system were established. Results were compared to kinetics already determined on a macro scale to prove the efficacy of the technique

extraction, interfacial transport, liquid:liquid e↗

NASA NTRS1976

Non-equilibrium radiation from viscous chemically reacting two-phase exhaust plumes

A knowledge of the structure of the rocket exhaust plumes is necessary to solve problems involving plume signatures, base heating, plume/surface interactions, etc. An algorithm is presented which treats the viscous flow of multiphase chemically reacting fluids in a two-dimensional or axisymmetric supersonic flow field. The gas-particle flow solution is fully coupled with the chemical kinetics calculated using an implicit scheme to calculate chemical production rates. Viscous effects include chemical species diffusion with the viscosity coefficient calculated using a two-equation turbulent kinetic energy model.

Penny, M. M.↗

NASA NTRS1979

High-acceleration mass drivers

High-acceleration mass drivers are discussed including the MD2 model of axial geometry, with individually powered drive coils of 13.1 cm diameter. Timing is derived through the interruption of light beams by the moving armature (bucket). Electric power is provided by the resonant discharge of sector capacitor banks through silicon-controlled rectifiers in a two-phase, quadrature circuit. The bucket flies in vacuum, guided by passive dynamic eddy-current magnetic forces, those currents flowing in strip conductors lining the inside of a nonconducting vacuum pipe. Quantitative measurements are obtained with a solid bucket carrying two superconducting coils with a current density of 25 kA/sq cm. A cryogenic station for cooling the bucket to liquid helium temperature is connected to the vacuum pipe.

Oneill, G. K.↗

NASA NTRS1983

Orbital motion and mass flow in the interacting binary Be star HR 2142

The discovery of an unusual, periodic, two-component shell phase of short duration in the 'classical' Be star HR2142 (HD41335, MWC133) offered convincing evidence that this object is a mass-transfer binary system. A model based solely on the phase-dependent behavior of the hydrogen shell lines in this 80(d).860 binary was developed by Peters and Polidan (1973) and by Peters (1976). The present investigation is concerned with a refinement to the earlier model, taking into account the utilization of an orbital solution obtained from measurements of the wings of the broad photospheric features observed in the rapidly rotating primary. Velocities and equivalent widths from the sharp 'shell' lines, presumably formed in or near the gas stream, provide additional information on the mass flow in the Balmer-line-formation region.

Peters, G. J.↗

NASA NTRS1983

Effect of particle presence on the incompressible inviscid flow through a two dimensional compressor cascade

A computational model for calculating the flow field, in the presence of solid particles, through a two dimensional compressor cascade is presented. The method treats the particle phase in the Lagrangian system and the fluid phase in the Eulerian system. The equations of momentum of the fluid phase are modified to account for the momentum exchange between the two phases. The resulting modified momentum and continuity equations are reduced to the conventional stream function-vorticity formulation. The analysis yields the change in the blade surface pressure distribution, the total pressure and velocity in the flow field. Based on this, it is possible to predict the decrease in compressor performance under the presence of particles.

Balan, C.↗

NASA NTRS1993

A finite-element-based perturbation model for the rotordynamic analysis of shrouded pump impellers: Part 2: User's guide

This report describes the computational steps involved in executing a finite-element-based perturbation model for computing the rotor dynamic coefficients of a shrouded pump impeller or a simple seal. These arise from the fluid/rotor interaction in the clearance gap. In addition to the sample cases, the computational procedure also applies to a separate category of problems referred to as the 'seal-like' category. The problem, in this case, concerns a shrouded impeller, with the exception that the secondary, or leakage, passage is totally isolated from the primary-flow passage. The difference between this and the pump problem is that the former is analytically of the simple 'seal-like' configuration, with two (inlet and exit) flow-permeable stations, while the latter constitutes a double-entry / double-discharge flow problem. In all cases, the problem is that of a rotor clearance gap. The problem here is that of a rotor excitation in the form of a cylindrical whirl around the housing centerline for a smooth annular seal. In its centered operation mode, the rotor is assumed to give rise to an axisymmetric flow field in the clearance gap. As a result, problems involving longitudinal or helical grooves, in the rotor or housing surfaces, go beyond the code capabilities. Discarding, for the moment, the pre- and post-processing phases, the bulk of the computational procedure consists of two main steps. The first is aimed at producing the axisymmetric 'zeroth-order' flow solution in the given flow domain. Detailed description of this problem, including the flow-governing equations, turbulence closure, boundary conditions, and the finite-element formulation, was covered by Baskharone and Hensel. The second main step is where the perturbation model is implemented, with the input being the centered-rotor 'zeroth-order' flow solution and a prescribed whirl frequency ratio (whirl frequency divided by the impeller speed). The computational domain, in the latter case, is treated as three dimensional, with the number of computational planes in the circumferential direction being specified a priori. The reader is reminded that the deformations in the finite elements are all infinitesimally small because the rotor eccentricity itself is a virtual displacement. This explains why we have generically termed the perturbation model the 'virtually' deformable finite-element category. The primary outcome of implementing the perturbation model is the tangential and radial components, F(sub theta)(sup *) and F(sub r)(sup *) of the fluid-exerted force on the rotor surface due to the whirling motion. Repetitive execution of the perturbation model subprogram over a sufficient range of whirl frequency ratios, and subsequent interpolation of these fluid forces, using the least-square method, finally enable the user to compute the impeller rotor dynamic coefficients of the fluid/rotor interaction. These are the direct and cross-coupled stiffness, damping, and inertia effects of the fluid/rotor interaction.

Baskharone, Erian A.↗

NASA NTRS1973

Sound propagation in and radiation from acoustically lined flow ducts: A comparison of experiment and theory

The results of an experimental and theoretical study of many of the fundamental details of sound propagation in hard wall and soft wall annular flow ducts are reported. The theory of sound propagation along such ducts and the theory for determining the complex radiation impedance of higher order modes of an annulus are outlined, and methods for generating acoustic duct modes are developed. The results of a detailed measurement program on propagation in rigid wall annular ducts with and without airflow through the duct are presented. Techniques are described for measuring cut-on frequencies, modal phase speed, and radial and annular mode shapes. The effects of flow velocity on cut-on frequencies and phase speed are measured. Comparisons are made with theoretical predictions for all of the effects studies. The two microphone method of impedance is used to measure the effects of flow on acoustic liners. A numerical study of sound propagation in annular ducts with one or both walls acoustically lined is presented.

Plumblee, H. E., Jr.↗

NASA NTRS1973

Droplet monitoring probe

A droplet monitoring system is disclosed for analysis of mixed-phase fluid flow in development of gas turbines. The system uses a probe comprising two electrical wires spaced a known distance apart and connected at one end to means for establishing a dc potential between the wires. A drop in the fluid stream momentarily contacting both wires simultaneously causes and electrical signal which is amplified, detected and counted.

Baughman, J. R.↗

NASA NTRS1984

Experimental study of bubble cavities attached to a rotating shaft in a reservoir

Bubble cavities formed by air entrainment and attached to a rotating shaft in an oil reservoir were studied. The cavities appear to the unaided eye as toroidal. High speed photography, however, reveals the individuality of the bubble cavities and their near solid body rotational characteristics. The cavities are distorted by the rotation effects but remain attached and tend to merge because of edge effects in the axial direction. The flow field within the reservoir is influenced by the unusual character of the two phase fluid found there; the vorticity is readily visualized. Other examples of vapor entrapment at the inlet of an eccentric rotor are also discussed. A simplified analytical method is provided, and a numerical analysis is being investigated. Vapor (void) entrainment and generation can significantly alter leakage rates and stability of seals, bearings, and dampers. Recognition of these effects in the component design systems will result only after detailed studies of the above phenomena.

Hendricks, R. C.↗

NASA NTRS1996

Fluid Dynamic Verification Experiments on STS-70

Fluid dynamic experiments were flown on STS-70 as phase two of the engineering evaluation of the first bioreactor Engineering Development Unit (EDU#1). The phase one experiments were comparative cell cultures in identical units on earth and onboard STS-70. In phase two, two types of fluid dynamic experiments were performed. Qualitative comparisons of the basic flow patterns were evaluated with the use of 'dye' streaklines formed from alternate injections of either a mild acid or base solution into the external flow loop that was then perfused into the vessel. The presence of Bromothymol Blue in the fluid then caused color changes from yellow to blue or vice versa, indicating the basic fluid motions. This reversible change could be repeated as desired. In the absence of significant density differences in the fluid, the flow patterns in space should be the same as on earth. Video tape records of the flow patterns for a wide range of operating conditions were obtained. The second type of fluid dynamic experiment was the quantitative evaluation of the trajectories of solid beads of various densities and sizes. The beads were introduced into the vessel and the paths recorded on video tape, with the vessel operated at various rotation rates and flow perfusion rates. Because of space limitations, the video camera was placed as close as possible to the vessel, resulting in significant optical distortion. This report describes the analysis methods to obtain comparisons between the in-flight fluid dynamics and numerical models of the flow field. The methods include optical corrections to the video images and calculation of the bead trajectories for given operating conditions and initial bead locations.

Kleis, Stanley J.↗

NASA NTRS1994

Numerical Computation of Flame Spread over a Thin Solid in Forced Concurrent Flow with Gas-phase Radiation

Excerpts from a paper describing the numerical examination of concurrent-flow flame spread over a thin solid in purely forced flow with gas-phase radiation are presented. The computational model solves the two-dimensional, elliptic, steady, and laminar conservation equations for mass, momentum, energy, and chemical species. Gas-phase combustion is modeled via a one-step, second order finite rate Arrhenius reaction. Gas-phase radiation considering gray non-scattering medium is solved by a S-N discrete ordinates method. A simplified solid phase treatment assumes a zeroth order pyrolysis relation and includes radiative interaction between the surface and the gas phase.

Jiang, Ching-Biau↗

NASA NTRS1995

LES, DNS and RANS for the analysis of high-speed turbulent reacting flows

The purpose of this research is to continue our efforts in advancing the state of knowledge in large eddy simulation (LES), direct numerical simulation (DNS), and Reynolds averaged Navier Stokes (RANS) methods for the computational analysis of high-speed reacting turbulent flows. In the second phase of this work, covering the period 1 Aug. 1994 - 31 Jul. 1995, we have focused our efforts on two programs: (1) developments of explicit algebraic moment closures for statistical descriptions of compressible reacting flows and (2) development of Monte Carlo numerical methods for LES of chemically reacting flows.

Adumitroaie, V.↗

NASA NTRS2009

An Integrated Solution for Performing Thermo-fluid Conjugate Analysis

A method has been developed which integrates a fluid flow analyzer and a thermal analyzer to produce both steady state and transient results of 1-D, 2-D, and 3-D analysis models. The Generalized Fluid System Simulation Program (GFSSP) is a one dimensional, general purpose fluid analysis code which computes pressures and flow distributions in complex fluid networks. The MSC Systems Improved Numerical Differencing Analyzer (MSC.SINDA) is a one dimensional general purpose thermal analyzer that solves network representations of thermal systems. Both GFSSP and MSC.SINDA have graphical user interfaces which are used to build the respective model and prepare it for analysis. The SINDA/GFSSP Conjugate Integrator (SGCI) is a formbase graphical integration program used to set input parameters for the conjugate analyses and run the models. The contents of this paper describes SGCI and its thermo-fluids conjugate analysis techniques and capabilities by presenting results from some example models including the cryogenic chill down of a copper pipe, a bar between two walls in a fluid stream, and a solid plate creating a phase change in a flowing fluid.

Kornberg, Oren↗

DOE OSTI2021

Striving to translate shale physics across ten orders of magnitude: What have we learned?

Shales will play an important role in the successful transition of energy from fossil-based resources to renewables in the coming decades. Aside from being a significant source of low-carbon intensity fuels, like natural gas, they also serve as geologic seals of subsurface formations that may be used to isolate nuclear waste, sequester CO 2 , or store intermittent energy (e.g., solar hydrogen). Despite their importance, shales pose significant engineering and environmental challenges due to their nanoporous structure and extreme heterogeneity that spans at least ~10 orders of magnitude in spatial scale. Two challenges inhibit a system-level understanding: (1) the physics of fluid flow and phase behavior in shales are poorly understood due to the dominant molecular interactions between minerals and fluids under confinement, and (2) the apparent lack of scale separation that prevents a reliable (closed) description of the physics at any single scale of observation. In this review, we focus on the latter issue and discuss scale translation, which in its broadest sense is transforming data or simulations from one spatiotemporal scale to another. While effective scale translation is not exclusive to shales, but all geologic porous media, the need for it is especially acute in shales given their high degree of heterogeneity. Classical theories like homogenization, while indispensable, fail when scales are not separated. Other methods, like numerical upscaling, scale-translate in only one direction: small to large, but not the reverse, called downscaling. However, the confluence of advances in three areas are bringing challenging problems such as shales within reach: increased computational power and scalable algorithms; high-resolution imaging and multi-modal data acquisition; and machine learning to process massive amounts of data. While these advances equip geoscientists with a wide array of experimental and computational tools, no individual tool can probe the entire gamut of heterogeneity in shales. Their effective use, therefore, requires an ability to bridge between various data types obtained at different scales. The aim of this review is to present a coherent account of computational and experimental methods that may be used to achieve just that, i.e., to perform scale translation. We provide a broader definition of scale translation, one that transcends classical homogenization and upscaling methods, but is consistent with them and accommodates notions like downscaling and data translation. After a brief introduction to homogenization, we review hybrid methods, numerical upscaling and its recent extensions, multiscale computing, high-resolution imaging, and machine learning. We place particular emphasis on multiscale computing and propose an algorithmic framework to bridge between the pore (micro) and Darcy (macro) scales. Throughout the paper, we draw comparisons between the various methods and highlight their (often hidden) similarities, differences, benefits, and pitfalls. We finally conclude with two case studies on shales that exemplify some of the methods presented.

58 GEOSCIENCES↗

NASA NTRS1976

Kinetic theory of turbulent compressible flows and comparison with classical theory

A complete set of turbulent correlations is given in terms of expansion coefficients in a double series of Hermite polynomials of a two-particle correlation in phase space. Only two of these coefficients, corresponding to Reynolds stress and turbulent heat flux, are shown to appear in gasdynamic equations of turbulence. This is accomplished by incorporating the phase-space correlation in the collision integral of Boltzmann's equation and by deriving generalized Navier-Stokes and Fourier transport relations. In contrast to the classical formalism, the simple expression remains invariant in form whether the flow is compressible or not. Nevertheless, a bilinear transformation of fluctuating quantities shows that the two formalisms are identical with regard to terms of double correlations. The kinetic theory justifies nonexistence of the higher-order correlations characteristic of compressible-turbulence equations in the classical regime.

Tsuge, S.↗

NASA NTRS1998

LSPRAY: Lagrangian Spray Solver for Applications With Parallel Computing and Unstructured Gas-Phase Flow Solvers

Sprays occur in a wide variety of industrial and power applications and in the processing of materials. A liquid spray is a phase flow with a gas as the continuous phase and a liquid as the dispersed phase (in the form of droplets or ligaments). Interactions between the two phases, which are coupled through exchanges of mass, momentum, and energy, can occur in different ways at different times and locations involving various thermal, mass, and fluid dynamic factors. An understanding of the flow, combustion, and thermal properties of a rapidly vaporizing spray requires careful modeling of the rate-controlling processes associated with the spray's turbulent transport, mixing, chemical kinetics, evaporation, and spreading rates, as well as other phenomena. In an attempt to advance the state-of-the-art in multidimensional numerical methods, we at the NASA Lewis Research Center extended our previous work on sprays to unstructured grids and parallel computing. LSPRAY, which was developed by M.S. Raju of Nyma, Inc., is designed to be massively parallel and could easily be coupled with any existing gas-phase flow and/or Monte Carlo probability density function (PDF) solver. The LSPRAY solver accommodates the use of an unstructured mesh with mixed triangular, quadrilateral, and/or tetrahedral elements in the gas-phase solvers. It is used specifically for fuel sprays within gas turbine combustors, but it has many other uses. The spray model used in LSPRAY provided favorable results when applied to stratified-charge rotary combustion (Wankel) engines and several other confined and unconfined spray flames. The source code will be available with the National Combustion Code (NCC) as a complete package.

Raju, Manthena S.↗

DOE OSTI2022

Thermodynamic assessment of nonstoichiometric oxides for solar thermochemical fuel production

Two-step solar thermochemical cycling (STC) based on nonstoichiometric oxides is an ideal means of solar fuel (e.g., H 2 , CO) production. Screening of nonstoichiometric oxides with excellent thermodynamic performance is key to achieving high solar-to-fuel efficiency. However, application-driven materials assessment intended for reactor-level solar fuel production performance requires mimicking realistic operating conditions of on-sun tests in a laboratory setting, which makes oxides assessment and screening an onerous task to accomplish experimentally. In this work, a rapid assessment and screening model of nonstoichiometric oxides for two-step solar thermochemical cycling assuming fixed-bed flow pattern and quasi-equilibration of the solid with the flowing gas phase is developed, with solar-to-fuel efficiency being the target function of optimization. The model accounts for the thermodynamic parameters of oxide materials and typical operating conditions of experimental thermochemical cycling. This study employed the model to explore and compare two groups of typical nonstoichiometric oxides (CeO 2 - and (LaSr)MnO 3 -based) for their maximum efficiency under their uniquely optimized cycling conditions. The results show that CeO 2 can reach a maximum efficiency of 12.9% at reduction temperature of 1500 °C, which is superior to other candidate materials, including 20 mol% Zr-doped CeO 2 (10.1%), La 0.6 Sr 0.4 MnO 3 (2.5%) and La 0.8 Sr 0.2 MnO 3 (3.3%). Even when the reduction temperature is lowered to 1350 °C, ceria yields the highest efficiency amongst the candidate STC materials considered. The optimal cycling strategy depends on the inherent thermodynamic properties of the oxides. This approach serves as a framework for assessing the maximum efficiency and optimal conditions of candidate thermochemical materials within a range of constraints rather than comparing materials under arbitrary cycling conditions, which may inherently favor one material over another. For oxidation temperatures below 800–1000 °C, the model could be further improved by considering reaction kinetics.

14 SOLAR ENERGY↗

DOE OSTI2018

Immobile Pore-Water Storage Enhancement and Retardation of Gas Transport in Fractured Rock

The effect of immobile pore-water on gas transport in fractured rock has implications for numerical modeling of soil vapor extraction, methane leakage, gaseous CO 2 leakage from sequestration operations, radionuclide transport from underground nuclear explosions, and nuclear waste disposal. While the ability for immobile pore-water storage to effect gas transport has been recognized in the past, the details and specific scenarios leading to enhanced, retarded, or unaffected gas transport have not been explored. In this paper, we performed numerical investigations into the enhancement and retardation of gas transport due to immobile pore-water storage in order to identify implications for gas transport applications. To do this, we developed a numerical approach to model gas transport with a single-phase flow solution coupled to the advection–dispersion equation modified to account for immobile pore-water storage. Other than the immobility of pore water, the formulation contains all other physics included in two-phase formulations (advective and diffusive gas transport in fractures and rock matrix and dissolution in immobile pore water). The assumption of immobile pore water is valid here since for many applications involving transport of soluble gases in fractured rock, the rate of aqueous transport is insignificant compared to gas transport. We verify our modeling approach with analytical solutions of: (1) 1D gas diffusion, (2) 1D gas advection, (3) barometric pumping of a fracture, and (4) gas transport with uniform fracture flow and diffusion into the matrix. We account for pore-water storage in our model by implementing a kinetic formulation of gas dissolution wherein the dissolved (aqueous) phase is considered an immobile constituent. Using this formulation, we model the effect of dissolution rate and saturation on the retardation of gas transport during pure diffusion and pure advection. We also demonstrate that although it is commonly believed that pore-water storage will always enhance gas transport in fractures during oscillatory flow (e.g., during reversing pressure gradients such as barometric pumping cycles), our simulations indicate that this may not always be the case. Our numerical investigations indicate that scenarios with lower effective diffusion coefficients ( ⪅ 10 − 5  m 2 / s ) and lower dissolution coefficients (i.e., the dissolution diffusion coefficient) ( ⪅ 10 − 11  m 2 / s ) will result in enhanced gas transport. Other combinations of gaseous diffusion and dissolution coefficients result in delayed gas transport or insignificant effect on gas transport. Based on these results, and given the fact that the free-air diffusion coefficients for many gases are slightly above 10 − 5  m 2 / s (near the boundary of enhanced/non-enhanced gas transport), tortuosity would have to be significant for gas transport enhancement to occur. Similarly, if we consider the free-water diffusion coefficient of gases (around 10 − 9  m 2 / s for many gases of interest) to be a maximum bound for the effective dissolution coefficients (i.e., the rate of diffusion into the water away from the air/water interface will limit the dissolution rate), the effective dissolution coefficient would have to be at least 2 orders of magnitude less for enhanced gas transport to occur. Otherwise, pore-water storage will delay or have negligible effect on the gas transport. The results also indicate that the assumption of instantaneous equilibrium, often invoked in numerical codes for dissolution processes (i.e., dissolution coefficient is effectively infinite), will fail to accurately capture important details of soluble gas transport. Finally, the implication of our results is that gas breakthrough times in fractured rock during oscillatory flow may be highly dependent on the effective gaseous diffusion and dissolution coefficients.

58 GEOSCIENCES↗