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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Effects of Lewis Number on Temperatures of Spherical Diffusion Flames

Spherical diffusion flames supported on a porous sphere were studied numerically and experimentally. Experiments were performed in 2.2 s and 5.2 s microgravity facilities. Numerical results were obtained from a Chemkin-based program. The program simulates flow from a porous sphere into a quiescent environment, yields both steady-state and transient results, and accounts for optically thick gas-phase radiation. The low flow velocities and long residence times in these diffusion flames lead to enhanced radiative and diffusive effects. Despite similar adiabatic flame temperatures, the measured and predicted temperatures varied by as much as 700 K. The temperature reduction correlates with flame size but characteristic flow times and, importantly, Lewis number also influence temperature. The numerical results show that the ambient gas Lewis number would have a strong effect on flame temperature if the flames were steady and nonradiating. For example, a 10% decrease in Lewis number would increase the steady-state flame temperature by 200 K. However, for these transient, radiating flames the effect of Lewis number is small. Transient predictions of flame sizes are larger than those observed in microgravity experiments. Close agreement could not be obtained without either increasing the model s thermal and mass diffusion properties by 30% or reducing mass flow rate by 25%.

Santa, K. J.↗
DOE OSTI2021

Effect of diffusion constant on the morphology of dendrite growth in lithium metal batteries

Lithium dendrites can lead to a short circuit and battery failure, and developing strategies for their suppression is of considerable importance. In this work, we study the growth of dendrites in a simple model system where the solvent is a continuum and the lithium ions are hard spheres that can deposit by sticking to existing spheres or the electrode surface. Using stochastic dynamics simulations, we investigate the effect of applied voltage and diffusion constant on the growth of dendrites. We find that the diffusion constant is the most significant factor, and the inhomogeneity of the electric field does not play a significant role. Additionally, the growth is most pronounced when the applied voltage and diffusion constant are both low. We observe a structural change from broccoli to cauliflower shape as the diffusion constant is increased. The simulations suggest that a control of electrolyte parameters that impact lithium diffusion might be an attractive route to controlling dendrite growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

FitIsoAndDeff and DeffCalculator Matlab Codes

These codes estimate effective diffusivity for species transport in materials and simultaneously fit multiple temperatures of measured isotherm and effective diffusivities for sorption transport of species through materials. Assumes triple-mode type sorption thermodynamics with mobile and immobile species in quasi-equilibrium.

Foley, BrandonR↗
NASA NTRS1975

External field effects on diffusion and solidification derived from the free-volume model

Expressions for the diffusion coefficient and the solidification rate from the free-volume model of liquids developed by Turnbull and Cohen have been used to estimate the effects which microgravity and magnetic fields will have on these quantities. The mathematical formalism describing changes of the diffusion coefficient and the solidification rate is the same for both the microgravity and magnetic field cases, but the difference between the magnitudes of the two effects is quite large. The change in the two parameters is found to be less than .0001% for the microgravity case and on the order of 0.1 to 1.1% for the magnetic field case for four representative materials. The diffusion coefficient and the solidification rate are found to increase under the influence of an applied magnetic field, and this is in agreement with experimental observations.

Miller, R. I.↗
NASA NTRS1992

Strain-induced extinction of hydrogen-air counterflow diffusion flames - Effects of steam, CO2, N2, and O2 additives to air

A fundamental study was performed using axisymmetric nozzle and tubular opposed jet burners to measure the effects of laminar plug flow and parabolic input velocity profiles on the extinction limits of H2-air counterflow diffusion flames. Extinction limits were quantified by 'flame strength', (average axial air jet velocity) at blowoff of the central flame. The effects of key air contaminants, on the extinction limits, are characterized and analyzed relative to utilization of combustion contaminated vitiated air in high enthalpy supersonic test facilities.

Pellett, G. L.↗
NASA NTRS2011

More-Accurate Model of Flows in Rocket Injectors

An improved computational model for simulating flows in liquid-propellant injectors in rocket engines has been developed. Models like this one are needed for predicting fluxes of heat in, and performances of, the engines. An important part of predicting performance is predicting fluctuations of temperature, fluctuations of concentrations of chemical species, and effects of turbulence on diffusion of heat and chemical species. Customarily, diffusion effects are represented by parameters known in the art as the Prandtl and Schmidt numbers. Prior formulations include ad hoc assumptions of constant values of these parameters, but these assumptions and, hence, the formulations, are inaccurate for complex flows. In the improved model, these parameters are neither constant nor specified in advance: instead, they are variables obtained as part of the solution. Consequently, this model represents the effects of turbulence on diffusion of heat and chemical species more accurately than prior formulations do, and may enable more-accurate prediction of mixing and flows of heat in rocket-engine combustion chambers. The model has been implemented within CRUNCH CFD, a proprietary computational fluid dynamics (CFD) computer program, and has been tested within that program. The model could also be implemented within other CFD programs.

Hosangadi, Ashvin↗
NASA NTRS1986

Knudsen diffusion - The effect of small pore size and low gas pressure on gaseous transport in soil

The analytical principles and applications of the theory of Knudsen diffusion are reviewed, with emphasis on gas transport in the soils of planetary bodies. Knudsen diffusion occurs when the mean free path of diffusing gas molecules surpasses the size of the pores through which diffusion proceeds. The process is then dominated by collisions with the pore walls. Computational techniques for deriving the Knudsen coefficient for soils with a nonreentrant cross-section shape are reviewed, along with methods of deriving a coefficient for soils which permit both Knudsen and bulk diffusion. Sample calculations for three pore-size distributions are provided to illustrate the decrease in transport efficiency with increasingly smaller soil pore sizes.

Clifford, S. M.↗
NASA NTRS1993

Trace elements in migrating high-temperature fluids: Effects of diffusive exchange with the adjoining solid

Trace element concentrations and isotopic ratios are frequently used to study the behavior of high-temperature fluids in both metamorphic and igneous systems. Many theoretical formulations of the effects of fluid migration on trace elements have assumed instantaneous reequilibration between the migrating fluid and the solid material through which it is passing. This paper investigates the additional effects which arise when equilibration is not instantaneous due to a limited rate of diffusion in the solid, using an analytical steady state solution to a set of partial differential equations describing the exchange of trace elements between the fluid and the solid during the migration of the fluid.

Kenyon, Patricia M.↗
NASA NTRS2014

A Computational and Experimental Study of Coflow Laminar Methane/Air Diffusion Flames: Effects of Fuel Dilution, Inlet Velocity, and Gravity

The influences of fuel dilution, inlet velocity, and gravity on the shape and structure of laminar coflow CH4-air diffusion flames were investigated computationally and experimentally. A series of nitrogen-diluted flames measured in the Structure and Liftoff in Combustion Experiment (SLICE) on board the International Space Station was assessed numerically under microgravity (mu g) and normal gravity (1g) conditions with CH4 mole fraction ranging from 0.4 to 1.0 and average inlet velocity ranging from 23 to 90 cm/s. Computationally, the MC-Smooth vorticity-velocity formulation was employed to describe the reactive gaseous mixture, and soot evolution was modeled by sectional aerosol equations. The governing equations and boundary conditions were discretized on a two-dimensional computational domain by finite differences, and the resulting set of fully coupled, strongly nonlinear equations was solved simultaneously at all points using a damped, modified Newton's method. Experimentally, flame shape and soot temperature were determined by flame emission images recorded by a digital color camera. Very good agreement between computation and measurement was obtained, and the conclusions were as follows. (1) Buoyant and nonbuoyant luminous flame lengths are proportional to the mass flow rate of the fuel mixture; computed and measured nonbuoyant flames are noticeably longer than their 1g counterparts; the effect of fuel dilution on flame shape (i.e., flame length and flame radius) is negligible when the flame shape is normalized by the methane flow rate. (2) Buoyancy-induced reduction of the flame radius through radially inward convection near the flame front is demonstrated. (3) Buoyant and nonbuoyant flame structure is mainly controlled by the fuel mass flow rate, and the effects from fuel dilution and inlet velocity are secondary.

flames↗
NASA NTRS2015

A Numerical and Experimental Study of Coflow Laminar Diffusion Flames: Effects of Gravity and Inlet Velocity

In this work, the influence of gravity, fuel dilution, and inlet velocity on the structure, stabilization, and sooting behavior of laminar coflow methane-air diffusion flames was investigated both computationally and experimentally. A series of flames measured in the Structure and Liftoff in Combustion Experiment (SLICE) was assessed numerically under microgravity and normal gravity conditions with the fuel stream CH4 mole fraction ranging from 0.4 to 1.0. Computationally, the MC-Smooth vorticity-velocity formulation of the governing equations was employed to describe the reactive gaseous mixture; the soot evolution process was considered as a classical aerosol dynamics problem and was represented by the sectional aerosol equations. Since each flame is axisymmetric, a two-dimensional computational domain was employed, where the grid on the axisymmetric domain was a nonuniform tensor product mesh. The governing equations and boundary conditions were discretized on the mesh by a nine-point finite difference stencil, with the convective terms approximated by a monotonic upwind scheme and all other derivatives approximated by centered differences. The resulting set of fully coupled, strongly nonlinear equations was solved simultaneously using a damped, modified Newton's method and a nested Bi-CGSTAB linear algebra solver. Experimentally, the flame shape, size, lift-off height, and soot temperature were determined by flame emission images recorded by a digital camera, and the soot volume fraction was quantified through an absolute light calibration using a thermocouple. For a broad spectrum of flames in microgravity and normal gravity, the computed and measured flame quantities (e.g., temperature profile, flame shape, lift-off height, and soot volume fraction) were first compared to assess the accuracy of the numerical model. After its validity was established, the influence of gravity, fuel dilution, and inlet velocity on the structure, stabilization, and sooting tendency of laminar coflow methane-air diffusion flames was explored further by examining quantities derived from the computational results.

microgravity↗
DOE OSTI2019

Quantum Effects on H 2 Diffusion in Zeolite RHO: Inverse Kinetic Isotope Effect for Sieving

We use canonical variational theory (CVT) with small-curvature tunneling (SCT) contributions to investigate quantum effects on the H 2 diffusion process in the pure-silica zeolite RHO. At low temperature we find an inverse kinetic isotopic sieving effect in that the heavier isotopic species diffuses faster than the lighter one. Three quantum effects contribute to this kinetic isotope effect (KIE). The first one is quantum mechanical tunneling; this—on its own—would lead to a normal kinetic isotopic sieving effect, in which lighter diprotium diffuses faster than dideuterium. The second factor, which we find to dominate in the present case, is zero-point energy (ZPE). Deuterium has a lower ZPE, which leads to a smaller effective barrier for tunneling because the transition state has a larger ZPE than the precursor stable state; this results in an inverse KIE. The third factor, the thermal vibrational energy (computed from the quantized vibrational partition function), also favors a normal KIE, but it is outweighed by the ZPE effect. The vibrations of the zeolite host framework are found to play an important role at low temperatures, and our calculations consider up to 7296 degrees of freedom at the equilibrium structure and the saddle point and up to 221 degrees of freedom along the reaction path. In conclusion, the importance of quantum considerations on the dynamics is elucidated by comparison to a purely classical treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Extinction of the Stagnation Point Diffusion Flame: Effect of Conductive Heat Loss into Solid Interior

The planned microgravity experiment Growth and Extinction Limit (GEL) is designed to study the material flammability and extinction of thermally thick solid with an emphasis to quantify the effect of conductive heat loss into the solid interior by measuring the in-depth temperature profile. To obtain a more detailed understanding of the extinction phenomena, a previously developed one-dimensional axisymmetric stagnation-point diffusion flame model is expanded to account for the excessive heat loss into the solid beyond the steady burning state. This is important because for thick solids, this is important because the burning period can have a long and slow solid transient with a quasi-steady gas -phase. A non-dimensional excessive conductive heat loss parameter Ψ is defined in the paper and extensive numerical computations have been performed to determine the extinction boundary and the characteristics of near-limit flames. The classical U-shaped flammability boundary in the oxygen vs. stretch rate plot now becomes a series of U-shaped boundaries as a function of Ψ. For a given oxygen ambient, extinction boundary is a function of Ψ. The boundary consists of a blowoff branch and a radiative quenching branch. This is similar to the steady burning flammability boundary (Ψ =0) in the oxygen vs stretch rate plot. Extensive computed data including flame and pyrolysis temperatures, burning rate, flame standoff distance, and reaction rate are presented along the extinction boundaries. In particular, we note that the non-dimensional gas reaction rate is the ratio of diffusion reaction time to the reaction diffusion time, so it has the classical Damhkoler number character. By examining the maximum non-dimensional reaction rates, we observe that along the extinction boundaries, they are approximate constant across the entire range of stretch rates (from quenching to blow-off). These critical values are of the order unity but may vary in different oxygen ambient. The implication will be discussed in the presentation together with the near-limit flame structures.

Chengyao Li↗
DOE OSTI2023

Kinetic model describing self-limiting CO 2 diffusion in supported amine adsorbents

A reaction–diffusion shrinking core model describing the decay in diffusivity of supported amine sorbents upon CO 2 sorption under both simulated direct air capture and point source capture conditions is described. The decay in CO 2 diffusivity is associated with crosslinking in the aminopolymer samples and general pore blockage in the amino-silane derived samples, which occurs as CO 2 is adsorbed. The model is used to extract four kinetic parameters that govern the CO 2 uptake kinetics and working capacity: an apparent reaction rate constant, an initial effective diffusivity, and two dimensionless decay parameters. Ideally, an initially reaction limited system would allow for direct determination of the intrinsic reaction rate constant; however, sorption experiments suggest mass transfer resistances related to gas mixing, external boundary layers and intraparticle diffusion are present. Reaction rate constants are determined and agree well with theoretical values predicted with the Eyring equation parameterized using density functional theory energies from literature sources. The kinetic performance is expressed as the average effective diffusivity as a function of average conversion, which can be correlated to the dispersion of sorption sites on the support and the morphology of the active sorbent phase. Four supports are impregnated or grafted with amines, SBA-15, single-walled zeolite nanotubes (ZNT), Syloid SiO 2 , and γ-Al 2 O 3 . Due to its pore structure, γ-Al 2 O 3 supported amines can be modeled at the μm scale or at the nm scale, where the shell balance is on the μm-sized macroporous particle aggregate or on the nm-sized amine film on the surface of the Al 2 O 3 nanoparticles, which comprise the spherical particle aggregates. Faster diffusion rates are maintained under 400 ppm rather than 10% CO 2 due to a slower reaction rate giving a slower decay in diffusivity. In conclusion, this work provides a first principles kinetic analysis of CO 2 sorption where previous models are semi-empirical and use arbitrary kinetic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Extinction of the Stagnation Point Diffusion Flame: Effect of Conductive Heat Loss into Solid Interior

The flammability boundary of a solid is U-shaped with the ordinate as ambient oxygen percentage (or total pressure) and the abscissa represents flow velocity, gravity level, stretch rate, etc. The left side of the flammability boundary is the quenching branch, and the right side is the blow-off branch. Quenching is due to a weak flame whose heat release from combustion cannot overcome the excessive heat losses from, for example, radiation. Blow-off is due to a short gas residence time that is smaller than the chemical reaction time (traditionally referred to as the small Damköhler number effect). For thick solids, the heat conduction into the solid interior has a long transient after ignition before the solid temperature reaches the steady state. During this slow transient, there is excessive (i.e. more than that at the steady state) gas phase heat conduction into the solid interior. From the viewpoint of the quasi-static gaseous flame, this is an additional heat loss that will affect the gas flame's flammability. In this work, a previously developed one-dimensional axisymmetric stagnation-point diffusion flame model is extended to account for the excessive heat loss into the solid beyond the steady burning state. A non-dimensional excessive conductive heat loss parameter Ψ is defined in the paper to account for the transient solid effect. For each Ψ, the gas phase is considered reaching a quasi-steady state. Extensive numerical computations have been performed to determine the extinction boundary and the characteristics of near-limit flames. The U-shaped flammability boundary is now a series of boundaries with Ψ as a parameter. Flame structures under the same environment condition but with different Ψ are compared. For a given oxygen ambient, the extinction boundary Ψ vs stretch rate is an inverted U-shape. The boundary consists of a blowoff branch and a radiative quenching branch. Extensive computed data including flame and pyrolysis temperatures, burning rate, flame standoff distance, species concentration, and reaction rate are presented along the extinction boundaries. Heat balance analysis is performed for both the gas phase and the gas-solid interface. Along the extinction boundary, the relative importance of conduction, convection, radiation, and chemical reaction are analyzed in detail.

Stagnation point diffusion flame↗
NASA NTRS2002

Application of Local Discretization Methods in the NASA Finite-Volume General Circulation Model

We present the basic ideas of the dynamics system of the finite-volume General Circulation Model developed at NASA Goddard Space Flight Center for climate simulations and other applications in meteorology. The dynamics of this model is designed with emphases on conservative and monotonic transport, where the property of Lagrangian conservation is used to maintain the physical consistency of the computational fluid for long-term simulations. As the model benefits from the noise-free solutions of monotonic finite-volume transport schemes, the property of Lagrangian conservation also partly compensates the accuracy of transport for the diffusion effects due to the treatment of monotonicity. By faithfully maintaining the fundamental laws of physics during the computation, this model is able to achieve sufficient accuracy for the global consistency of climate processes. Because the computing algorithms are based on local memory, this model has the advantage of efficiency in parallel computation with distributed memory. Further research is yet desirable to reduce the diffusion effects of monotonic transport for better accuracy, and to mitigate the limitation due to fast-moving gravity waves for better efficiency.

Yeh, Kao-San↗