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Results for “Mass Transfer Kinetics”

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 19 records

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NASA NTRS1991

Effect of ohmic, mass-transfer, and kinetic resistances on linear-sweep voltammetry in a cylindrical-pore electrode

A means is presented to account for the effect of ohmic, mass-transfer, and kinetic resistances on linear-sweep voltammograms by modeling a pore in a porous matrix as a cylindrical-pore electrode, and solving the mass and charge conservation equations in the context of this geometry for the simply redox reaction O + ne(-) yield R where both O and R are soluble species. Both analytical and numerical techniques are used to solve the governing equations. The calculated peak currents and potentials are correlated by empirical formulas to the measurable parameters: sweep rate, concentration of the redox species, diffusion coefficient, conductivity of the electrolyte, and pore dimensions. Using the correlations, a methodology is established for determining if the redox reaction kinetics are irreversible or reversible (Nernstian). If the reaction is irreversible, it is shown how the standard rate constant and the transfer coefficient may be extracted from linear-sweep voltammetry data, or, if the reaction is reversible, how the number of electrons transferred may be deduced.

Weidner, John W.↗

NASA NTRS1973

An analysis of a charring ablator with thermal nonequilibrium, chemical kinetics, and mass transfer

The differential equations governing the transient response of a one-dimensional ablative thermal protection system are presented for thermal nonequilibrium between the pyrolysis gases and the char layer and with finite rate chemical reactions occurring. The system consists of three layers (the char layer, the uncharred layer, and an optical insulation layer) with concentrated heat sinks at the back surface and between the second and third layers. The equations are solved numerically by using a modified implicit finite difference scheme to obtain solutions for the thickness of the charred and uncharred layers, surface recession and pyrolysis rates, solid temperatures, porosity profiles, and profiles of pyrolysis-gas temperature, pressure, composition, and flow rate. Good agreement is obtained between numerical results and exact solutions for a number of simplified cases. The complete numerical analysis is used to obtain solutions for an ablative system subjected to a constant heating environment. Effects of thermal, chemical, and mass transfer processes are shown.

Clark, R. K.↗

NASA NTRS1972

A Numerical Analysis of the Transient Response of an Ablation System Including Effects of Thermal Nonequilibrium, Mass Transfer and Chemical Kinetics

The differential equations governing the transient response of a one-dimensional ablative thermal protection system undergoing stagnation ablation are derived. These equations are for thermal nonequilibrium effects between the pyrolysis gases and the char layer and kinetically controlled chemical reactions and mass transfer between the pyrolysis gases and the char layer. The boundary conditions are written for the particular case of stagnation heating with surface removal by oxidation or sublimation and pyrolysis of the uncharred layer occurring in a plane. The governing equations and boundary conditions are solved numerically using the modified implicit method (Crank-Nicolson method). Numerical results are compared with exact solutions for a number of simplified cases. The comparison is favorable in each instance.

Clark, R. K.↗

NASA NTRS1977

Effect of pulsed current charging on the performance of nickel-cadium cells

The effect of pulsed current charging on the charge acceptance of NiCd cells in terms of mass transfer, kinetic, and structural considerations was investigated. A systemic investigation on the performance of Ni-Cd cells by pulsed current charging was conducted under a variety of well-defined charge-discharge conditions. Experiments were carried out with half cells and film electrodes. The system behavior was studied by charge acceptance, mechanistic, and structural measurements.

Bedrossian, A. A.↗

NASA NTRS1984

A mathematical model for the iron/chromium redox battery

A mathematical model has been developed to describe the isothermal operation of a single anode-separator-cathode unit cell in a redox-flow battery and has been applied to the NASA iron/chromium system. The model, based on porous electrode theory, incorporates redox kinetics, mass transfer, and ohmic effects as well as the parasitic hydrogen reaction which occurs in the chromium electrode. A numerical parameter study was carried out to predict cell performance to aid in the rational design, scale-up, and operation of the flow battery. The calculations demonstrate: (1) an optimum electrode thickness and electrolyte flow rate exist; (2) the amount of hydrogen evolved and, hence, cycle faradaic efficiency, can be affected by cell geometry, flow rate, and charging procedure; (3) countercurrent flow results in enhanced cell performance over cocurrent flow; and (4) elevated temperature operation enhances cell performance.

Fedkiw, P. S.↗

NASA NTRS1987

Theoretical performance of hydrogen-bromine rechargeable SPE fuel cell

A mathematical model was formulated to describe the performance of a hydrogen-bromine fuel cell. Porous electrode theory was applied to the carbon felt flow-by electrode and was coupled to theory describing the solid polymer electrolyte (SPE) system. Parametric studies using the numerical solution to this model were performed to determine the effect of kinetic, mass transfer, and design parameters on the performance of the fuel cell. The results indicate that the cell performance is most sensitive to the transport properties of the SPE membrane. The model was also shown to be a useful tool for scale-up studies.

Savinell, Robert F.↗

NASA NTRS1988

Theoretical performance of hydrogen-bromine rechargeable SPE fuel cell

Savinell, R. F.↗

NASA NTRS1954

Kinetic Study of Mass Transfer by Sodium Hydroxide in Nickel Under Free-convection Conditions /by Don R. Mosher and Robert A. Lad

An investigation was conducted using static capsules fabricated from "L" nickel tubing to determine the effect of temperature level, temperature gradient, and test duration on corrosion and mass transfer by molten sodium hydroxide under free-convection conditions. A base temperature range from 1000 degrees to 1600 degrees F with temperature differences to 500 degrees was studied. The rate of mass transfer was found to be strongly dependent on both temperature level and gradient. The rate shows little tendency to decrease for test durations up to 200 hours, although the concentration of nickel in the melt approaches a limited value after 100 hours.

MATERIALS, PROPERTIES - CORROSION RESISTANCE↗

NASA NTRS2015

Modeling of Non-Isothermal Cryogenic Fluid Sloshing

A computational fluid dynamic model was used to simulate the thermal destratification in an upright self-pressurized cryostat approximately half-filled with liquid nitrogen and subjected to forced sinusoidal lateral shaking. A full three-dimensional computational grid was used to model the tank dynamics, fluid flow and thermodynamics using the ANSYS Fluent code. A non-inertial grid was used which required the addition of momentum and energy source terms to account for the inertial forces, energy transfer and wall reaction forces produced by the shaken tank. The kinetics-based Schrage mass transfer model provided the interfacial mass transfer due to evaporation and condensation at the sloshing interface. The dynamic behavior of the sloshing interface, its amplitude and transition to different wave modes, provided insight into the fluid process at the interface. The tank pressure evolution and temperature profiles compared relatively well with the shaken cryostat experimental test data provided by the Centre National D'Etudes Spatiales.

Cryogenics↗

NASA NTRS1994

Theoretical Basis for Estimated Test Times and Conditions for Drop Tower and Space-Based Droplet Burning Experiments With Methanol and N-Heptane

In order to develop an extensive envelope of test conditions for NASA's space-based Droplet Combustion Experiment (DCE) as well those droplet experiments which can be performed using a drop tower, the transient vaporization and combustion of methanol and n-heptane droplets were simulated using a recently developed fully time-dependent, spherically symmetric droplet combustion model. The transient vaporization of methanol and n-heptane was modeled to characterize the instantaneous gas phase composition surrounding the droplet prior to the introduction of an ignition source. The results for methanol/air showed that the entire gas phase surrounding a 2 mm methanol droplet deployed in zero-g .quickly falls outside the lean flammability limit. The gas phase surrounding an identically-sized n-heptane droplet, on the other hand, remains flammable. The combustion of methanol was then modeled considering a detailed gas phase chemical kinetic mechanism (168 steps, 26 species) and the effect of the dissolution of flame-generated water into the liquid droplet. These results were used to determine the critical ignition diameter required to achieve quasi-steady droplet combustion in a given oxidizing environment. For droplet diameters greater than the critical ignition diameter, the model predicted a finite diameter at which the flame would extinguish. These extinction diameters were found to vary significantly with initial droplet diameter. This phenomenon appears to be unique to the transient heat transfer, mass transfer and chemical kinetics of the system and thus has not been reported elsewhere to date. The extinction diameter was also shown to vary significantly with the liquid phase Lewis number since the amount of water present in the droplet at extinction is largely governed by the rate at which water is transported into the droplet via mass diffusion. Finally, the numerical results for n-heptane combustion were obtained using both 2 step and 96 step semi-emperical chemical kinetic mechanisms. Neither mechanism exhibited the variation of extinction diameter with initial diameter.

Marchese, Anthony J.↗

NASA NTRS2016

Modeling Droplet Heat and Mass Transfer during Spray Bar Pressure Control of the Multipurpose Hydrogen Test Bed (MHTB) Tank in Normal Gravity

A CFD model for simulating pressure control in cryogenic storage tanks through the injection of a subcooled liquid into the ullage is presented and applied to the 1g MHTB spray bar cooling experiments. An Eulerian-Lagrangian approach is utilized to track the spray droplets and capture the interaction between the discrete droplets and the continuous ullage phase. The spray model is coupled with the VOF model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. A new model for calculating the droplet-ullage heat and mass transfer is developed. In this model, a droplet is allowed to warm up to the saturation temperature corresponding to the ullage vapor pressure, after which it evaporates while remaining at the saturation temperature. The droplet model is validated against the results of the MHTB spray-bar cooling experiments with 50% and 90% tank fill ratios. The predictions of the present T-sat based model are compared with those of a previously developed kinetic-based droplet mass transfer model. The predictions of the two models regarding the evolving tank pressure and temperature distributions, as well as the droplets' trajectories and temperatures, are examined and compared in detail. Finally, the ullage pressure and local vapor and liquid temperature evolutions are validated against the corresponding data provided by the MHTB spray bar mixing experiment.

mass transfer↗

NASA NTRS1978

Droplet burning at zero G

Questions of the importance and feasibility of performing experiments on droplet burning at zero gravity in Spacelab were studied. Information on the physics and chemistry of droplet combustion, with attention directed specifically to the chemical kinetics, heat and mass transfer, and fluid mechanics of the phenomena involved, are presented. The work was divided into three phases, the justification, the feasibility, and the conceptual development of a preliminary design. Results from the experiments performed revealed a few new facts concerning droplet burning, notably burning rates in excess of theoretical prediction and a phenomenon of flash extinction, both likely traceable to accumulation of carbon produced by gas-phase pyrolysis in the fuel-rich zone enclosed by the reaction surface. These experiments also showed that they were primarily due to timing difficulties.

Williams, F. A.↗

NASA NTRS1975

Intumescent coating modeling

A thermal response mathematical model for an intumescent coating system is developed. The model predicts indepth temperature profiles of the solid as a function of the fundamental kinetic, mass, and heat-transfer properties of the original coating system. In the model, swelling is based on an empirical function of the paint's weight loss. The model is used to describe the effectiveness of the coating for thermal protection. Using the thermal response time at the backface of the material as a criterion, a sensitivity analysis is made with respect to variation in individual properties, such as total expansion, to provide a guide for designing improved intumescing agents. The sensitivity analysis shows that total expansion and rate of expansion, along with other material properties, are important parameters for providing thermal protection. Finally, backface temperature histories are predicted and compared to experimental data obtained from a representative fire environment. Predicted temperatures agree within a maximum error of plus or minus 20%.

Cagliostro, D. E.↗

NASA NTRS2000

Remobilizing the Interfaces of Thermocapillary Driven Bubbles Retarded by the Adsorption of a Surfactant Impurity on the Bubble Surface

Thermocapillary migration is a method for moving bubbles in space in the absence of buoyancy. A temperature gradient is applied to the continuous phase in which a bubble is situated, and the applied gradient impressed on the bubble surface causes one pole of the drop to be cooler than the opposite pole. As the surface tension is a decreasing function of temperature, the cooler pole pulls at the warmer pole, creating a flow which propels the bubble in the direction of the warmer fluid. A major impediment to the practical use of thermocapillarity to direct the movement of bubbles in space is the fact that surfactant impurities which are unavoidably present in the continuous phase can significantly reduce the migration velocity. A surfactant impurity adsorbed onto the bubble interface is swept to the trailing end of the bubble. When bulk concentrations are low (which is the case with an impurity), diffusion of surfactant to the front end is slow relative to convection, and surfactant collects at the back end of the bubble. Collection at the back lowers the surface tension relative to the front end setting up a reverse tension gradient. For buoyancy driven bubble motions in the absence of a thermocapillarity, the tension gradient opposes the surface flow, and reduces the surface and terminal velocities (the interface becomes more solid-like). When thermocapillary forces are present, the reverse tension gradient set up by the surfactant accumulation reduces the temperature tension gradient, and decreases to near zero the thermocapillary velocity. The objective of our research is to develop a method for enhancing the thermocapillary migration of bubbles which have been retarded by the adsorption onto the bubble surface of a surfactant impurity, Our remobilization theory proposes to use surfactant molecules which kinetically rapidly exchange between the bulk and the surface and are at high bulk concentrations. Because the remobilizing surfactant is present at much higher concentrations than the impurity, it adsorbs to the bubble much faster than the impurity when the bubble is formed, and thereby prevents the impurity from adsorbing onto the surface. In addition the rapid kinetic exchange and high bulk concentration maintain a saturated surface with a uniform surface concentrations. This prevents retarding surface tension gradients and keeps the velocity high. In our first report last year, we detailed experimental results which verified the theory of remobilization in ground based experiments in which the steady velocity of rising bubbles was measured in a continuous phase consisting of a glycerol/water mixture containing a polyethylene glycol surfactant C12E6 (CH3(CH2)11(OCH2CH2)6OH). In our report this year, we detail our efforts to describe theoretically the remobilization observed. We construct a model in which a bubble rises steadily by buoyancy in a continuous (Newtonian) viscous fluid containing surfactant with a uniform far field bulk concentration. We account for the effects of inertia as well as viscosity in the flow in the continuous phase caused by the bubble motion (order one Reynolds number), and we assume that the bubble shape remains spherical (viscous and inertial forces are smaller than capillary forces, i e. small Weber and capillary numbers). The surfactant distribution is calculated by solving the mass transfer equations including convection and diffusion in the bulk, and finite kinetic exchange the bulk and the surface. Convective effects dominate diffusive mass transfer in the bulk of the liquid (high Peclet numbers) except in a thin boundary layer near the surface. A finite volume method is used to numerically solve the hydrodynamic and mass transfer equations on a staggered grid which accounts specifically for the thin boundary layer. We present the results of the nondimensional drag as a function of the bulk concentration of surfactant for different rates of kinetic exchange, from which we develop criteria for the concentration necessary to develop a prescribed degree of remobilization. The criteria compare favorably with the experimental results.

Palaparthi, Ravi↗

NASA NTRS2001

Surfactant Facilitated Spreading of Aqueous Drops on Hydrophobic Surfaces

Microgravity technologies often require aqueous phases to spread over nonwetting hydrophobic solid surfaces. Surfactants facilitate the wetting of water on hydrophobic surfaces by adsorbing on the water/air and hydrophobic solid/water interfaces and lowering the surface tensions of these interfaces. The tension reductions decrease the contact angle, which increases the equilibrium wetted area. Hydrocarbon surfactants; (i.e., amphiphiles with a hydrophobic moiety consisting of an extended chain of (aliphatic) methylene -CH2- groups attached to a large polar group to give aqueous solubility) are capable of reducing the contact angles on surfaces which are not very hydrophobic, but do not reduce significantly the contact angles of the very hydrophobic surfaces such as parafilm, polyethylene or self assembled monolayers. Trisiloxane surfactants (amphiphiles with a hydrophobe consisting of methyl groups linked to a trisiloxane backbone in the form of a disk ((CH3)3-Si-O-Si-O-Si(CH3)3) and an extended ethoxylate (-(OCH2CH2)a-) polar group in the form of a chain with four or eight units) can significantly reduce the contact angle of water on a very hydrophobic surface and cause rapid and complete (or nearly complete) spreading (termed superspreading). The overall goal of the research described in this proposal is to establish and verify a theory for how trisiloxanes cause superspreading, and then use this knowledge as a guide to developing more general hydrocarbon based surfactant systems which superspread. We propose that the trisiloxane surfactants superspread because their structure allows them to strongly lower the high hydrophobic solid/aqueous tension when they adsorb to the solid surface. When the siloxane adsorbs, the hydrophobic disk parts of the molecule adsorb onto the surface removing the surface water. Since the cross-sectional area of the disk is larger than that of the extended ethoxylate chain, the disks can form a space-filling mat on the surface which removes a significant amount of the surface water. In this presentation, we report the results of measurements of the molecular packing and rates of kinetic exchange of the trisiloxane surfactants at the air/water interface in order to confirm our picture of trisiloxane packing, and provide additional insight into the superspreading process. We used the pendant bubble technique as a Langmuir trough to measure the trisiloxane equation of state which relates the tension to the surface concentration. From these measurements we obtain accurate values for the maximum packing density. We find that trisiloxanes with 4 and 8 ethoxylate groups have the same maximum packing concentration, indicating that the maximum packing is controlled by the cross section of the head group. For trisiloxanes with larger than eight ethoxylates, the maximum packing increases with ethoxylate number, indicating that the disposition of the ethoxylate chain (i.e., its effective size) is controlling. This supports our picture of superspreading: The superspreading ability of trisiloxanes decreases considerably for trisiloxanes with larger than eight ethoxylates; the packing measurements indicate that for the higher ethoxylate number trisiloxanes, the compact nonpolar head groups are pushed apart by the ethoxylate chain. They leave spaces of surface water on adsorption and do not lower the solid tension as much as their lower chain analogues. Finally the report measurements of the dynamic tension reduction accompanying the adsorption of trisiloxanes onto an initially clean interface using the pendant bubble technique, and we obtain from these relaxations, the equation of state and a mass transfer model, the rate constants for kinetic exchange. We find that the rate constants for desorption of trisiloxanes are generally much slower than for analogous aliphatic polyethoxylate surfactants with identical ethoxylate chain lengths. When an aqueous drop of a superspreader solution is placed on a hydrophobic surface and begins to spread, the lower desorption rates allows the tension at the drop center to remain reduced relative to the tension of the expanding periphery, thus strengthening Marangoni forces which can assist the spreading. Marangoni forces can be especially significant in the case of superspreaders because their maximum equilibrium reduction in tension is several dynes/cm lower than for aliphatic surfactants.

Kumar, Nitin↗

NASA NTRS1998

Droplet Combustion Experiment (DCE)

The first space-based experiments were performed on the combustion of free, individual liquid fuel droplets in oxidizing atmospheres. The fuel was heptane, with initial droplet diameters ranging about from 1 mm to 4 mm. The atmospheres were mixtures of helium and oxygen, at pressures of 1.00, 0.50 and 0.25 bar, with oxygen mole fractions between 20% and 40%, as well as normal Spacelab cabin air. The temperatures of the atmospheres and of the initial liquid fuel were nominally 300 K. A total of 44 droplets were burned successfully on the two flights, 8 on the shortened STS-83 mission and 36 on STS-94. The results spanned the full range of heptane droplet combustion behavior, from radiative flame extinction at larger droplet diameters in the more dilute atmospheres to diffusive extinction in the less dilute atmospheres, with the droplet disappearing prior to flame extinction at the highest oxygen concentrations. Quasisteady histories of droplet diameters were observed along with unsteady histories of flame diameters. New and detailed information was obtained on burning rates, flame characteristics and soot behavior. The results have motivated new computational and theoretical investigations of droplet combustion, improving knowledge of the chemical kinetics, fluid mechanics and heat and mass transfer processes involved in burning liquid fuels.

Haggard, John B., Jr.↗

NASA NTRSDate not supplied

CFD Modeling of Phase Change and Pressure Drop during Violent Sloshing of Cryogenic Fluid in a Small-Scale Tank

This paper presents the development of a two-phase CFD model that is used to study sloshing of a cryogenic fluid (LN2) undergoing phase change generated by lateral acceleration and its effects on the ensuing heat and mass transfer and pressure drop in a small-scale tank. In this model the interface is captured using the volume-of-fluid (VOF) method [1]. Kinetic-theory based Schrage relation [2] is used for calculating phase change mass transfer at the liquid-vapor interface. Computational results are compared to the data provided by a non-isothermal sloshing experiment with phase change conducted by the University of Tokyo and JAXA in 2018 using liquid Nitrogen in a transparent tank. The effect of different thicknesses of a liquid temperature stratification layer created at the interface on the pressure drop during sloshing was studied experimentally. CFD results for interface movement and tank pressure are presented and compared in this paper to experimental data for the cases with the smallest and largest liquid temperature stratification thickness.

phase change↗

NASA NTRS1985

Modelling of Laser-Enhanced Chemical Vapor Deposition

Research is directed at development of a detailed model of mass and heat transfer and chemical reaction in the pyrolysis of silane for the growth of thin amorphous silicon substrates incorporating laser heating of the gas phase above the film. The model will be the basis for evaluation of the relative importances of the decomposition of SiH4 in the vapor phase, mass transfer of the intermediate species, e.g., SiH2, and the evolution of hydrogen gas. Plans are also underway for developing a model for homogeneous nucleation of Si in the vapor phase to model the rate limitations observed at high gas-phase temperatures and high partial pressures of silane. Work was concentrated on an almost one-dimensional model for the coupling of the CO2 laser beam for heat transfer of the vapor phase with simple kinetic models for SiH4 decomposition and subsequent absorption of Si vapor on the substrate. Mass transfer in the vapor phase is assumed to be solely by diffusion. The role of convection in the vapor phase caused by the large changes in density in and around the center of the laser beam will be analyzed to evaluate the potential of microgravity experiments for increasing the uniformity of the film and the deposition rate.

Brown, R. A.↗