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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Physiological Response of Plants Grown on Porous Ceramic Tubes

This research involves the manipulation of the root-zone water potential for the purposes of discriminating the rate limiting step in the inorganic nutrient uptake mechanism utilized by higher plants. This reaction sequence includes the pathways controlled by the root-zone conditions such as water tension and gradient concentrations. Furthermore, plant based control mechanisms dictated by various protein productions are differentiated as well. For the nutrients limited by the environmental availability, the kinetics were modeled using convection and diffusion equations. Alternatively, for the nutrients dependent upon enzyme manipulations, the uptakes are modeled using Michaelis-Menten kinetics. In order to differentiate between these various mechanistic steps, an experimental apparatus known as the Porous Ceramic Tube - Nutrient Delivery System (PCT-NDS) was used. Manipulation of the applied suction pressure circulating a nutrient solution through this system imposes a change in the matric component of the water potential. This compensates for the different osmotic components of water potential dictated by nutrient concentration. By maintaining this control over the root-zone conditions, the rate limiting steps in the uptake of the essential nutrients into tomato plants (Lycopersicon esculentum cv. Cherry Elite) were differentiated. Results showed that the uptake of some nutrients were mass transfer limited while others were limited by the enzyme kinetics. Each of these were adequately modeled with calculations and discussions of the parameter estimations provided.

Tsao, David↗
NASA NTRS1988

Two puzzling aspects of protein crystal growth

A study is presented of several mechanisms which may reduce crystal growth rates and or terminate crystal growth. It is found that salt gradients which change the local chemical potential of the protein are insufficient to account for the slow crystal growth rates which have been reported. Contaminants which adsorb protein from solution may reduce the effective protein concentration, but the impurity's concentration and its affinity for protein are unknown. Association of protein molecules in bulk solution can reduce the monomer concentration significantly, but extant theory and experiment are not sensitive enough to determine the actual concentration of aggregates in solution. For systems of interest, shear-induced effects were found to be too weak to interfere with normal binding of incoming protein molecules. Although we found that most crystal growth occurs in a regime where both interfacial kinetics and diffusion influence crystal growth, the role of mass transfer rates on the terminal size of crystals is unknown, primarily because no data exist which cover the size range of interest (0.1 mm to 1 mm in length).

Grant, M. L.↗
NASA NTRS1987

Effect of structure on current and potential distributions in porous electrode

Porous electrodes generally contain constricted macropores and localized micropores. The effects of the macropore constrictions on the resistance of a capillary were studied and an analytical model was developed for predicting the current distribution in a constricted macropore which directly includes constriction effects and does not require an empirical tortuosity parameter. The current and concentration distributions in localized micropores were also investigated and it was shown that the microporous area is fully accessible to charge and mass transfer processes. From these analyses it was concluded that the micropores primarily affect the kinetics of the interfacial processes by contributing to the interfacial area, while the macropores impose ohmic and mass transport limitations through the volume of the porous electrode.

Lanzi, Oscar↗
NASA NTRS1979

Development of a model and computer code to describe solar grade silicon production processes

Two computer codes were developed for describing flow reactors in which high purity, solar grade silicon is produced via reduction of gaseous silicon halides. The first is the CHEMPART code, an axisymmetric, marching code which treats two phase flows with models describing detailed gas-phase chemical kinetics, particle formation, and particle growth. It can be used to described flow reactors in which reactants, mix, react, and form a particulate phase. Detailed radial gas-phase composition, temperature, velocity, and particle size distribution profiles are computed. Also, deposition of heat, momentum, and mass (either particulate or vapor) on reactor walls is described. The second code is a modified version of the GENMIX boundary layer code which is used to compute rates of heat, momentum, and mass transfer to the reactor walls. This code lacks the detailed chemical kinetics and particle handling features of the CHEMPART code but has the virtue of running much more rapidly than CHEMPART, while treating the phenomena occurring in the boundary layer in more detail.

Gould, R. K.↗
NASA NTRS2007

Transient Numerical Modeling of Catalytic Channels

This paper presents a transient model of catalytic combustion suitable for isolated channels and monolith reactors. The model is a lumped two-phase (gas and solid) model where the gas phase is quasi-steady relative to the transient solid. Axial diffusion is neglected in the gas phase; lateral diffusion, however, is accounted for using transfer coefficients. The solid phase includes axial heat conduction and external heat loss due to convection and radiation. The combustion process utilizes detailed gas and surface reaction models. The gas-phase model becomes a system of stiff ordinary differential equations while the solid phase reduces, after discretization, into a system of stiff ordinary differential-algebraic equations. The time evolution of the system came from alternating integrations of the quasi-steady gas and transient solid. This work outlines the numerical model and presents some sensitivity studies on important parameters including internal transfer coefficients, catalytic surface site density, and external heat-loss (if applicable). The model is compared to two experiments using CO fuel: (1) steady-state conversion through an isothermal platinum (Pt) tube and (2) transient propagation of a catalytic reaction inside a small Pt tube. The model requires internal mass-transfer resistance to match the experiments at lower residence times. Under mass-transport limited conditions, the model reasonably predicted exit conversion using global mass-transfer coefficients. Near light-off, the model results did not match the experiment precisely even after adjustment of mass-transfer coefficients. Agreement improved for the first case after adjusting the surface kinetics such that the net rate of CO adsorption increased compared to O2. The CO / O2 surface mechanism came from a sub-set of reactions in a popular CH4 / O2 mechanism. For the second case, predictions improved for lean conditions with increased external heat loss or adjustment of the kinetics as in the first case. Finally, the results show that different initial surface-species distribution leads to different steady-states under certain conditions. These results demonstrate the utility of a lumped two-phase model of a transient catalytic combustor with detailed chemistry.

Struk, Peter M.↗
NASA NTRS2013

Galactic Cosmic Ray Event-Based Risk Model (GERM) Code

This software describes the transport and energy deposition of the passage of galactic cosmic rays in astronaut tissues during space travel, or heavy ion beams in patients in cancer therapy. Space radiation risk is a probability distribution, and time-dependent biological events must be accounted for physical description of space radiation transport in tissues and cells. A stochastic model can calculate the probability density directly without unverified assumptions about shape of probability density function. The prior art of transport codes calculates the average flux and dose of particles behind spacecraft and tissue shielding. Because of the signaling times for activation and relaxation in the cell and tissue, transport code must describe temporal and microspatial density of functions to correlate DNA and oxidative damage with non-targeted effects of signals, bystander, etc. These are absolutely ignored or impossible in the prior art. The GERM code provides scientists data interpretation of experiments; modeling of beam line, shielding of target samples, and sample holders; and estimation of basic physical and biological outputs of their experiments. For mono-energetic ion beams, basic physical and biological properties are calculated for a selected ion type, such as kinetic energy, mass, charge number, absorbed dose, or fluence. Evaluated quantities are linear energy transfer (LET), range (R), absorption and fragmentation cross-sections, and the probability of nuclear interactions after 1 or 5 cm of water equivalent material. In addition, a set of biophysical properties is evaluated, such as the Poisson distribution for a specified cellular area, cell survival curves, and DNA damage yields per cell. Also, the GERM code calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle in a selected material. The GERM code makes the numerical estimates of basic physical and biophysical quantities of high-energy protons and heavy ions that have been studied at the NASA Space Radiation Laboratory (NSRL) for the purpose of simulating space radiation biological effects. In the first option, properties of monoenergetic beams are treated. In the second option, the transport of beams in different materials is treated. Similar biophysical properties as in the first option are evaluated for the primary ion and its secondary particles. Additional properties related to the nuclear fragmentation of the beam are evaluated. The GERM code is a computationally efficient Monte-Carlo heavy-ion-beam model. It includes accurate models of LET, range, residual energy, and straggling, and the quantum multiple scattering fragmentation (QMSGRG) nuclear database.

Cucinotta, Francis A.↗
NASA NTRS1990

Near-wall turbulence model and its application to fully developed turbulent channel and pipe flows

A near-wall turbulence model and its incorporation into a multiple-timescale turbulence model are presented. The near-wall turbulence model is obtained from a k-equation turbulence model and a near-wall analysis. In the method, the equations for the conservation of mass, momentum, and turbulent kinetic energy are integrated up to the wall, and the energy transfer and the dissipation rates inside the near-wall layer are obtained from algebraic equations. Fully developed turbulent channel and pipe flows are solved using a finite element method. The computational results compare favorably with experimental data. It is also shown that the turbulence model can resolve the overshoot phenomena of the turbulent kinetic energy and the dissipation rate in the region very close to the wall.

Kim, S.-W.↗
NASA NTRS1992

Simulation of triglycine sulfate crystal growth in space

Consideration is given to the numerical simulation of the solution growth of triglycine sulfate in space, with heat transfer, mass transfer, buoyancy-driven convection, the dependence of solubility on temperature, and finite interface kinetics taken into account. In the bulk solution, weak thermal convection was established quickly. The thermal convection then becomes dominated by solutionally driven motion. The convection due to the steady background g is predicted to influence both the growth rate and the crystal morphology. The time required for buoyancy-driven convection to influence the growth rate depends on the magnitude of g, i.e., more time for smaller g. Under the same cooling condition, the average growth rate increases as the magnitude of g increases. A steady average growth rate of 1.0 mm/d can be obtained when a properly designed cooling rate is applied to the sting. The most uniform growth is obtained when the g vector is aligned such that the solution flows normal towards the center of the crystal surface.

Sun, Jianhua↗
NASA NTRSDate not supplied

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between liquid and vapor phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures, temperatures, and pressurant requirements agree with experimental data, with pressurant mass predictions within 16\% of observed values. This study highlights the importance of selecting appropriate turbulence models to accurately simulate complex flow and heat transfer phenomena during tank pressurization and expulsion. By enhancing the accuracy and reliability of CFD models for liquid hydrogen under cryogenic conditions, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗
NASA NTRSDate not supplied

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase computational fluid dynamics (CFD) model for simulating autogenous pressurization and expulsion in a cryogenic liquid hydrogen storage tank, utilizing a volume-of-fluid (VOF) approach combined with the kinetics-based Schrage equation to accurately capture the phase boundary and interfacial heat, mass, and momentum transfer between vapor and liquid phases. The model is validated against experimental data from NASA's K-site tank facility, specifically experimental case 225, which involved autogenous pressurization and controlled expulsion of liquid hydrogen. Various turbulence models are evaluated to assess their influence on model accuracy. The CFD simulations successfully replicate key thermodynamic behaviors observed during the experiments, including pressure evolution, temperature profiles, and phase-change dynamics at the vapor-liquid interface. The predicted tank pressures and temperatures agree well with experimental data, whereas the pressurant mass predictions are within 16% of observed values. This study emphasizes the importance of selecting appropriate turbulence models to accurately simulate the complex flow and heat transfer phenomena during tank autogenous pressurization and expulsion. By improving the accuracy and reliability of CFD models for these processes, this research contributes to developing efficient cryogenic propellant management strategies for future space missions.

Computational Fluid Dynamics↗
NASA NTRS1990

The impedance of a tubular electrode - A model for a porous electrode

A cylindrical tube is used as the basis for a two-dimensional mathematical model to calculate the impedance of a flooded porous electrode. The model incorporates charge-transfer, mass-transfer, and ohmic resistances to obtain the axial and radial dependencies of the concentration and potential profiles. A linearized Butler-Volmer kinetic expression for a simple redox reaction O + e yielding R is used, in conjuction with analytical expressions for the surface concentration and overpotential, to compute the open-circuit impedance. The results of the two-dimensional model, which omits double-layer charging, are compared with the results of a more standardly applied one-dimensional model in which radial variations are neglected, with and without double-layer charging. The simpler-to-apply one-dimensional model is found to be satisfactory when mass-transfer and ohmic resistances are small with respect to charge-transfer resistance. The omission of double-layer charging does not introduce error into the two-dimensional model in the frequency range in which capacitive-like effects are caused by mass-transfer limitations.

Viner, Andrew S.↗
NASA NTRSDate not supplied

Probing Sensitivity of Discharge Characteristics to Model Selection using Uncertainty Quantification in an aprotic Li-Oxygen Battery

Currently, there are several models in the literature, such as kinetic models, microstructural models, and mass transport models that describe a Li-air battery's discharge behavior. Many of these models are calibrated and tested at low current densities and cannot be easily transferred to high current densities. Even at low current densities, there is no quantitative method for a researcher to choose a reaction kinetic model such as classical Butler-Volmer and its derivatives, and modified Marcus-Hush-Chidsey, a resistance model for lithium peroxide such as electron transport via tunneling or linear resistivity, a surface coverage model (lithium peroxide growth) such as partial coverage or full coverage, and mass transport model (discussed in Ref. [1]). Also, it is time-consuming to test different models at high current density (1C) due to a lack of well-tested models and well-calibrated model parameters. For this presentation, we will develop an analytical model, which acts as a surrogate model for a sophisticated finite element model to predict discharge time and discharge voltage. Next, we use an uncertainty quantifying technique called reduced-order stochastic optimization [2, 3] to determine the uncertainty in model parameters for rate kinetics, lithium peroxide resistivity, and parasitic resistance. Finally, a finite element simulation is performed to determine the error introduced by the surrogate model and its influence on the uncertainty in the model parameters.

M Mehta↗
NASA NTRS1988

A near-wall turbulence model and its application to fully developed turbulent channel and pipe flows

A near wall turbulence model and its incorporation into a multiple-time-scale turbulence model are presented. In the method, the conservation of mass, momentum, and the turbulent kinetic energy equations are integrated up to the wall; and the energy transfer rate and the dissipation rate inside the near wall layer are obtained from algebraic equations. The algebraic equations for the energy transfer rate and the dissipation rate inside the near wall layer were obtained from a k-equation turbulence model and the near wall analysis. A fully developed turbulent channel flow and fully developed turbulent pipe flows were solved using a finite element method to test the predictive capability of the turbulence model. The computational results compared favorably with experimental data. It is also shown that the present turbulence model could resolve the over shoot phenomena of the turbulent kinetic energy and the dissipation rate in the region very close to the wall.

Kim, S.-W.↗
NASA NTRS2005

A Theoretical Investigation of Oxidation Efficiency of a Volatile Removal Assembly Reactor Under Microgravity Conditions

Volatile Removal Assembly (VRA) is a subsystem of the Closed Environment Life Support System (CELSS) installed in the International Space Station. It is used for removing contaminants (volatile organics) in the wastewater produced by the space station crews. The major contaminants are formic acid, ethanol, and propylene glycol. The VRA contains a slim packbed reactor (3.5 cm diameter and four 28 cm long tubes in series) to perform catalyst oxidation of wastewater at elevated pressure and temperature under microgravity conditions. In the reactor, the contaminants are burned with oxygen gas (O2) to form water and carbon dioxide (CO2) that dissolves in the water stream. Optimal design of the reactor requires a thorough understanding about how the reactor performs under microgravity conditions. The objective of this study was to develop a mathematical model to interpret experimental data obtained from normal and microgravity conditions, and to predict the performance of VRA reactor under microgravity conditions. Catalyst oxidation kinetics and the total oxygen-water contact area control the efficiency of catalyst oxidation for mass transfer, which depends on oxygen gas holdup and distribution in the reactor. The process involves bubbly flow in porous media with chemical reactions in microgravity environment. This presents a unique problem in fluid dynamics that has not been studied. Guo et al. (2004) developed a mathematical model that predicts oxygen holdup in the VRA reactor. No mathematical model has been found in the literature that can be used to predict the efficiency of catalyst oxidation under microgravity conditions.

Guo, Boyun↗
NASA NTRSDate not supplied

Validation of a Two-Phase CFD Model for Autogenous Pressurization and Expulsion

This paper presents a two-phase CFD model for tank pressurization and expulsion in a liquid hydrogen cryogenic storage tank. The model uses a Volume-of-Fluid approach combined with the Kinetics-based Schrage equation to capture the phase boundary and the associated interfacial heat, mass, and momentum transfer between the liquid and vapor regions. The CFD model is validated against expulsion data from the NASA K-Site tank experiment. Predicted tank pressures, temperatures, and pressurant requirements are compared with the experimental data to demonstrate the model’s accuracy.

Autogenous Pressurization↗
NASA NTRSDate not supplied

Modeling Self-Pressurization and Spray Bar Pressure Control of A Cryogenic Storage Tank in Normal Gravity

This paper presents computational fluid dynamics (CFD) models for simulating self-pressurization and spray-bar pressure control processes in a large-scale liquid hydrogen storage tank under normal gravity conditions. For self-pressurization, the model employs the kinetics-based Schrage equation alongside the volume-of-fluid (VOF) method to account for interfacial mass transfer. The CFD predictions of pressure and temperature are compared with experimental data from the Multipurpose Hydrogen Test Bed (MHTB) experiment, and the predicted interfacial mass transfer rates are also presented. A CFD model simulating pressure control using a spray bar has also been developed. An Eulerian-Lagrangian approach models the interactions between discrete droplets and the continuous ullage (vapor) phase. The spray model is coupled with the VOF method by tracking droplets in the ullage and removing them when they reach the liquid interface. The T-sat model calculates droplet-ullage heat and mass transfer, where droplets warm up to the saturation temperature corresponding to the ullage vapor pressure before evaporating while remaining at the saturation temperature. The evolution of tank pressure, vapor temperature, and liquid temperature predicted by the CFD model is validated against data from the MHTB spray-bar mixing experiment. Overall, the CFD models agree with experimental data, demonstrating their capability to simulate self-pressurization and pressure control processes in large-scale cryogenic storage tanks. These models can be valuable tools for designing and optimizing cryogenic fluid management systems in future applications.

Computational Fluid Dynamics↗
NASA NTRSDate not supplied

Modeling Self-Pressurization and Spray Bar Pressure Control of A Cryogenic Storage Tank in Normal Gravity

This paper presents computational fluid dynamics (CFD) models for simulating self-pressurization and spray-bar pressure control processes in a large-scale liquid hydrogen storage tank under normal gravity conditions. For self-pressurization, the model employs the kinetics-based Schrage equation alongside the volume-of-fluid (VOF) method to account for interfacial mass transfer. The CFD predictions of pressure and temperature are compared with experimental data from the Multipurpose Hydrogen Test Bed (MHTB) experiment, and the predicted interfacial mass transfer rates are also presented. A CFD model simulating pressure control using a spray bar has also been developed. An Eulerian-Lagrangian approach models the interactions between discrete droplets and the continuous ullage (vapor) phase. The spray model is coupled with the VOF method by tracking droplets in the ullage and removing them when they reach the liquid interface. The T-sat model calculates droplet-ullage heat and mass transfer, wherein droplets warm up to the saturation temperature corresponding to the ullage vapor pressure before evaporating while remaining at the saturation temperature. The evolution of tank pressure, vapor temperature, and liquid temperature predicted by the CFD model is validated against data from the MHTB spray-bar mixing experiment. Overall, the CFD models agree with experimental data, demonstrating their capability to simulate self-pressurization and pressure control processes in large-scale cryogenic storage tanks. These models can be valuable tools for designing and optimizing cryogenic fluid management systems in future applications.

Self-Pressurization↗
NASA NTRS1983

Sparger system for MMH-helium vents

Based on a calculated vent flow rate and MMH concentration, a TI-59 program was run to determine total sparger hole area for a given sparger inlet pressure. Hole diameter is determined from a mass transfer analysis in the holding tank to achieve complete capture of MMH. In addition, based on oxidation kinetics and vapor pressure data, MMh atmospheric concentrations are determined 2 ft above the holding tank.

Rakow, A.↗