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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 235 records · Page 13

Method and Apparatus for Predicting Unsteady Pressure and Flow Rate Distribution in a Fluid Network

A method and apparatus for analyzing steady state and transient flow in a complex fluid network, modeling phase changes, compressibility, mixture thermodynamics, external body forces such as gravity and centrifugal force and conjugate heat transfer. In some embodiments, a graphical user interface provides for the interactive development of a fluid network simulation having nodes and branches. In some embodiments, mass, energy, and specific conservation equations are solved at the nodes, and momentum conservation equations are solved in the branches. In some embodiments, contained herein are data objects for computing thermodynamic and thermophysical properties for fluids. In some embodiments, the systems of equations describing the fluid network are solved by a hybrid numerical method that is a combination of the Newton-Raphson and successive substitution methods.

Majumdar, Alok K.↗

An observational study of stratocumulus entrainment and thermodynamics

The stratocumulus (SC) entrainment and thermodynamics are studied using data from the Dynamics and Chemistry of Marine Stratocumulus (DYCOMS) experiment. The rate of entrainment of air from the free troposphere into the cloud-topped PBL is estimated using a technique based on the measurement of ozone flux and mean distribution. The average measured value of entrainment rate was found to be 3.0 mm/s with a range of 1.0 to 5.0 mm/s for cloudy cases. Thermodynamic budgets are constructed for eight DYCOMS cases. It was found that the divergence of the solar radiative flux is an important component of the boundary-layer energetics during midday, the factor which must be accounted for in mixed-layer models. The net longwave radiative flux profiles show good agreement with theoretical models, but an unambiguous partitioning of the flux divergence between inversion and mixed layers could not be established.

Kawa, S. R.↗

Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications II. Users Manual and Program Description: Users Manual and Program Description - 2

This users manual is the second part of a two-part report describing the NASA Lewis CEA (Chemical Equilibrium with Applications) program. The program obtains chemical equilibrium compositions of complex mixtures with applications to several types of problems. The topics presented in this manual are: (1) details for preparing input data sets; (2) a description of output tables for various types of problems; (3) the overall modular organization of the program with information on how to make modifications; (4) a description of the function of each subroutine; (5) error messages and their significance; and (6) a number of examples that illustrate various types of problems handled by CEA and that cover many of the options available in both input and output. Seven appendixes give information on the thermodynamic and thermal transport data used in CEA; some information on common variables used in or generated by the equilibrium module; and output tables for 14 example problems. The CEA program was written in ANSI standard FORTRAN 77. CEA should work on any system with sufficient storage. There are about 6300 lines in the source code, which uses about 225 kilobytes of memory. The compiled program takes about 975 kilobytes.

McBride, Bonnie J.↗

Compressed gas handbook

Handbook includes thermodynamic and related fluid flow data required to analyze high pressure compressible and incompressible fluid systems. Some theory and applications include thermodynamic fundamentals, gas behavior, adiabatic and isentropic flow, shock waves, flow measurement, and adiabatic and isothermal friction flow in pipes.

Cota, R. A.↗

Machine Learning the COSMO Model for Predicting Thermodynamics of Electrolyte Mixtures

Bottom-up design of electrolyte mixtures for battery systems requires predicting macro thermodynamic properties from molecular constituents. For instance, molten salt electrolyte batteries require conditions far above room temperature to operate. Therefore, discovering mixtures with increasingly lower eutectic melting points is desirable. A model that can approximate chemical activity is a valuable tool to search through the vast compositional design space. Machine learning can predict properties of materials such as vibrational free energies, electronic energy gaps, and thermal conductivities. Moreover, they can learn physical models such as interatomic potentials. The COSMO-SAC model uses theory and empirical parameterization to predict liquid-vapor and liquid-solid properties using first-principles calculations. However, obtaining activity coefficients required for parameterizing the COSMO-SAC model is costly and limited to a select chemical space. In this work, we explored if machine learning methods could improve the COSMO-SAC model and bridge density functional theory calculations to liquid phase thermodynamic properties. Our data-driven approach uses existing databases for sigma-profiles of organic solvents and reconciles their methodological differences via ensemble averaging. First, an optimal machine learning model is constructed for each dataset. Our machine learning algorithms use the sigma-profile as an input feature to predict binary mixtures' activity coefficients using multi-output regression. Each dataset uses different choices of functionals, methods, and basis sets. Therefore, our ensemble model attempts to predict corrected activity coefficients given the combination of all the model outputs. The activity coefficients used for training are generated using the COSMO-SAC model. This approach enables the extraction of meaningful information from the existing datasets to improve the COSMO-SAC model for obtaining thermodynamic properties of electrolyte mixtures. With the liquid phase activities, we can identify electrolyte mixtures that meet desired phase equilibria conditions.

Thermodynamics↗

Computer codes for the evaluation of thermodynamic properties, transport properties, and equilibrium constants of an 11-species air model

The computer codes developed provide data to 30000 K for the thermodynamic and transport properties of individual species and reaction rates for the prominent reactions occurring in an 11-species nonequilibrium air model. These properties and the reaction-rate data are computed through the use of curve-fit relations which are functions of temperature (and number density for the equilibrium constant). The curve fits were made using the most accurate data believed available. A detailed review and discussion of the sources and accuracy of the curve-fitted data used herein are given in NASA RP 1232.

Thompson, Richard A.↗

Handbook on thermophysical properties of oxygen

Handbook has been compiled by Cryogenic Data Center of National Bureau of Standards. It covers thermodynamic functions, physical properties, and heat transfer data for oxygen. Handbook addresses primarily low temperature regime, but also includes some data above room temperature.

Roder, H. M.↗

A program for computing shock-tube gas dynamic properties

Computer program calculates thermodynamic properties from basic spectroscopic data. Program capacity is a mixture of 100 different species composed of ten different elements. The output is a complete thermodynamic and chemical description of the gas.

Horton, T. E.↗

Computer program for calculation of thermodynamic and transport properties of complex chemical systems

Program performs calculations such as chemical equilibrium for assigned thermodynamic states, theoretical rocket performance for both equilibrium and frozen compositions during expansion, incident and reflected shock properties, and Chapman-Jouget detonation properties. Features include simplicity of input and storage of all thermodynamic and transport property data on master tape.

Svehla, R. A.↗

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

Hunt, J. L.↗

Modeling the complete Otto cycle: Preliminary version

A description is given of the equations and the computer program being developed to model the complete Otto cycle. The program incorporates such important features as: (1) heat transfer, (2) finite combustion rates, (3) complete chemical kinetics in the burned gas, (4) exhaust gas recirculation, and (5) manifold vacuum or supercharging. Changes in thermodynamic, kinetic and transport data as well as model parameters can be made without reprogramming. Preliminary calculations indicate that: (1) chemistry and heat transfer significantly affect composition and performance, (2) there seems to be a strong interaction among model parameters, and (3) a number of cycles must be calculated in order to obtain steady-state conditions.

Zeleznik, F. J.↗

Modeling the complete Otto cycle - Preliminary version

A description is given of the equations and the computer program being developed to model the complete Otto cycle. The program incorporates such important features as: (1) heat transfer, (2) finite combustion rates, (3) complete chemical kinetics in the burned gas, (4) exhaust gas recirculation, and (5) manifold vacuum or supercharging. Changes in thermodynamic, kinetic and transport data as well as model parameters can be made without reprogramming. Preliminary calculations indicate that: (1) chemistry and heat transfer significantly affect composition and performance, (2) there seems to be a strong interaction among model parameters, and (3) a number of cycles must be calculated in order to obtain steady-state conditions.

Zeleznik, F. J.↗

Process feasibility study in support of silicon material task 1

Results for process system properties, chemical engineering and economic analyses of the new technologies and processes being developed for the production of lower cost silicon for solar cells are presented. Analyses of process system properties are important for chemical materials involved in the several processes under consideration for semiconductor and solar cell grade silicon production. Major physical, thermodynamic and transport property data are reported for silicon source and processing chemical materials.

Yaws, C. L.↗

Theoretical prediction of phase relationships in planetary mantles

Thermodynamic and phase equilibrium data are used to generate an internally consistent set of enthalpies and entropies for important components of the CaO-MgO-Al2O3-SiO2 (CMAS) system in silica-undersaturated compositions. The addition of Na and Fe(2+) to the CMAS system produces shifts in the plagioclase, spinel and garnet stability fields. While the Morgan and Anders (1979) model Martian composition has stability fields of plagioclase and garnet lherzolite, and a small spinel lherzolite field at temperatures below 900 C, the Martian mantle composition of McGetchin and Smyth (1978) would not contain orthopyroxene, and a low pressure assemblage of plagioclase-spinel wehrlite would be replaced by garnet-spinel wehrlite at higher pressure. In both cases, the Fe-Mg ratio would be substantially greater than that found in primitive terrestrial basalts.

Wood, B. J.↗

Homogeneous crystal nucleation in binary metallic melts

A method for calculating the homogeneous crystal nucleation frequency in binary metallic melts is developed. The free energy of crystallization is derived from regular solution models for the liquid and solid and is used, together with model-based estimates of the interfacial tension, to calculate the nucleation frequency from the classical theory. The method can account for the composition dependence of the maximum undercooling observed in a number of experiments on small droplet dispersions. It can also be used to calculate the driving force for crystal growth and to obtain more precise estimates of the homogeneous crystal nucleation frequency in glass-forming alloys. This method, although approximate, is simple to apply, and requires only knowledge of the phase diagram and a few readily available thermodynamic quantities as input data.

Thompson, C. V.↗

Solar Thermal Upper Stage Liquid Hydrogen Pressure Control Testing

High-energy cryogenic propellant is an essential element in future space exploration programs. Therefore, NASA and its industrial partners are committed to an advanced development/technology program that will broaden the experience base for the entire cryogenic fluid management community. Furthermore, the high cost of microgravity experiments has motivated NASA to establish government/aerospace industry teams to aggressively explore combinations of ground testing and analytical modeling to the greatest extent possible, thereby benefitting both industry and government entities. One such team consisting of ManTech SRS, Inc., Edwards Air Force Base, and Marshall Space Flight Center (MSFC) was formed to pursue a technology project designed to demonstrate technology readiness for an SRS liquid hydrogen (LH2) in-space propellant management concept. The subject testing was cooperatively performed June 21-30, 2000, through a partially reimbursable Space Act Agreement between SRS, MSFC, and the Air Force Research Laboratory. The joint statement of work used to guide the technical activity is presented in appendix A. The key elements of the SRS concept consisted of an LH2 storage and supply system that used all of the vented H2 for solar engine thrusting, accommodated pressure control without a thermodynamic vent system (TVS), and minimized or eliminated the need for a capillary liquid acquisition device (LAD). The strategy was to balance the LH2 storage tank pressure control requirements with the engine thrusting requirements to selectively provide either liquid or vapor H2 at a controlled rate to a solar thermal engine in the low-gravity environment of space operations. The overall test objective was to verify that the proposed concept could enable simultaneous control of LH2 tank pressure and feed system flow to the thruster without necessitating a TVS and a capillary LAD. The primary program objectives were designed to demonstrate technology readiness of the SRS concept at a system level as a first step toward actual flight vehicle demonstrations. More specific objectives included testing the pressure and feed control system concept hardware for functionality, operability, and performance. Valuable LH2 thermodynamic and fluid dynamics data were obtained for application to both the SRS concept and to future missions requiring space-based cryogen propellant management.

Moore, J. D.↗

An equation of state for oxygen and nitrogen

Recent measurements of thermodynamic properties of oxygen and nitrogen have provided data necessary for development of a single equation of state for both fluids. Data are available in summary report and two-part detailed study on thermodynamic properties of oxygen and nitrogen. Same data are used to develop vapor-pressure equation and heat-capacity equation.

Jacobsen, R. T.↗