Numerical procedures for calculating real fluid properties of normal and parahydrogen
Numerical procedures and computer program for calculating real fluid and thermodynamic properties of normal and parahydrogen
Goldberg, F. N.↗
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Results for “thermodynamics of computing”
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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Analysis of a combined refrigerator-generator space power system
Description of a single-shaft and a two-shaft rotating machinery arrangements using neon for application in a combined refrigerator-generator power system for space missions. The arrangements consist of combined assemblies of a power turbine, alternator, compressor, and cry-turbine with a single-stage radial-flow design. A computer program was prepared to study the thermodynamics of the dual system in the evaluation of its cryocooling/electric capacity and appropriate weight. A preliminary analysis showed that a two-shaft arrangement of the power- and refrigeration-loop rotating machinery provided better output capacities than a single-shaft arrangement, without prohibitive operating compromises.
Klann, J. L.↗
A thermochemical data bank for cycle analysis
The use of a computer program PAC-2 to produce a thermodynamic data bank for various materials used in water splitting cycles is described. The sources of raw data and a listing of 439 materials for which data are available are presented. The use of the data bank in conjunction with two other programs, CEC-72 and HYDRGN, is also discussed. The integration of these three programs implement an evaluation procedure for thermochemical water splitting cycles. CEC-72 is a program used to predict the equilibrium composition of the various chemical reactions in the cycle. HYDRGN is a program which is used to calculate changes in thermodynamic properties, work of separation, amount of recycle, internal heat regeneration, total thermal energy, and process thermal efficiency for a thermochemical cycle.
Carty, R. H.↗
A thermochemical data bank for cycle analysis
The use of the computer program PAC-2 to produce a thermodynamic data bank for various materials used in water-splitting cycles is described. The sources of raw data and a listing of 439 materials for which data are presently available are presented. This paper also discusses the use of the data bank in conjunction with two other programs, CEC-72 and HYDRGN. The integration of these three programs implement an evaluation procedure for thermochemical water splitting cycles. CEC-72 is a program used to predict the equilibrium composition of the various chemical reactions in the cycle. HYDRGN is a program which is used to calculate changes in thermodynamic properties, work of separation, amount of recycle, internal heat regeneration, total thermal energy and process thermal efficiency for a thermochemical cycle.
Carty, R.↗
Prediction of Combustion Gas Deposit Compositions
Demonstrated procedure used to predict accurately chemical compositions of complicated deposit mixtures. NASA Lewis Research Center's Computer Program for Calculation of Complex Chemical Equilibrium Compositions (CEC) used in conjunction with Computer Program for Calculation of Ideal Gas Thermodynamic Data (PAC) and resulting Thermodynamic Data Base (THDATA) to predict deposit compositions from metal or mineral-seeded combustion processes.
Kohl, F. J.↗
A non-linear viscoelastic characterisation method for matrix resin composites
Lifetime prediction of matrix resin composites is an important problem because of their viscoelastic character. If the Time-Temperature-Stress-Superposition principle is valid, results from short time tests at high stress levels can give the necessary information for the prediction of long time behavior. At such stress levels the viscoelastic response is nonlinear. In this contribution the basis of a computer routine is presented starting from a thermodynamical formulation given by Schapery. This method gives in an accurate way the different material parameters in that nonlinear constitutive equation for different stresses and temperatures.
Hiel, C. C.↗
A Thermodynamic Study of the Turbojet Engine
Charts are presented for computing thrust, fuel consumption, and other performance values of a turbojet engine for any given set of operating conditions and component efficiencies. The effects of pressure losses in the inlet duct and the combustion chamber, of variation in physical properties of the gas as it passes through the system, of reheating of the gas due to turbine losses, and of change in mass flow by the addition of fuel are included. The principle performance chart shows the effects of primary variables and correction charts provide the effects of secondary variables and of turbine-loss reheat on the performance of the system. The influence of characteristics of a given compressor and turbine on performance of a turbojet engine containing a matched set of these given components is discussed for cases of an engine with a centrifugal-flow compressor and of an engine with an axial-flow compressor.
Pinkel, Benjamin↗
Increasing Precision Of Temperature Sensors Of Liquid H2
Commercial silicon-diode temperature sensors intended for use in boiling or nearly boiling liquid hydrogen at temperatures near 37 degrees R recalibrated to greater precision by method involving careful attention to details of design, operation, and computation. Method based on fundamental electrical and thermodynamic principles and good engineering practice, also applicable to recalibration of other temperature sensors intended for use in other boiling or nearly boiling liquids.
Dempsey, Paula J.↗
Computational Materials Research
Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.
Hinkley, Jeffrey A.↗
Glycolonitrile oligomerization: structure of isolated oxazolines, potential heterocycles on the early earth
A study of glycolonitrile polymerization has led to the isolation and characterization of two 2,5-dihydro-4-aminooxazoles, 4 and 5. Previous reports have misassigned these structures as s-triazines or pyrimidines. X-ray diffraction analysis of crystals of 4 and an acetylated oxazole derivative of 5 (6) confirm the proposed structures. Ab initio computations are used to assess the relative thermodynamic stability of three trimer isomers (an s-triazine, an aminohydroxypyrimidine, and an aminooxazoline), and the results indicate that 4 is a novel kinetic product. Mechanistic considerations rationalize kinetic oxazole formation over the more customary triazine or pyrimidine trimers.
Non-NASA Center↗
Modeling the Chromosphere and Transition Region of Planet-hosting Star GJ 436
Ahead of upcoming space missions intending to conduct observations of low-mass stars in the ultraviolet (UV) spectral region it becomes imperative to simultaneously conduct atmospheric modeling from the UV to the visible (VIS) and near-infrared (NIR). Investigations on extended spectral regions will help to improve the overall understanding of the diversity of spectral lines arising from very different atmospheric temperature regions. Here we investigate atmosphere models with a chromosphere and transition region for the M2.5V star GJ 436, which hosts a close-in Hot Neptune. The atmosphere models are guided by observed spectral features from the UV to the VIS/NIR originating in the chromosphere and transition region of GJ 436. High-resolution observations from the Hubble Space Telescope and Calar Alto high-Resolution search for M dwarfs with Exo-earths with Near-infrared and optical Echelle Spectrographs (CARMENES) are used to obtain an appropriate model spectrum for the investigated M dwarf. We use a large set of atomic species considered in nonlocal thermodynamic equilibrium conditions within our PHOENIX model computations to approximate the physics within the low-density atmospheric regions. In order to obtain an overall match for the nonsimultaneous observations, it is necessary to apply a linear combination of two model spectra, where one of them better reproduces the UV lines while the other better represents the lines from the VIS/NIR range. This is needed to adequately handle different activity states across the observations.
stars↗
Phase equilibrium of methane and nitrogen at low temperatures - Application to Titan
Since the vapor phase composition of Titan's methane-nitrogen lower atmosphere is uniquely determined as a function of the Gibbs phase rule, these data are presently computed via integration of the Gibbs-Duhem equation. The thermodynamic consistency of published measurements and calculations of the vapor phase composition is then examined, and the saturated mole fraction of gaseous methane is computed as a function of altitude up to the 700-mbar level. The mole fraction is found to lie approximately halfway between that computed from Raoult's law, for a gas in equilibrium with an ideal solution of liquid nitrogen and methane, and that for a gas in equilibrium with pure liquid methane.
Kouvaris, Louis C.↗
Approaches to Cycle Analysis and Performance Metrics
The following notes were prepared as part of an American Institute of Aeronautics and Astronautics (AIAA) sponsored short course entitled Air Breathing Pulse Detonation Engine (PDE) Technology. The course was presented in January of 2003, and again in July of 2004 at two different AIAA meetings. It was taught by seven instructors, each of whom provided information on particular areas of PDE research. These notes cover two areas. The first is titled Approaches to Cycle Analysis and Performance Metrics. Here, the various methods of cycle analysis are introduced. These range from algebraic, thermodynamic equations, to single and multi-dimensional Computational Fluid Dynamic (CFD) solutions. Also discussed are the various means by which performance is measured, and how these are applied in a device which is fundamentally unsteady. The second topic covered is titled PDE Hybrid Applications. Here the concept of coupling a PDE to a conventional turbomachinery based engine is explored. Motivation for such a configuration is provided in the form of potential thermodynamic benefits. This is accompanied by a discussion of challenges to the technology.
Parson, Daniel E.↗
A stirling engine computer model for performance calculations
To support the development of the Stirling engine as a possible alternative to the automobile spark-ignition engine, the thermodynamic characteristics of the Stirling engine were analyzed and modeled on a computer. The modeling techniques used are presented. The performance of an existing rhombic-drive Stirling engine was simulated by use of this computer program, and some typical results are presented. Engine tests are planned in order to evaluate this model.
Tew, R.↗
Designing Molten Salt Eutectics: A Combined Thermodynamic Modeling and Machine Learning Approach
Designing stable electrolytes with target properties is an important challenge in realizing next generation energy storage devices. Molten salt eutectics-based electrolytes are known for their stability with minimal parasitic reactions when compared to traditional organic electrolytes and are an attractive option for different battery chemistries. The operating temperature of the molten salt batteries depends on the melting temperature of the eutectic and hence there is a necessity to discover novel low melting temperature molten salt eutectic mixtures for energy storage applications. In this work we develop a high throughput computational screening approach for molten salt mixtures using thermodynamic modeling and machine learning (ML). COSMO-SAC model and ML approaches were independently developed based on the existing experimental data and these models were further used to predict the eutectic melting temperature and composition of several new binary, ternary, and quaternary mixtures. We show that combining ML and thermodynamic modeling strategies is effective in exploring the vast design space of molten salt mixtures.
Thermodynamics↗
Thermodynamics of silicon nitridation - Effect of hydrogen
Equilibrium compositions for the nitridization of Si were calculated to detect the effectiveness of H2 in removal of the oxide film and in increasing the concentration of SiO and reducing the proportions of O2. Gibbs free energy for the formation of SiN2O was computed above 1685 K, and at lower temperatures. The thermodynamic properties of SiN2O2 were then considered from 1000-3000 K, taking into account the known thermodynamic data for 39 molecular combinations of the Si, Ni, and O. The gases formed were assumed ideal mixtures with pure phase condensed species. The mole fractions were obtained for a system of SiO2 with each Si particle covered with a thin layer of SiO2 before nitridation, and a system in which the nitriding atmosphere had access to the Si. The presence of H2 was determined to enhance the removal of NiO2 in the first system, decrease the partial pressure of O2, increase the partial pressures of SiO, Si, H2O, NH3, and SiH4, while its effects were negligible in the Si system.
Shaw, N. J.↗
Polynomial coefficients of thermochemical data for the C-H-O-N system
Thermodynamic data are required input for the finite kinetics and equilibrium computer programs needed for modeling the combustion of hydrocarbons in the fields of energy and pollution research. Least squares determined coefficients of the curve-fitted thermodynamic data for 193 species in the C-H-O-N system are presented in card image form and are of suitable format for use by common computer programs.
Wakelyn, N. T.↗
Computer program for design-point performance of turbojet and turbofan engine cycles
Fortran 7094 computer program for calculation of design point performance of turbojet and turbofan engine cycles, and thermodynamic equations
THERMODYNAMICS↗