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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

A viscoplastic theory with thermodynamic considerations

A thermodynamic foundation using the concept of internal state variables is given for a general theory of viscoplasticity for initially isotropic materials. Three fundamental, internal, state variables are admitted; they are: a tensorial back stress for kinematic effects, and scalar drag and yield strengths for isotropic effects. All three are considered to evolve phenomenologically according to competitive processes between strain hardening, deformation-induced dynamic recovery, and thermally induced static recovery. Within this phenomenological framework, a thermodynamically admissible set of evolution equations is proposed. The theory allows each of the three internal variables to be composed as a sum of independently evolving constituents. The evolution of internal state can also include terms that vary linearly with the external variable rates, whose presence affects the energy dissipation properties of a material.

Freed, A. D.↗
NASA NTRS1991

A viscoplastic theory with thermodynamic considerations

A thermodynamic foundation using the concept of internal state variables is given for a general theory of viscoplasticity for initially isotropic materials. Three, fundamental, internal, state variables are admitted; they are: a tensorial back stress for kinematic effects, and scalar drag and yield strengths for isotropic effects. All three are considered to evolve phenomenologically according to competitive processes between strain hardening, deformation induced dynamic recovery, and thermally induced static recovery. Within this phenomenological framework, a thermodynamically admissible set of evolution equations is proposed. The theory allows each of the three internal variables to be composed as a sum of independently evolving constituents. The evolution of internal state can also include terms that vary linearly with the external variable rates, whose presence affects the energy dissipation properties of a material.

Freed, A. D.↗
NASA NTRS1992

Vapor-liquid equilibrium thermodynamics of N2 + CH4 - Model and Titan applications

A thermodynamic model is presented for vapor-liquid equilibrium in the N2 + CH4 system, which is implicated in calculations of the Titan tropospheric clouds' vapor-liquid equilibrium thermodynamics. This model imposes constraints on the consistency of experimental equilibrium data, and embodies temperature effects by encompassing enthalpy data; it readily calculates the saturation criteria, condensate composition, and latent heat for a given pressure-temperature profile of the Titan atmosphere. The N2 content of condensate is about half of that computed from Raoult's law, and about 30 percent greater than that computed from Henry's law.

Thompson, W. R.↗
NASA NTRS1992

Computer program for calculating and fitting thermodynamic functions

A computer program is described which (1) calculates thermodynamic functions (heat capacity, enthalpy, entropy, and free energy) for several optional forms of the partition function, (2) fits these functions to empirical equations by means of a least-squares fit, and (3) calculates, as a function of temperture, heats of formation and equilibrium constants. The program provides several methods for calculating ideal gas properties. For monatomic gases, three methods are given which differ in the technique used for truncating the partition function. For diatomic and polyatomic molecules, five methods are given which differ in the corrections to the rigid-rotator harmonic-oscillator approximation. A method for estimating thermodynamic functions for some species is also given.

Mcbride, Bonnie J.↗
NASA NTRS1993

Effects of precipitation on the thermodynamic structure of the trade wind boundary layer

A model of the thermodynamic structure of the trade wind boundary layer is formulated to include the parameterization of precipitation in relatively shallow clouds. Although the area-averaged simulated precipitation rates are relatively small (less than 1 mm/day), the inclusion of precipitation has an appreciable effect on the predicted thermodynamic structure. The cloud layer structure simulated with precipitation is warmer, drier, and more stable than that simulated without precipitation. The simulated inversion height is lowered by as much as 60 mbar when precipitation is included.

Albrecht, Bruce A.↗
NASA NTRS1993

Specific heats and thermodynamic critical fields in Zn-doped YBa2Cu3O(7-x) according to an induced-pairing model

Electronic specific heats and thermodynamic critical fields are calculated in a mean-field version of an induced-pairing model for superconductivity, and compared with results of Loram et al. (1990) on YBa2(Cu(1-y)Zn(y))3O(7-x). This model involves induction of pairing of holes in a wideband by strongly bound electronlike pairs. It is assumed that the planar hole concentration for no Zn addition is close to, but slightly higher than, that for the maximum Tc, and that it increases by 0.015 per planar Cu ion for each increase of y by 0.01. Parameters of the model are taken to be the same as in a previous publication in which energy gaps were discussed, except that an effective hybridization parameter is adjusted for each Zn concentration to give agreement with the observed Tc. Results are presented for y = 0.0, 0.01, and 0.03. The agreement with experiment is good for thermodynamic critical fields, and is fair for specific heats. For specimens with larger y, with relatively low T(c)s, it is argued that the model should be supplemented to include effects of a BCS-type interaction amongst the wideband carriers.

Eagles, D. M.↗
NASA NTRS1958

A Review of the Thermodynamic, Transport, and Chemical Reaction Rate Properties of High-temperature Air

Thermodynamic and transport properties of high temperature air, and the reaction rates for the important chemical processes which occur in air, are reviewed. Semiempirical, analytic expressions are presented for thermodynamic and transport properties of air. Examples are given illustrating the use of these properties to evaluate (1) equilibrium conditions following shock waves, (2) stagnation region heat flux to a blunt high-speed body, and (3) some chemical relaxation lengths in stagnation region flow.

Hansen, C Frederick↗
NASA NTRS1958

Composition and Thermodynamic Properties of Air in Chemical Equilibrium

Charts have been prepared relating the thermodynamic properties of air in chemical equilibrium for temperatures to 15,000 degrees k and for pressures 10(-5) to 10 (plus 4) atmospheres. Also included are charts showing the composition of air, the isentropic exponent, and the speed of sound. These charts are based on thermodynamic data calculated by the National Bureau of Standards.

Moeckel, W E↗
NASA NTRS1993

The thermodynamic case for a water-rich Mars

The geologic evidence for a water-rich Mars has been reviewed, and it has been concluded that it is consistent with an outgassed inventory of H2O equivalent to global ocean 0.5-1 km deep. The most persuasive support for this conclusion comes from the martian outflow channels, whose distribution, size, and range of ages, suggests that a significant body of ground water was present on Mars throughout much of its geologic history. In this abstract, the thermodynamic implications of the outflow channels are considered. The results of this analysis suggest that if the outflow channels were carved by the discharge of ground water in diffusive and thermodynamic equilibrium with the overlying frozen crust, it implies a minimum planetary inventory of water in excess of 300 m. However, if the global inventory of ground water on Mars at the time of outflow channel formation was as high as the 500 m estimate of other researchers, then the total inventory of water on Mars could well exceed 750 m.

Clifford, Stephen M.↗
NASA NTRS1993

Systems analysis of a closed loop ECLSS using the ASPEN simulation tool. Thermodynamic efficiency analysis of ECLSS components

Our first goal in this project was to perform a systems analysis of a closed loop Environmental Control Life Support System (ECLSS). This pertains to the development of a model of an existing real system from which to assess the state or performance of the existing system. Systems analysis is applied to conceptual models obtained from a system design effort. For our modelling purposes we used a simulator tool called ASPEN (Advanced System for Process Engineering). Our second goal was to evaluate the thermodynamic efficiency of the different components comprising an ECLSS. Use is made of the second law of thermodynamics to determine the amount of irreversibility of energy loss of each component. This will aid design scientists in selecting the components generating the least entropy, as our penultimate goal is to keep the entropy generation of the whole system at a minimum.

Chatterjee, Sharmista↗
NASA NTRS1993

A thermodynamic analysis of propagating subcritical cracks with cohesive zones

The results of the so-called energetic approach to fracture with particular attention to the issue of energy dissipation due to crack propagation are applied to the case of a crack with cohesive zone. The thermodynamic admissibility of subcritical crack growth (SCG) is discussed together with some hypotheses that lead to the derivation of SCG laws. A two-phase cohesive zone model for discontinuous crack growth is presented and its thermodynamics analyzed, followed by an example of its possible application.

Allen, David H.↗
NASA NTRS1993

Thermodynamics of nickel-cadmium and nickel-hydrogen batteries

Thermodynamic parameters for Nickel-Cadmium (NiCad) and Nickel-Hydrogen (NiH2) batteries are calculated for temperatures ranging from 273.15K (0 C) to 373.15K (100 C). For both systems, we list equilibrium and thermoneutral voltages for the cells, and in the case of the NiH2 battery, these data are provide for hydrogen fugacities ranging from 0.01 to 100 (atm) to simulate the full discharged and charged states. The quality of the input thermodynamic data are assessed and the effect of assuming different cell reactions is analyzed.

Macdonald, Digby D.↗
NASA NTRS1995

Thermodynamics of Strecker synthesis in hydrothermal systems

Submarine hydrothermal systems on the early Earth may have been the sites from which life emerged. The potential for Strecker synthesis to produce biomolecules (amino and hydroxy acids) from starting compounds (ketones, aldehydes, HCN and ammonia) in such environments is evaluated quantitatively using thermodynamic data and parameters for the revised Helgeson-Kirkham-Flowers (HKF) equation of state. Although there is an overwhelming thermodynamic drive to form biomolecules by the Strecker synthesis at hydrothermal conditions, the availability and concentration of starting compounds limit the efficiency and productivity of Strecker reactions. Mechanisms for concentrating reactant compounds could help overcome this problem, but other mechanisms for production of biomolecules may have been required to produce the required compounds on the early Earth. Geochemical constraints imposed by hydrothermal systems provide important clues for determining the potential of these and other systems as sites for the emergence of life.

Schulte, Mitchell↗
NASA NTRS1999

Thermodynamic Data to 20,000 K For Monatomic Gases

This report contains standard-state thermodynamic functions for 50 gaseous atomic elements plus deuterium and electron gas, 51 singly ionized positive ions, and 36 singly ionized negative ions. The data were generated by the NASA Lewis computer program PAC97, a modified version of PAC91 reported in McBride and Gordon. This report is being published primarily to document part of the data currently being used in several NASA Lewis computer programs. The data are presented in tabular and graphical format and are also represented in the form of least-squares coefficients. The tables give the following data as functions of temperature : heat capacity, enthalpy, entropy Gibbs energy, enthalpy of formation, and equilibrium constant. A brief discussion and a comparison of calculated results are given for several models for calculating ideal thermodynamic data for monatomic gases.

Gordon, Sanford↗
NASA NTRS2000

A Solution Methodology and Computer Program to Efficiently Model Thermodynamic and Transport Coefficients of Mixtures

A solution methodology has been developed to efficiently model multi-specie, chemically frozen, thermally perfect gas mixtures. The method relies on the ability to generate a single (composite) set of thermodynamic and transport coefficients prior to beginning a CFD solution. While not fundamentally a new concept, many applied CFD users are not aware of this capability nor have a mechanism to easily and confidently generate new coefficients. A database of individual specie property coefficients has been created for 48 species. The seven coefficient form of the thermodynamic functions is currently used rather then the ten coefficient form due to the similarity of the calculated properties, low temperature behavior and reduced CPU requirements. Sutherland laminar viscosity and thermal conductivity coefficients were computed in a consistent manner from available reference curves. A computer program has been written to provide CFD users with a convenient method to generate composite specie coefficients for any mixture. Mach 7 forebody/inlet calculations demonstrated nearly equivalent results and significant CPU time savings compared to a multi-specie solution approach. Results from high-speed combustor analysis also illustrate the ability to model inert test gas contaminants without additional computational expense.

Ferlemann, Paul G.↗
NASA NTRS1999

A Scale-Invariant Model of Statistical Mechanics and Modified Forms of the First and the Second Laws of Thermodynamics

A scale-invariant statistical theory of fields is presented that leads to invariant definition of density, velocity, temperature, and pressure, The definition of Boltzmann constant is introduced as k(sub k) = m(sub k)v(sub k)c = 1.381 x 10(exp -23) J x K(exp -1), suggesting that the Kelvin absolute temperature scale is equivalent to a length scale. Two new state variables called the reversible heat Q(sub rev) = TS and the reversible work W(sub rev) = PV are introduced. The modified forms of the first and second law of thermodynamics are presented. The microscopic definition of heat (work) is presented as the kinetic energy due to the random (peculiar) translational, rotational, and pulsational motions. The Gibbs free energy of an element at scale Beta is identified as the total system energy at scale (Beta-1), thus leading to an invariant form of the first law of thermodynamics U(sub Beta) = Q(sub Beta) - W(sub Beta) +N(e3)U(sub Beta-1).

Sohrab, Siavash H.↗
NASA NTRS2001

Thermodynamics of Silicon-Hydroxide Formation in H2O Containing Atmospheres

The formation of volatile silicon-hydroxide species from SiO2 in water containing atmospheres has been identified as a potentially important mode of degradation of Si-based ceramics. Availability of thermodynamic data for these species is a major problem. This study is part of an ongoing effort to obtain reliable, experimentally determined thermodynamic data for these species. The transpiration method was used to measure the pressure of Si-containing vapor in equilibrium with SiO2 (cristobalite) and Ar + H2O(g) with various mole fractions of water vapor, X(sub H2O), at temperatures ranging from 1000 to 1780 K. Enthalpies and entropies for the reaction, SiO2(s) + 2H2O(g) = Si(OH)4(g), were obtained, at X(sub H2O) = 0.15 and 0.37, from the variation of lnK with 1/T according to the 'second law method'. The following data were obtained: delta(H)deg = 52.9 +/- 3.7 kJ/mole and delta(S)deg = -68.6 +/- 2.5 J/mole K at an average temperature of 1550 K, and delta(H)deg = 52.5+/-2.0 kJ/mole and delta(S)deg= -69.7 +/- 1.5 J/moleK at an average temperature of 1384 K, for X(sub H2O)= 0.15 and 0.37, respectively. These data agree with results from the literature obtained at an average temperature of 1600 K, and strongly suggest Si(OH)4(g) is the dominant vapor species. Contradictory results were obtained with the determination of the dependence of Si-containing vapor pressure on the partial pressure of water vapor at 1187 and 1722 K. These results suggested the Si-containing vapor could be a mixture of Si(OH)4 + SiO(OH)2. Further pressure dependent studies are in progress to resolve these issues.

Copland, Evan↗
NASA NTRS2003

Second Law of Thermodynamics Applied to Metabolic Networks

We present a simple algorithm based on linear programming, that combines Kirchoff's flux and potential laws and applies them to metabolic networks to predict thermodynamically feasible reaction fluxes. These law's represent mass conservation and energy feasibility that are widely used in electrical circuit analysis. Formulating the Kirchoff's potential law around a reaction loop in terms of the null space of the stoichiometric matrix leads to a simple representation of the law of entropy that can be readily incorporated into the traditional flux balance analysis without resorting to non-linear optimization. Our technique is new as it can easily check the fluxes got by applying flux balance analysis for thermodynamic feasibility and modify them if they are infeasible so that they satisfy the law of entropy. We illustrate our method by applying it to the network dealing with the central metabolism of Escherichia coli. Due to its simplicity this algorithm will be useful in studying large scale complex metabolic networks in the cell of different organisms.

Nigam, R.↗