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Subroutines, FORTRAN 4 type, were developed for calculating isentropic natural gas mass flow rate through nozzle. Thermodynamic functions covering compressibility, entropy, enthalpy, and specific heat are included.
NASA possesses a wealth of historical cryogenic experiments that provide valuable insights into the design, troubleshooting, and understanding involved in the complex fluid and thermodynamics of managing cryogenic propellants. One approach to leveraging these historical datasets is by simulating these experiments to validate the accuracy of simulation environments and constituent models. This study focused on simulating a selection of the K site test series for both static and sloshing pressurized liquid methane draining experiments conducted at NASA in the 1970’s, utilizing computational fluid dynamics. The simulations were performed in the ANSYS FLUENT environment using the Volume of Fluid (VOF) numerical approach. A k-omega turbulence model was used with interfacial turbulence damping, and accurately predicted the amount of pressurant needed to maintain the required tank pressure throughout the static drain. The static simulation predicted the temperature stratification in the ullage observed at the end of the drain. During the methane expulsion with sloshing test, many features were successfully captured using the k-omega turbulence model with interfacial turbulence damping included. The rate of phase change and liquid temperature was overpredicted compared to the experimental measurements. The overprediction may be attributed to uncertainties in the vessel geometry, methane pressurant temperature and composition, and methodological differences in how the sloshing frequency was adjusted during the expulsion.
The final equation for nitrogen was determined. In the work on the equation of state for nitrogen, coefficients were determined by constraining the critical point to selected critical point parameters. Comparisons of this equation with all the P-density-T data were made, as well as comparisons to all other thermodynamic data reported in the literature. The extrapolation of the equation of state was studied for vapor to higher temperatures and lower temperatures, and for the liquid surface to the saturated liquid and the fusion lines. A new vapor pressure equation was also determined which was constrained to the same critical temperature, pressure, and slope (dP/dT) as the equation of state. Work on the equation of state for oxygen included studies for improving the equation at the critical point. Comparisons of velocity of sound data for oxygen were also made between values calculated with a preliminary equation of state and experimental data. Functions for the calculation of the derived thermodynamic properties using the equation of state are given, together with the derivative and integral functions for the calculation of the thermodynamic properties using the equations of state. Summary tables of the thermodynamic properties of nitrogen and oxygen are also included to serve as a check for those preparing computer programs using the equations of state.
Gaseous species over liquid Na2SO4 were identified by the technique of molecular beam mass spectrometry. The heat and entropy of vaporization of the Na2SO4 molecule were measured directly. Comparisons of the experimental entropy with values calculated using various molecular parameters were used to estimate the molecular structure and vibrational frequencies. The thermodynamic properties of gaseous and condensed phase Na2SO4, along with additional pertinent species, were used in a computer program to calculate equilibrium flame compositions and temperatures for representative turbine engine and burner rig flames. Compositions were calculated at various fuel-to-oxidant ratios with additions of sulfur to the fuel and the components of sea salt to the intake air. Temperatures for condensation of Na2SO4 were obtained as a function of sulfur and sea salt concentrations.
The United States' plans to establish a permanent manned presence in space and to explore the Solar System created the need to efficiently handle large quantities of subcritical cryogenic fluids, particularly propellants such as liquid hydrogen and liquid oxygen, in low- to zero-gravity environments. One of the key technologies to be developed for fluid handling is the ability to transfer the cryogens between storage and spacecraft tanks. The no-vent fill method was identified as one way to perform this transfer. In order to understand how to apply this method, a model of the no-vent fill process is being developed and correlated with experimental data. The verified models then can be used to design and analyze configurations for tankage and subcritical fluid depots. The development of an improved macroscopic thermodynamic model is discussed of the no-vent fill process and the analytical results from the computer program implementation of the model are correlated with experimental results for two different test tanks.
Advancing beyond current lithium-ion technology is necessary in order to enable energy storage devices for electric airplanes. Electrolyte stability is a key limiting factor, yet the design of improved electrolytes remains a formidable challenge. Molecular dynamics (MD) simulations are a powerful tool for studying electrolytes, since they can be used to evaluate structural, thermodynamic, and transport properties, and can provide molecular-level detail often inaccessible to experimental techniques. Our computational materials groups at the NASA Ames Research Center has developed models and methods to accurately simulate both liquid and polymer electrolytes.We report the results from atomistic MD simulations of several electrolyte materials, with lithium salts dissolved in ionic liquids, dimethoxyethane (DME), and polyethylene oxide (PEO). For improved accuracy, we employ polarizable models, where each atom is given an environment-dependent atomic dipole. The simulations accurately predict bulk transport properties, including viscosity, diffusion, and ionic conductivity, in quantitative agreement with available experimental data. Moreover, the simulations provide important insights into the solvation structure of the lithium ions.We also report the results from coarse-grained MD simulations of polyanion electrolytes. In order to more efficiently capture the longer length- and time-scales of these systems, we employ a generic bead-spring model. These simulations provide important insight into how the polymer chain architecture and ionic interaction strengths affect the ionic aggregation behavior and cation dynamics. Despite the simplicity of the model, the simulations yield qualitative agreement with experimental data for similar systems.
Marine boundary layer clouds, including the transition from stratocumulus to cumulus, are poorly represented in numerical weather prediction and general circulation models. In many cases, the complex physical relationships between cloud morphology and the environmental conditions in which marine boundary layer clouds exist are not well understood. Such uncertainties arise in the presence of biomass burning carbonaceous aerosol, as is the case over the southeast Atlantic Ocean, where it is likely that the absorbing and heating properties of these aerosols modify the microphysical composition and macrophysical arrangement of marine stratocumulus and trade cumulus. The deployment of the Atmospheric Radiation Measurement Mobile Facility #1 (AMF1) in support of LASIC (Layered Atlantic Smoke Interactions with Clouds) provided a unique opportunity to observe thermodynamic, cloud and aerosol properties during two consecutive biomass burning seasons from July through October of 2016 and 2017 over Ascension Island (7.96 S, 14.35 W). These observations in conjunction with radiation transfer modeling were used to assess the impact of biomass burning carbonaceous aerosol plumes as they passed over the site.Thermodynamic profiles were generated using a combination of radiosonde data and thermodynamic profilers to provide high temporal resolution profiles of quantities that are important for cloud development, such as CAPE and CIN. Coincident Ka-band radar and lidar profiles were used to characterize the cloud and sub-cloud structure. The resulting thermodynamic and cloud profiles are used as input forcing for the Rapid Radiative Transfer Model (RRTM) to compute radiative heating profiles over the observation site. Idealized experiments using RRTM, with and without aerosols present, are used to assess the impacts of the absorbing aerosol on the heating rate profiles.
The idea of habitability has been useful for categorizing places where life might exist in the universe. Circumstellar habitable zones estimate whether rocky planets might harbor liquid surface water, geophysical and tidal habitable zones gauge places like icy moons. Combined with biological constraints of energy and element availability, habitability can be key for eliminating false positive biosignatures. But is there a more fundamental and complete way to talk about all of this? I’ll share a proposal for a concept of “computational zones” that digs deep into the fundamentals of what we think we know about life, and its relationship to matter, energy, and thermodynamics. With some simple examples I’ll also show how we can apply this to real (and imagined) questions, and what it suggests for the kinds of measurements and missions that could have the greatest astrobiological impact.
A steady-state, horizontally homogeneous, cloud-topped marine boundary layer model based primarily on the work of Lilly (1968) and Schubert et al., (1979) is presented. The conservative thermodynamic variables are equivalent potential temperature, theta(sub e), and total water mixing ratio, q + l. Some of the differences between this and Lilly's (1968) model are: radiation is allowed to penetrate into the boundary layer; cloud top values of longwave radiation, equivalent potential temperature, and water vapor mixing ratio are linear functions of height derived from climatological data at California coastal stations; and the closure assumption assumes a weighted average of Lilly's (1968) maximum and minimum entrainment theories. This model was programmed in FORTRAN and will run interactively on an IBM-compatible personal computer. The program allows the user to specify the geographical location, the wind speed, the sea-surface temperature, the large scale horizontal divergence, and the initial guess for cloud top height. Output includes the steady state values of cloud top and cloud base height, mixed layer equivalent potential temperature and total water mixing ratio, and the associated convective and radiative fluxes.
The design of new high-energy density molecules as candidates for jet and rocket fuels is an important goal of modern chemical thermodynamics. The NASA Glenn Research Center is home to a database of thermodynamic data for over 2000 compounds related to this goal, in the form of least-squares fits of heat capacities, enthalpies, and entropies as functions of temperature over the range of 300 - 6000 K. The chemical equilibrium with applications (CEA) program written and maintained by researchers at NASA Glenn over the last fifty years, makes use of this database for modeling the performance of potential rocket propellants. During its long history, the NASA Glenn database has been developed based on experimental results and data published in the scientific literature such as the standard JANAF tables. The recent development of efficient computational techniques based on quantum chemical methods provides an alternative source of information for expansion of such databases. For example, it is now possible to model dissociation or combustion reactions of small molecules to high accuracy using techniques such as coupled cluster theory or density functional theory. Unfortunately, the current applicability of reliable computational models is limited to relatively small molecules containing only around a dozen (non-hydrogen) atoms. We propose to extend the applicability of coupled cluster theory- often referred to as the 'gold standard' of quantum chemical methods- to molecules containing 30-50 non-hydrogen atoms. The centerpiece of this work is the concept of local correlation, in which the description of the electron interactions- known as electron correlation effects- are reduced to only their most important localized components. Such an advance has the potential to greatly expand the current reach of computational thermochemistry and thus to have a significant impact on the theoretical study of jet and rocket propellants.
Accomplishments are described for the second year effort of a 3-year program to develop methodology for component specific modeling of aircraft engine hot section components (turbine blades, turbine vanes, and burner liners). These accomplishments include: (1) engine thermodynamic and mission models; (2) geometry model generators; (3) remeshing; (4) specialty 3-D inelastic stuctural analysis; (5) computationally efficient solvers, (6) adaptive solution strategies; (7) engine performance parameters/component response variables decomposition and synthesis; (8) integrated software architecture and development, and (9) validation cases for software developed.
The SOLA-ECLIPSE code is being developed to enable prediction of the behavior of cryogenic propellants in spacecraft tankage. A brief description of the formulations used for modeling heat transfer and for determining thermodynamic state is presented. Code performance is verified through comparison to experimental data for the self-pressurization of scale model liquid hydrogen tanks. SOLA-ECLIPSE is used to examine the effect of initial subcooling of the liquid phase on the self-pressurization rate of an on-orbit full scale liquid hydrogen tank typical for a chemical propulsion Orbital Transfer Vehicle. The computational predictions show that even small amounts of subcooling will significantly decrease the self-pressurization rate. Further, if the cooling is provided by a Thermodynamic Vent System, it is concluded that small levels of subcooling will maximize propellant conservation.
New improved curve fits for the thermodynamic properties of equilibrium air were developed. The curve fits are for p = p(e,rho), a = a(e,rho), T = T(e,rho), s = s(e,rho), T = T(p,rho), h = h(p,rho), rho = rho(p,s), e = e(p,s) and a = a(p,s). These curve fits can be readily incorporated into new or existing Computational Fluid Dynamics (CFD) codes if real-gas effects are desired. The curve fits were constructed using Grabau-type transition functions to model the thermodynamic surfaces in a piecewise manner. The accuracies and continuity of these curve fits are substantially improved over those of previous curve fits appearing in NASA CR-2470. These improvements were due to the incorporation of a small number of additional terms in the approximating polynomials and careful choices of the transition functions. The ranges of validity of the new curve fits are temperatures up to 25,000 K and densities from 10 to the minus 7th to 100 amagats (rho/rho sub 0).
The SOLA-ECLIPSE code is being developed to enable prediction of the behavior of cryogenic propellants in spacecraft tankage. A brief description of the formulations used for modeling heat transfer and for determining the thermodynamic state is presented. Code performance is verified through comparison to experimental data for the self-pressurization of scale-model liquid hydrogen tanks. SOLA-ECLIPSE is used to examine the effect of initial subcooling of the liquid phase on the self-pressurization rate of an on-orbit full-scale liquid hydrogen tank typical for a chemical-propulsion orbit transfer vehicle. The computational predictions show that even small amounts of subcooling will significantly decrease the self-pressurization rate. Further, if the cooling is provided by a thermodynamic vent system, it is concluded that small levels of subcooling will maximize propellant conservation.
The Generalized Fluid System Simulation Program (GFSSP) is a general purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors, and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the 'point, drag, and click' method; the users can also run their models and post-process the results in the same environment. Two thermodynamic property programs (GASP/WASP and GASPAK) provide required thermodynamic and thermophysical properties for 36 fluids: helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, parahydrogen, water, kerosene (RP-1), isobutene, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, R-11, R-12, R-22, R-32, R-123, R-124, R-125, R-134A, R-152A, nitrogen trifluoride, ammonia, hydrogen peroxide, and air. The program also provides the options of using any incompressible fluid with constant density and viscosity or ideal gas. The users can also supply property tables for fluids that are not in the library. Twenty-four different resistance/source options are provided for modeling momentum sources or sinks in the branches. These options include pipe flow, flow through a restriction, noncircular duct, pipe flow with entrance and/or exit losses, thin sharp orifice, thick orifice, square edge reduction, square edge expansion, rotating annular duct, rotating radial duct, labyrinth seal, parallel plates, common fittings and valves, pump characteristics, pump power, valve with a given loss coefficient, Joule-Thompson device, control valve, heat exchanger core, parallel tube, and compressible orifice. The program has the provision of including additional resistance options through User Subroutines. GFSSP employs a finite volume formulation of mass, momentum, and energy conservation equations in conjunction with the thermodynamic equations of state for real fluids as well as energy conservation equations for the solid. The system of equations describing the fluid network is solved by a hybrid numerical method that is a combination of the Newton-Raphson and successive substitution methods. The application and verification of the code has been demonstrated through 30 example problems.
The stability and vertical structure of an average severe storm sounding, consisting of both thermodynamic and wind vertical profiles, were investigated to determine if they could be distinguished from an average lag sounding taken 3 to 6 hours prior to severe weather occurrence. The term average is defined here to indicate the arithmetic mean of a parameter, as a function of altitude, determined from a large number of available observations taken either close to severe weather occurrence, or else more than 3 hours before it occurs. The investigative computations were also done to help determine if a severe storm forecast or index could possibly be used or developed. These mean vertical profiles of thermodynamic and wind parameters as a function of severity of the weather, determined from manually digitized radar (MDR) categories are presented. Profile differences and stability index differences are presented along with the development of the Johnson Lag Index (JLI) which is determined entirely upon environmental vertical parameter differences between conditions 3 hours prior to severe weather, and severe weather itself.
The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the point, drag and click method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids and 21 different resistance/source options are provided for modeling momentum sources or sinks in the branches. This Technical Memorandum illustrates the application and verification of the code through 12 demonstrated example problems.
The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the point, drag and click method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids and 21 different resistance/source options are provided for modeling momentum sources or sinks in the branches. This Technical Memorandum illustrates the application and verification of the code through 12 demonstrated example problems. This supplement gives the input and output data files for the examples.