Search NASA⌕ Search

SEARCH · Search NASA

Results for “Thermodynamic Modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

VESIcal Part I: An open-source thermodynamic model engine for mixed volatile (H2O-CO2) solubility in silicate melts

Thermodynamics has been fundamental to the interpretation of geologic data and modeling of geologic systems for decades. However, more recent advancements in computational capabilities and a marked increase in researchers’ accessibility to computing tools has outpaced the functionality and extensibility of currently available modeling tools. Here we present VESIcal (Volatile Equilibria and Saturation Identification calculator): the first comprehensive modeling tool for H 2 O, CO 2 , and mixed (H 2 O-CO 2 ) solubility in silicate melts that: a) allows users access to seven commonly used models, plus easy inter-comparison between models; b) provides universal functionality for all models (e.g., functions for calculating saturation pressures, degassing paths, etc.); c) can process large datasets (1,000’s of samples) automatically; d) can output computed data into an excel spreadsheet for simple post-modeling analysis; e) integrates advanced plotting capabilities directly within the tool; and f) provides all of these within the framework of a python library, making the tool extensible by the user and allowing any of the model functions to be incorporated into any other code capable of calling python. The tool is presented within this manuscript, which is a Jupyter notebook containing worked examples accessible to python users with a range of skill levels. The basic functions of VESIcal can also be access via a web app (https://vesical.anvil.app). The VESIcal python library is open-source and available for download at https://github.com/kaylai/VESIcal.

K. Iacovino↗
NASA NTRS2003

Thermodynamic Modeling of the YO(l.5)-ZrO2 System

The YO1.5-ZrO2 system consists of five solid solutions, one liquid solution, and one intermediate compound. A thermodynamic description of this system is developed, which allows calculation of the phase diagram and thermodynamic properties. Two different solution models are used-a neutral species model with YO1.5 and ZrO2 as the components and a charged species model with Y(+3), Zr(+4), O(-2), and vacancies as components. For each model, regular and sub-regular solution parameters are derived fiom selected equilibrium phase and thermodynamic data.

Jacobson, Nathan S.↗
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

Thermodynamic Modeling and Analysis of Human Stress Response

A novel approach based on the second law of thermodynamics is developed to investigate the psychophysiology and quantify human stress level. Two types of stresses (thermal and mental) are examined. A Unified Stress Response Theory (USRT) is developed under the new proposed field of study called Engineering Psychophysiology. The USRT is used to investigate both thermal and mental stresses from a holistic (human body as a whole) and thermodynamic viewpoint. The original concepts and definitions are established as postulates which form the basis for thermodynamic approach to quantify human stress level. An Objective Thermal Stress Index (OTSI) is developed by applying the second law of thermodynamics to the human thermal system to quantify thermal stress or dis- comfort in the human body. The human thermal model based on finite element method is implemented. It is utilized as a "Computational Environmental Chamber" to conduct series of simulations to examine the human thermal stress responses under different environmental conditions. An innovative hybrid technique is developed to analyze human thermal behavior based on series of human-environment interaction simulations. Continuous monitoring of thermal stress is demonstrated with the help of OTSI. It is well established that the human thermal system obeys the second law of thermodynamics. Further, the OTSI is validated against the experimental data. Regarding mental stress, an Objective Mental Stress Index (OMSI) is developed by applying the Maxwell relations of thermodynamics to the combined thermal and cardiovascular system in the human body. The OMSI is utilized to demonstrate the technique of monitoring mental stress continuously and is validated with the help of series of experimental studies. Although the OMSI indicates the level of mental stress, it provides a strong thermodynamic and mathematical relationship between activities of thermal and cardiovascular systems of the human body.

Boregowda, S. C.↗
NASA NTRS2004

Thermodynamic Modeling of a Solid Oxide Fuel Cell to Couple with an Existing Gas Turbine Engine Model

The Controls and Dynamics Technology Branch at NASA Glenn Research Center are interested in combining a solid oxide fuel cell (SOFC) to operate in conjunction with a gas turbine engine. A detailed engine model currently exists in the Matlab/Simulink environment. The idea is to incorporate a SOFC model within the turbine engine simulation and observe the hybrid system's performance. The fuel cell will be heated to its appropriate operating condition by the engine s combustor. Once the fuel cell is operating at its steady-state temperature, the gas burner will back down slowly until the engine is fully operating on the hot gases exhausted from the SOFC. The SOFC code is based on a steady-state model developed by The U.S. Department of Energy (DOE). In its current form, the DOE SOFC model exists in Microsoft Excel and uses Visual Basics to create an I-V (current-voltage) profile. For the project's application, the main issue with this model is that the gas path flow and fuel flow temperatures are used as input parameters instead of outputs. The objective is to create a SOFC model based on the DOE model that inputs the fuel cells flow rates and outputs temperature of the flow streams; therefore, creating a temperature profile as a function of fuel flow rate. This will be done by applying the First Law of Thermodynamics for a flow system to the fuel cell. Validation of this model will be done in two procedures. First, for a given flow rate the exit stream temperature will be calculated and compared to DOE SOFC temperature as a point comparison. Next, an I-V curve and temperature curve will be generated where the I-V curve will be compared with the DOE SOFC I-V curve. Matching I-V curves will suggest validation of the temperature curve because voltage is a function of temperature. Once the temperature profile is created and validated, the model will then be placed into the turbine engine simulation for system analysis.

Brinson, Thomas E.↗
NASA NTRS1988

Thermodynamic modeling of the no-vent fill methodology for transferring cryogens in low gravity

The filling of tanks with cryogens in the low-gravity environment of space poses many technical challenges. Chief among these is the inability to vent only vapor from the tank as the filling proceeds. As a potential solution to this problem, the NASA Lewis Research Center is researching a technique known as No-Vent Fill. This technology potentially has broad application. The focus is the fueling of space based Orbital Transfer Vehicles. The fundamental thermodynamics of the No-Vent Fill is described. The model is then used to conduct a parametric investigation of the key parameters: initial tank wall temperature, liquid-vapor interface heat transfer rate, liquid inflow rate, and inflowing liquid temperatures. Liquid inflowing temperature and the liquid-vapor interface heat transfer rate seem to be the most significant since they influence the entire fill process. The initial tank wall temperature must be sufficiently low to prevent a rapid pressure rise during the initial liquid flashing state, but then becomes less significant.

Chato, David J.↗
NASA NTRS1988

Thermodynamic modeling of the no-vent fill methodology for transferring cryogens in low gravity

The filling of tanks with cryogens in the low-gravity environment of space poses many technical challenges. Chief among these is the inability to vent only vapor from the tank as the filling proceeds. As a potential solution to this problem, the NASA Lewis Research Center is researching a technique known as No-Vent Fill. This technology potentially has broad application. The focus is the fueling of space based Orbital Transfer Vehicles. The fundamental thermodynamics of the No-Vent Fill process to develop an analytical model of No-Vent Fill is described. The model is then used to conduct a parametric investigation of the key parameters: initial tank wall temperature, liquid-vapor interface heat transfer rate, liquid inflow rate, and inflowing liquid temperatures. Liquid inflowing temperature and the liquid-vapor interface heat transfer rate seem to be the most significant since they influence the entire fill process. The initial tank wall temperature must be sufficiently low to prevent a rapid pressure rise during the initial liquid flashing stage, but then becomes less significant.

Chato, David J.↗
NASA NTRS2003

Latent Heating Retrieval from TRMM Observations Using a Simplified Thermodynamic Model

A procedure for the retrieval of hydrometeor latent heating from TRMM active and passive observations is presented. The procedure is based on current methods for estimating multiple-species hydrometeor profiles from TRMM observations. The species include: cloud water, cloud ice, rain, and graupel (or snow). A three-dimensional wind field is prescribed based on the retrieved hydrometeor profiles, and, assuming a steady-state, the sources and sinks in the hydrometeor conservation equations are determined. Then, the momentum and thermodynamic equations, in which the heating and cooling are derived from the hydrometeor sources and sinks, are integrated one step forward in time. The hydrometeor sources and sinks are reevaluated based on the new wind field, and the momentum and thermodynamic equations are integrated one more step. The reevalution-integration process is repeated until a steady state is reached. The procedure is tested using cloud model simulations. Cloud-model derived fields are used to synthesize TRMM observations, from which hydrometeor profiles are derived. The procedure is applied to the retrieved hydrometeor profiles, and the latent heating estimates are compared to the actual latent heating produced by the cloud model. Examples of procedure's applications to real TRMM data are also provided.

Grecu, Mircea↗
NASA NTRS1984

A thermodynamic model for subsolidus equilibria in the system CaO-MgO-Al2O3-SiO2

It is shown that the high temperature enthalpy of solution data for pure phases and solid solutions in the CMAS system are, for 'gabbroic' and 'peridotitic' compositions, consistent with available phase equilibrium data for the MAS, CAS and CMAS systems. A refined set of values of thermodynamic properties for these phases and solid solutions is tabulated. The small differences between the new data set and that of Helgeson et al. (1978) arise from new data on heat capacity and enthalpy being incorporated. The important constraints applied and the major difficulties in fitting which arose are summarized.

Wood, B. J.↗
NASA NTRS2006

Upper Stage Tank Thermodynamic Modeling Using SINDA/FLUINT

Modeling to predict the condition of cryogenic propellants in an upper stage of a launch vehicle is necessary for mission planning and successful execution. Traditionally, this effort was performed using custom, in-house proprietary codes, limiting accessibility and application. Phenomena responsible for influencing the thermodynamic state of the propellant have been characterized as distinct events whose sequence defines a mission. These events include thermal stratification, passive thermal control roll (rotation), slosh, and engine firing. This paper demonstrates the use of an off the shelf, commercially available, thermal/fluid-network code to predict the thermodynamic state of propellant during the coast phase between engine firings, i.e. the first three of the above identified events. Results of this effort will also be presented.

Schallhorn, Paul↗
NASA NTRS1981

Contributions to a thermodynamic model of Earth systems on rivers

A model for the chemical (ground water) erosion and physical (bed load, including sedimentation) erosion of the land was developed. The rudiments of the relation between a regulated sea level (for the past 2500 million years) and the episodic rise and erosion of continents was examined to obtain some notion of the process scalings. Major process scales of about 200 years, 100,000 years, 3 My, 40 My, 300 My were estimated. It was suggested that a program targeted at ecological management would have to become familiar with processes at the first four scales (i.e., from glaciation to the horizontal movement of continents). The study returns to the initial premise. In order to understand and manage Earth biology (life, and modern man), it is necessary minimally to pursue systems' biogeology at a considerable number of process space and time scales via their irreversible thermodynamic couplings.

Iberall, A. S.↗
NASA NTRS1972

Thermodynamic models in cosmochemical systems.

Generalized computer methods are developed for inferring details of the formation of cosmochemical systems. Compositions of ideal gas mixtures existing in equilibrium with multicomponent solid and liquid phases are calculated. A comparison of computed results with experimental data is made for the ternary system MgO-FeO-SiO2. While the ideal-solution approximation is shown to be inaccurate in dealing with the silicate melts, the stable phases and compositions can be accurately calculated in a system where there are only solids and gas. A model system containing the elements H, O, Si, Mg, S, C, Cl, and F is investigated over a range of compositions involving the gas and ten solid phases, to show the power of the technique in dealing with complex gas-solid equilibria. Systems close to cosmic composition are next considered, both with and without iron.

Griffiths, P. R.↗
NASA NTRS1987

A thermodynamic model of the Hg(0.8)Cd(0.2)Te-iodine transport system. I - Te-saturated source material. II - Source material composition within the homogeneity range

A thermochemical analysis of the Hg(0.8)Cd(0.2)Te-iodine vapor transport system is presented, and theoretical calculations of diffusion-controlled mass transport rates are made. The predicted mass fluxes are compared with experimental data obtained from transport experiments under vertical, stabilizing conditions reported earlier and with results of additional transport experiments conducted during the present study. Experimental mass transport rate studies of the transport system for fixed amount of excess Hg as a function of transport agent pressure are presented. The mass fluxes are determined for the vertical, stabilizing orientation of the density gradient relative to the gravitational vector. In order to compare experimental mass transport rates with computed values, the thermochemical analysis is extended to take the formation of Hg vacancies in the above compound into account along with their effect on the partial pressure of the system.

Chandra, D.↗
NASA NTRS1993

Modeling Thermodynamics Of Charring Of A Polymer

Improved method of predicting and of nondestructively analyzing pyrolytic effects in, and thermomechanical properties of, polymers combines theories and techniques from several engineering and scientific disciplines. Evolved in effort to understand charring and erosion of carbon phenolic ablative material in nozzle of rocket engine. Also applicable to other polymers and particularly to nondestructive engineering analysis of specimens heated, charred, or burned.

Funaro, Gregory V.↗
NASA NTRS2005

Thermodynamic Models for Aqueous Alteration Coupled with Volume and Pressure Changes in Asteroids

All major classes of chondrites show signs of alteration on their parent bodies (asteroids). The prevalence of oxidation and hydration in alteration pathways implies that water was the major reactant. Sublimation and melting of water ice, generation of gases, formation of aqueous solutions, alteration of primary minerals and glasses and formation of secondary solids in interior parts of asteroids was likely to be driven by heat from the radioactive decay of short-lived radionuclides. Progress of alteration reactions should have affected masses and volumes of solids, and aqueous and gas phases. In turn, pressure evolution should have been controlled by changes in volumes and temperatures, escape processes, and production/ consumption of gases.

Mironenko, M. V.↗