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Entropy, enthalpy, and density values for mixtures of liquid and vapor para hydrogen and mixtures of liquid and vapor oxygen - thermodynamic properties
Thermodynamic properties of erbium hydrogen binary system evaluated for use as low pressure standard
Thermodynamic properties of liquid cesium-mercury solutions
The equilibrium composition and the thermodynamic properties of the mixture resulting from the decomposition of uranium hexafluoride is calculated for temperatures ranging from 600 K to 4000 K at pressures from 0.01 atmospheres to 10 atmospheres.
Simple relations for determining the enthalpy and temperature of hydrogen-helium gas mixtures were developed for hydrogen volumetric compositions from 1.0 to 0.7. These relations are expressed as a function of pressure and density and are valid for a range of temperatures from 7,000 to 35,000 K and pressures from 0.10 to 3.14 MPa. The proportionality constant and exponents in the correlation equations were determined for each gas composition by applying a linear least squares curve fit to a large number of thermodynamic calculations obtained from a detailed computer code. Although these simple relations yielded thermodynamic properties suitable for many engineering applications, their accuracy was improved significantly by evaluating the proportionality constants at postshock conditions and correlating these values as a function of the gas composition and the product of freestream velocity and shock angle. The resulting equations for the proportionality constants in terms of velocity and gas composition and the corresponding simple realtions for enthalpy and temperature were incorporated into a flow field computational scheme. Comparison was good between the thermodynamic properties determined from these relations and those obtained by using a detailed computer code to determine the properties. Thus, an appreciable savings in computer time was realized with no significant loss in accuracy.
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.
Thermodynamic properties of a Ga-doped La–Sr–Mn perovskite are experimentally extracted and used to compare its water splitting behavior to ceria.
Equilibrium high temperature thermodynamic property computations with vibrational and rotational corrections for gas mixtures
Summary of the current state of knowledge about the thermodynamic properties of liquid metals, including heats of fusion and heat capacities. A table is presented of consistent thermodynamic data for liquid metals, including estimates for the many high-melting transition metals which have not yet been studied, based on new levitation data and on periodic table correlations.
Thermodynamic properties and nozzle flow calculations for high temperature and pressure hydrogen, presenting results in Mollier diagram
The successful design and deployment of next-generation nuclear technologies heavily rely on thermodynamic data for relevant molten salt systems. However, the lack of accurate force fields and efficient methods has limited the quality of thermodynamic predictions from atomistic simulations. Here we propose an efficient free energy framework for computing chemical potentials, which is the central free energy quantity behind many thermodynamic properties. We accelerate our simulations without sacrificing accuracy by using machine learning interatomic potentials trained on density functional theory (DFT) data. Using lithium chloride as our model system, we compute chemical potentials with DFT-accuracy for solid and liquid phases by transmuting ions into noninteracting particles. Notably, in the liquid phase, we demonstrate consistency whether we transmute one ion pair or the entire system into ideal gas particles. By locating the temperature where the chemical potential of solid and liquid phases cross, we predict a melting point of 880 ± 18 K for lithium chloride, which is remarkably close to the experimental value of 883 K. With this successful demonstration, we lay the foundation for high-throughput thermodynamic predictions of many properties that can be derived from the chemical potentials of the minority and majority components in molten salts.
Nonstoichiometric zirconium niobium carbide thermodynamic properties, deriving components activity equations from statistical considerations based on pairwise interaction energies
Equilibrium thermodynamic properties for pure carbon dioxide are presented in tabulated and graphical form for temperatures from 100 K to 25,000 K and pressures from 40 mN/sq m to 1 GN/sq m. Properties include pressure, temperature, density, enthalpy, speed of sound, entropy, molecular weight ratio, specific heat at constant pressure, specific heat at constant volume, isentropic exponent, and species mole fractions.
Theoretical equations were derived from basic thermodynamic equations to relate the thermodynamic properties of a two-component gas mixture to the expansion of the gas during tank ullage blowdown.
Thermodynamic properties of interstitial elements in refractory metals
Literature survey of, and test procedure for determination of thermodynamic properties of AeroZINE-50
Thermodynamic property data tables for CHNOPS compounds and heats of combustion and formation for organic compounds of biological interest
Thermodynamic property data for argon