Comparison between experimental and calculated results showed their good mutual agreement. Based on known thermodynamic data for constitutive binary systems and available experimental data for the investigated ternary system, the ternary interaction parameter for the liquid phase in the temperature range 1000–1200 K was determined. The Redlich–Kister–Muggianu model was used for the calculations.
With this formula the thermodynamic average of anyĬalculation of the thermodynamic properties of liquid Ag–In–Sb alloysĭirectory of Open Access Journals (Sweden)įull Text Available The results of calculations of the thermodynamic properties of liquid Ag–In–Sb alloys are presented in this paper. A recursion formula for thermodynamic averages of products of mean-field excitation and deexcitation operators is derived. The random-phase approximation (RPA) for molecular crystals is extended in order to calculate thermodynamic properties.
No calculations were made for the supercritical regionĬalculation of thermodynamic properties using the random-phase approximation: alpha-N2
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The code NASUPER calculates thermodynamic properties for super-heated sodium vapor only for low (< 1644 K) temperatures. Thermodynamic properties of saturated sodium vapor are calculated in the code NAVAPOR. In the code SODIPROP, these properties are calculated for saturated and subcooled liquid sodium. The following thermodynamic properties have been calculated in these codes: enthalpy, heat capacity, entropy, vapor pressure, heat of vaporization, density, volumetric thermal expansion coefficient, compressibility, and thermal pressure coefficient. These calculations incorporate new critical parameters (temperature, pressure, and density) and recently derived single equations for enthalpy and vapor pressure. Three computer codes - SODIPROP, NAVAPOR, and NASUPER - were written in order to calculate a self-consistent set of thermodynamic properties for saturated, subcooled, and superheated sodium. International Nuclear Information System (INIS) An interpolation scheme is introduced to generate model parameters for arbitrary salt concentrations which performs better against a validation set than predictions using salt corrections.Computer codes used in the calculation of high-temperature thermodynamic properties of sodium We have found that using variable initial parameters provides better predictive results than using salt correction factors and that the prediction uncertainty is considerably reduced for a validation set of independent sequences. Two different parameter schemes were tested, with fixed or variable initial parameters.
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They show a marked quadratic dependence with salt concentrations which are compensated to form linear Gibbs free energies. These new parameters do not need to be salt-corrected and are shown to provide overall improved melting temperature predictions. We calculate the nearest-neighbour enthalpies and entropies at 5 salt concentrations of 18 RNA sequences, each for at least 9 different species concentrations, totalling 757 melting temperatures, using a melting temperature optimization method.
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