Equations of state and thermodynamic properties of rare-gas solids under pressure calculated using a self-consistent statistical method

2003 ◽  
Vol 67 (22) ◽  
Author(s):  
A. I. Karasevskii ◽  
W. B. Holzapfel
Keyword(s):  
Thermodynamic Properties ◽  
Statistical Method ◽  
Equations Of State ◽  
Rare Gas ◽  
Self Consistent

Structure and thermodynamic properties of small rare-gas clusters

1980 ◽  
Vol 59 (2) ◽  
pp. 575-580
Author(s):  
P. de Muyter ◽  
B. Djafari-Rouhani ◽  
J. Vénnik
Keyword(s):  
Thermodynamic Properties ◽  
Rare Gas ◽  
Gas Clusters ◽  
Rare Gas Clusters

FIRST-PRINCIPLES HIGH-PRESSURE ELASTIC AND THERMODYNAMIC PROPERTIES OF TANTALUM

2011 ◽  
Vol 25 (10) ◽  
pp. 1393-1407 ◽  
Author(s):  
JING-HE WU ◽  
XIAN-LIN ZHAO ◽  
YOU-LIN SONG ◽  
GUO-DONG WU
Keyword(s):  
Thermodynamic Properties ◽  
Elastic Constants ◽  
First Principles ◽  
Equations Of State ◽  
Debye Model ◽  
Thermal Expansivity ◽  
Orbital Method ◽  
Full Potential ◽  
Body Centered Cubic ◽  
Theoretical Results

The all-electron full-potential linearized muffin-tin orbital method, by means of quasi-harmonic Debye model, is applied to investigate the elastic constant and thermodynamic properties of body-centered-cubic tantalum (bcc Ta). The calculated elastic constants of bcc Ta at 0 K is consistent with the previous experimental and theoretical results. Our calculations give the correct trends for the pressure dependence of elastic constants. By using the convenient quasi-harmonic Debye model, we refined the thermal equations of state. The thermal expansivity and some other thermal properties agree well with the previous experimental and theoretical results.

Ab Initio Theory of the Equations of State for Light Rare-Gas Crystals

2019 ◽  
pp. 213-229
Author(s):  
Ievgen Ie. Gorbenko ◽  
Elena P. Troitskaya ◽  
Ekaterina A. Pilipenko ◽  
Ilya A. Verbenko ◽  
Yuriy I. Yurasov
Keyword(s):  
Ab Initio ◽  
Equations Of State ◽  
Rare Gas ◽  
Ab Initio Theory

Thermodynamic Properties of Pure and Mixed Thermal Plasmas Over a Wide Range of Temperature and Pressure

2017 ◽  
Vol 140 (3) ◽  
Author(s):  
Omid Askari
Keyword(s):  
Thermodynamic Properties ◽  
Specific Heat ◽  
Fluid Dynamic ◽  
Thermal Plasmas ◽  
Statistical Thermodynamic ◽  
Reference Source ◽  
Degree Of Ionization ◽  
Wide Range ◽  
Self Consistent ◽  
Temperature And Pressure

Chemical composition and thermodynamics properties of different thermal plasmas are calculated in a wide range of temperatures (300–100,000 K) and pressures (10−6–100 atm). The calculation is performed in dissociation and ionization temperature ranges using statistical thermodynamic modeling. The thermodynamic properties considered in this study are enthalpy, entropy, Gibbs free energy, specific heat at constant pressure, specific heat ratio, speed of sound, mean molar mass, and degree of ionization. The calculations have been done for seven pure plasmas such as hydrogen, helium, carbon, nitrogen, oxygen, neon, and argon. In this study, the Debye–Huckel cutoff criterion in conjunction with the Griem’s self-consistent model is applied for terminating the electronic partition function series and to calculate the reduction of the ionization potential. The Rydberg and Ritz extrapolation laws have been used for energy levels which are not observed in tabulated data. Two different methods called complete chemical equilibrium and progressive methods are presented to find the composition of available species. The calculated pure plasma properties are then presented as functions of temperature and pressure, in terms of a new set of thermodynamically self-consistent correlations for efficient use in computational fluid dynamic (CFD) simulations. The results have been shown excellent agreement with literature. The results from pure plasmas as a reliable reference source in conjunction with an alternative method are then used to calculate the thermodynamic properties of any arbitrary plasma mixtures (mixed plasmas) having elemental atoms of H, He, C, N, O, Ne, and Ar in their chemical structure.

Thermodynamic properties of liquid mixtures: Selection of the pure liquid parameter

1974 ◽  
Vol 27 (3) ◽  
pp. 647 ◽  
Author(s):  
DV Fenby ◽  
NF Pasco
Keyword(s):  
Equation Of State ◽  
Thermodynamic Properties ◽  
Equations Of State ◽  
Liquid Mixtures ◽  
Pure Liquid ◽  
Excess Thermodynamic Properties ◽  
Pure Fluids ◽  
Liquid Parameter ◽  
Selection Of

There has recently been a revival of interest in theories of liquid mixtures based on analytic equations of state for pure fluids. We have shown that the method used to determine the parameters of the pure-liquid equation of state has a significant effect on the excess thermodynamic properties obtained from such theories.

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