Application of the Redlich-Kwong-Soave equation of state to the solubility of water in compressed gases

1984 ◽  
Vol 49 (5) ◽  
pp. 1116-1121
Author(s):  
Josef P. Novák ◽  
Jaroslav Matouš ◽  
Petr Pick ◽  
Jiří Pick
Keyword(s):  
Equation Of State ◽  
Binary Systems ◽  
Equations Of State ◽  
Published Data ◽  
Interaction Coefficients

Published data on the solubility of water in compressed gases were employed for calculating the interaction coefficients kij in the Redlich-Kwong-Soave equations of state for binary systems of water with argon, nitrogen, CO2, N2O, CH4, C2H6, or C2H4. With these coefficients, the estimate of the solubility of water in these gases has been improved by more than one order.

Constraints on the Equations of State of stiff anisotropic minerals: rutile, and the implications for rutile elastic barometry

2019 ◽  
Vol 83 (03) ◽  
pp. 339-347 ◽  
Author(s):  
Gabriele Zaffiro ◽  
Ross J. Angel ◽  
Matteo Alvaro
Keyword(s):  
Equation Of State ◽  
Equations Of State ◽  
Harmonic Approximation ◽  
Unit Cell ◽  
Elastic Behaviour ◽  
Published Data ◽  
Grüneisen Parameter ◽  
Unit Cell Parameters ◽  
Gruneisen Parameter ◽  
Cell Parameters

AbstractWe present an assessment of the thermo-elastic behaviour of rutile based on X-ray diffraction data and direct elastic measurements available in the literature. The data confirms that the quasi-harmonic approximation is not valid for rutile because rutile exhibits substantial anisotropic thermal pressure, meaning that the unit-cell parameters change significantly along isochors. Simultaneous fitting of both the diffraction and elasticity data yields parameters of KTR0= 205.14(15) GPa, KSR0= 207.30(14) GPa, $K_{TR0}^{\prime} $= 6.9(4) in a 3rd-order Birch-Murnaghan Equation of State for compression, αV0= 2.526(16) × 10–5 K–1, Einstein temperature θE = 328(12) K, Anderson-Grüneisen parameter δT = 7.6(6), with a fixed thermal Grüneisen parameter γ = 1.4 to describe the thermal expansion and variation of bulk modulus with temperature at room pressure. This Equation of State fits all of the available data up to 7.3 GPa at room temperature, and up to 1100 K at room pressure within its uncertainties. We also present a series of formulations and a simple protocol to obtain thermodynamically consistent Equations of State for the volume and the unit-cell parameters for stiff materials, such as rutile. In combination with published data for garnets, the Equation of State for rutile indicates that rutile inclusions trapped inside garnets in metamorphic rocks should exhibit negative residual pressures when measured at room conditions.

SITE-SPECIFIC EQUATIONS OF STATE FOR COASTAL SEA AREAS AND INLAND WATER BODIES

2017 ◽  
Author(s):  
Natalia Andrulionis ◽  
Natalia Andrulionis ◽  
Ivan Zavialov ◽  
Ivan Zavialov ◽  
Elena Kovaleva ◽  
...  
Keyword(s):  
Equation Of State ◽  
Black Sea ◽  
Water Samples ◽  
Equations Of State ◽  
Sea Water ◽  
Ionic Composition ◽  
Water Bodies ◽  
Aral Sea ◽  
The Black Sea ◽  
Coastal Sea

This article presents a new method of laboratory density determination and construction equations of state for marine waters with various ionic compositions and salinities was developed. The validation of the method was performed using the Ocean Standard Seawater and the UNESCO thermodynamic equation of state (EOS-80). Density measurements of water samples from the Aral Sea, the Black Sea and the Issyk-Kul Lake were performed using a high-precision laboratory density meter. The obtained results were compared with the density values calculated for the considered water samples by the EOS-80 equation. It was shown that difference in ionic composition between Standard Seawater and the considered water bodies results in significant inaccuracies in determination of water density using the EOS-80 equation. Basing on the laboratory measurements of density under various salinity and temperature values we constructed a new equation of state for the Aral Sea and the Black Sea water samples and estimated errors for their coefficients.

scholarly journals Global Well-Posedness of the Ocean Primitive Equations with Nonlinear Thermodynamics

2021 ◽  
Vol 23 (3) ◽  
Author(s):  
Peter Korn
Keyword(s):  
Equation Of State ◽  
Equations Of State ◽  
Boussinesq Equations ◽  
Climate Science ◽  
Rational Functions ◽  
Ocean Dynamics ◽  
Global Ocean ◽  
Primitive Equations ◽  
Well Posedness ◽  
Nonlinear Thermodynamics

AbstractWe consider the hydrostatic Boussinesq equations of global ocean dynamics, also known as the “primitive equations”, coupled to advection–diffusion equations for temperature and salt. The system of equations is closed by an equation of state that expresses density as a function of temperature, salinity and pressure. The equation of state TEOS-10, the official description of seawater and ice properties in marine science of the Intergovernmental Oceanographic Commission, is the most accurate equations of state with respect to ocean observation and rests on the firm theoretical foundation of the Gibbs formalism of thermodynamics. We study several specifications of the TEOS-10 equation of state that comply with the assumption underlying the primitive equations. These equations of state take the form of high-order polynomials or rational functions of temperature, salinity and pressure. The ocean primitive equations with a nonlinear equation of state describe richer dynamical phenomena than the system with a linear equation of state. We prove well-posedness for the ocean primitive equations with nonlinear thermodynamics in the Sobolev space $${{\mathcal {H}}^{1}}$$ H 1 . The proof rests upon the fundamental work of Cao and Titi (Ann. Math. 166:245–267, 2007) and also on the results of Kukavica and Ziane (Nonlinearity 20:2739–2753, 2007). Alternative and older nonlinear equations of state are also considered. Our results narrow the gap between the mathematical analysis of the ocean primitive equations and the equations underlying numerical ocean models used in ocean and climate science.

scholarly journals Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
J. Lütgert ◽  
J. Vorberger ◽  
N. J. Hartley ◽  
K. Voigt ◽  
M. Rödel ◽  
...  
Keyword(s):  
Equation Of State ◽  
Polyethylene Terephthalate ◽  
Density Functional ◽  
Equations Of State ◽  
Md Simulations ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
Shock Hugoniot ◽  
Highly Correlated

AbstractWe present structure and equation of state (EOS) measurements of biaxially orientated polyethylene terephthalate (PET, $$({\hbox {C}}_{10} {\hbox {H}}_8 {\hbox {O}}_4)_n$$ ( C 10 H 8 O 4 ) n , also called mylar) shock-compressed to ($$155 \pm 20$$ 155 ± 20 ) GPa and ($$6000 \pm 1000$$ 6000 ± 1000 ) K using in situ X-ray diffraction, Doppler velocimetry, and optical pyrometry. Comparing to density functional theory molecular dynamics (DFT-MD) simulations, we find a highly correlated liquid at conditions differing from predictions by some equations of state tables, which underlines the influence of complex chemical interactions in this regime. EOS calculations from ab initio DFT-MD simulations and shock Hugoniot measurements of density, pressure and temperature confirm the discrepancy to these tables and present an experimentally benchmarked correction to the description of PET as an exemplary material to represent the mixture of light elements at planetary interior conditions.

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.

The theory of rubber elasticity

1976 ◽  
Vol 351 (1666) ◽  
pp. 397-406 ◽  
Keyword(s):  
Equation Of State ◽  
Statistical Mechanics ◽  
Equations Of State ◽  
Rubber Elasticity ◽  
Elastic Behaviour ◽  
Excluded Volume ◽  
Simple Pattern ◽  
Dynamical Approach ◽  
Equilibrium Approach ◽  
The Future

It is argued that since statistical mechanics has developed in two ways, the dynamical approach of Boltzmann and the equilibrium approach of Gibbs, both should be valuable in rubber elasticity. It is shown that this is indeed the case, and the generality of these approaches allows one to study the problem in greater depth than hitherto. In particular, damping terms in the elastic behaviour of rubber can be calculated, and also the effect of entanglements and excluded volume on the equation of state. It is noticeable that although the calculated equations of state are quite complex, they do not fit into a simple pattern of invariants. The future for these developments is briefly discussed.

Direct detection of double retrograde behavior in binary systems for equation of state models

2016 ◽  
Vol 426 ◽  
pp. 131-144
Author(s):  
J.I. Ramello ◽  
J.M. Milanesio ◽  
G.O. Pisoni ◽  
M. Cismondi ◽  
M.S. Zabaloy
Keyword(s):  
Equation Of State ◽  
Binary Systems ◽  
Direct Detection ◽  
State Models

scholarly journals Carbides and Nitrides of Zirconium and Hafnium

Materials ◽  
2019 ◽  
Vol 12 (17) ◽  
pp. 2728 ◽  
Author(s):  
Sergey V. Ushakov ◽  
Alexandra Navrotsky ◽  
Qi-Jun Hong ◽  
Axel van de Walle
Keyword(s):  
Experimental Data ◽  
Phase Equilibria ◽  
Ab Initio ◽  
Solid Solutions ◽  
Binary Systems ◽  
Experimental Studies ◽  
Published Data ◽  
Oxygen Solubility ◽  
Melting Temperatures ◽  
Ab Initio Computations

Among transition metal carbides and nitrides, zirconium, and hafnium compounds are the most stable and have the highest melting temperatures. Here we review published data on phases and phase equilibria in Hf-Zr-C-N-O system, from experiment and ab initio computations with focus on rocksalt Zr and Hf carbides and nitrides, their solid solutions and oxygen solubility limits. The systematic experimental studies on phase equilibria and thermodynamics were performed mainly 40–60 years ago, mostly for binary systems of Zr and Hf with C and N. Since then, synthesis of several oxynitrides was reported in the fluorite-derivative type of structures, of orthorhombic and cubic higher nitrides Zr3N4 and Hf3N4. An ever-increasing stream of data is provided by ab initio computations, and one of the testable predictions is that the rocksalt HfC0.75N0.22 phase would have the highest known melting temperature. Experimental data on melting temperatures of hafnium carbonitrides are absent, but minimum in heat capacity and maximum in hardness were reported for Hf(C,N) solid solutions. New methods, such as electrical pulse heating and laser melting, can fill the gaps in experimental data and validate ab initio predictions.

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