Prediction of high pressure properties of complex mixtures without knowledge of their composition as a problem of thermodynamic linear analysis

Postnikov, Eugene B.; Jasiok, Bernadeta; Melent'ev, Vyacheslav V.; Ryshkova, Olga S.; Korotkovskii, Vadim I.; Radchenko, Anton K.; Lowe, Alexander; Chorążewski, Mirosław

doi:10.1016/j.molliq.2020.113016

Cited by 6 publications

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“…( 21) can be logarithmed and rewritten as For (ρ − ρ 0 )/ρ 0 << 1 , since ln(1 + x) ≈ x for small x, that gives i.e. the form of the FT-EoS (19) with k′ = k M .…”

Section: Methodsmentioning

confidence: 99%

“…Note also that its modification 13 leads also to the Murnaghan equation initially derived for highly compressive isotropic solids. Recently, there were some attempts to address Tait's parameters from general thermodynamic points of view considering the ultra-high pressure range 14 and its interpolating to the low-pressure limiting state 15 as well as from the theory thermodynamic fluctuations 16 that allows building the Tait-like shaped Fluctuations Theory-based Equation of State (FT-EOS), which extrapolates data obtained at ambient pressure to the elevated one up to some hundred Megapascals for a wide range of liquid's classes, including polar, and ionic liquids and liquid mixtures [17][18][19] . However, the latter fails when the pressure tends to GPa range; this has been argued as the transition of liquid's bulk modulus to the behaviour typical for isotropic solids (Murnaghan's equation) 20 .…”

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confidence: 99%

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Combining the Tait equation with the phonon theory allows predicting the density of liquids up to the Gigapascal range

Postnikov

Belenkov

Chorążewski

2023

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Predicting the density of liquids at ultrahigh pressures in the case when only the data measured at ambient pressure are available is a long-standing challenge for thermodynamic research. In this work, we archived this goal for molecular liquids by applying the half-sum of the Tait equation and the Murnagnan equation in the form coordinated with Tait’s at low pressure for predicting the density of molecular liquids up to the pressures more than 1 GPa with uncertainty comparable with the experimental one. It is shown that the control parameter, which is needed in addition to the initial density and the isothermal compressibility can be found using the speed of sound and the density at ambient pressure and has a clear physical interpretation in terms of the characteristic frequency of intermolecular oscillation mimicking the limiting frequency of Debye’s theory of heat conductivity of solids. This fact is discussed as arguing in favour of the modern phonon theory of liquid thermodynamics and expands it range of applicability to the volumetric properties of liquids at temperatures far below the critical one. The validity of the model is illustrated with the case study of classic Bridgman’s dataset as well as with some examples of ultrahigh-pressure data obtained by the diamond anvil cell and shock wave compression methods.

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“…( 21) can be logarithmed and rewritten as For (ρ − ρ 0 )/ρ 0 << 1 , since ln(1 + x) ≈ x for small x, that gives i.e. the form of the FT-EoS (19) with k′ = k M .…”

Section: Methodsmentioning

confidence: 99%