An assessment of the melting, boiling, and critical point data of the alkali metals

Ohse, R.W.; Babelot, J.-F.; Magill, J. H.; Tetenbaum, M.

doi:10.1351/pac198557101407

Cited by 38 publications

(46 citation statements)

References 5 publications

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“…Unfortunately, there is no serious theoretical approach for assessing the time τ (q), and consequently the quantity η(q) to be inserted in equation (4).…”

Section: The Hydrodynamic Approximation C T (Q T) (βM) −1 Exp[(−η/nmmentioning

confidence: 99%

“…Although our approach is less general, it is much simpler (and equally reliable) than those referred to in the above, as will be clear in the following. We shall also compare the theoretical results for D with the experimental findings [3,4]. In order to test the validity of the predictions as accurately as possible, we have also performed a number of subsidiary molecular dynamics (MD) simulations in a model system which mimics in a rather realistic way the features of liquid Na for the properties under consideration.…”

mentioning

confidence: 99%

“…In this case the core radius was assumed to be 0.9116Å. Overall we have investigated five states of liquid Na; they are characterized by temperatures T and mass densities ρ which are compiled in table 1 and were taken from [4]. In our approach we require the transverse-current correlation functions (CF) C T (q, t) which were obtained by standard micro-canonical MD simulations of 2048-particle ensembles over 100 000 time-steps t. The values for t for the different states are also reported in table 1.…”

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confidence: 99%

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The generalized Stokes - Einstein relation for liquid sodium

Balucani¹,

Kahl

1997

J. Phys.: Condens. Matter

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Abstract. We show that a microscopic generalization of the Stokes-Einstein relation between the diffusion and shear viscosity coefficients, previously tested in simple liquids near melting, has a much wider range of application. The practical validity of the approach is accurately checked by performing extensive computer simulations in liquid sodium at temperatures ranging from 403 K to 1003 K.Transport properties such as the diffusion and shear viscosity coefficients are widely used in any macroscopic description of time-dependent phenomena in dense fluids and liquids such as, for example, ordinary Navier-Stokes hydrodynamics. These 'coarse-grained' approaches are, however, unable to predict in different thermodynamic states the actual magnitude of the transport coefficients, which depends on a variety of underlying microscopic events (comprising, e.g., collisions, vortices and particle trapping). In the last decade or so, considerable progress in the microdynamics of the liquid state has however been achieved by the development of comprehensive frameworks combining both kinetic and mode-coupling arguments [1,2]. In particular, by these approaches quite satisfactory results have been obtained for the dynamics (and consequently for the transport coefficients) of several simple liquids near freezing as well as in supercooled states [1]. In comparison, less attention has instead been devoted to realistic liquids at relatively high temperatures, where the tests of the above general framework are limited, and the results still somewhat controversial.In this work we shall explicitly consider the problem of 'predicting' the diffusion coefficient D of a simple liquid in a wide range of thermodynamic states. Specifically, we shall consider the case of molten sodium, an appropriate benchmark system because of the stability of its liquid phase over a rather large temperature interval (from the melting point at T m ∼ 371 K up to the boiling point at T b ∼ 1154 K). Although our approach is less general, it is much simpler (and equally reliable) than those referred to in the above, as will be clear in the following. We shall also compare the theoretical results for D with the experimental findings [3,4]. In order to test the validity of the predictions as accurately as possible, we have also performed a number of subsidiary molecular dynamics (MD) simulations in a model system which mimics in a rather realistic way the features of liquid Na for the properties under consideration. The effective pair potentials acting between the Na atoms are based on pseudopotential theory: we have used the Ashcroft empty-core pseudopotential [5] along with the Ichimaru-Utsumi expression for the local field correction [6]. The only parameter in the pseudopotential is the core radius, for which we have taken the usual value reported in the literature (0.9049Å) [7]. For state I (cf.

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“…Unfortunately, there is no serious theoretical approach for assessing the time τ (q), and consequently the quantity η(q) to be inserted in equation (4).…”

Section: The Hydrodynamic Approximation C T (Q T) (βM) −1 Exp[(−η/nmmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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The generalized Stokes - Einstein relation for liquid sodium

Balucani¹,

Kahl

1997

J. Phys.: Condens. Matter

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“…Tables 2-7 show a comparison between experimental results and those calculated. We have proposed a simple accurate correlation for liquid these metals, there is no reasonable consistency for critical parameters between different reported values [36]. Also the correlation shows how the successful empirical regularities can be obtained from a simple equation.…”

Section: Discussionmentioning

confidence: 91%

Corresponding states theory and thermodynamic properties of liquid alkali metals

Mousazadeh

Khanchi

Marageh

2006

JICS

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According to phenomenological scaling and the law of corresponding states, reduced coordinates F * -T * , where F * represents the reduced thermodynamic properties (enthalpy of vaporization, speed of sound, surface tension, saturated liquid density) and T * is the reduced temperature, are introduced for the prediction of the thermodynamic properties of alkali metals. Values of the thermodynamic properties from the melting point up to boiling point are correlated. It has been shown that the correlation between reduced thermodynamic properties, as well as with the reduced temperature, can be expressed as a unique straight-line plot with a linear correlation coefficient of 0.9998. The proposed correlation has a simple form for easy calculation, requires only the melting and boiling point parameters, which are usually easy to acquire, and can predict the thermodynamic properties from the melting temperature up to the boiling temperature accurately.

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“…As can be seen, the value of the ratio of the supercritical temperature to the maximum attainable temperature of superheating for caesium, rubidium and potassium is practically the same. In Table 1, the values of the ratio of the supercritical temperature to the maximum attainable temperature of superheating determined through experimental data on vapour pressure [47] , compressibility factor [48,49] and on critical compressibility factor [4] are also presented. Our estimation gives percent errors of −5.4041%, −5.2448% and −5.3766% for caesium, rubidium and potassium, respectively.…”

Section: Results and Analysismentioning

confidence: 99%

Correlations of supercritical temperature of fluid alkali metals

Balasubramanian¹

2008

Asia-Pacific J Chem Eng

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The supercritical temperature, the maximum attainable temperature of superheating and the critical compressibility factor of caesium, rubidium and potassium are correlated through the generalised van der Waals equation of state. This three-parameter equation differs from the known van der Waals equation of state by the modified expression for molecular pressure. For caesium, rubidium and potassium, the ratios of the supercritical temperature to the maximum attainable temperature of superheating are estimated. Our estimation results are in agreement with experimental data. It has been established that caesium, rubidium and potassium obey the single-parameter law of corresponding states with the ratio of the supercritical temperature to the maximum attainable temperature of superheating as the thermodynamic similarity parameter. 

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An assessment of the melting, boiling, and critical point data of the alkali metals

Abstract: Abstract

Cited by 38 publications

References 5 publications

The generalized Stokes - Einstein relation for liquid sodium

The generalized Stokes - Einstein relation for liquid sodium

Corresponding states theory and thermodynamic properties of liquid alkali metals

Correlations of supercritical temperature of fluid alkali metals

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