Progress in statistical thermodynamics applied to fluid phase

Boublı́k, Tomáš

doi:10.1016/0378-3812(77)80025-3

Cited by 22 publications

(2 citation statements)

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“…is not yet possible to construct a rigorous statistical-mechanical theory of fluids, much progress has been made in developing approximate partition functions for gases and liquids (e.g., Boublik, 1977;Donohue and Prausnitz, 1978). Since the approximate theoretical models usually contain only a few adjustable constants, they are often more useful for engineering calculations than empirical equations, especially whenever sufficient experimental data are not available to fix a large number of adjustable parameters.…”

Section: While Itmentioning

confidence: 99%

Computational Methods for High-Pressure Phase Equilibria and Other Fluid-Phase Properties Using a Partition Function. 1. Pure Fluids

Anderson¹,

Prausnitz²

1980

Ind. Eng. Chem. Proc. Des. Dev.

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Section: While Itmentioning

confidence: 99%

Computational Methods for High-Pressure Phase Equilibria and Other Fluid-Phase Properties Using a Partition Function. 1. Pure Fluids

Anderson¹,

Prausnitz²

1980

Ind. Eng. Chem. Proc. Des. Dev.

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“…shows the geometric relations of body r for the integration of equation(1). By using symmetry the boundaries , = x/(1 -s~/a2),ror = hk~/COS O, with hkl = 3c + 89 't (15) rlr ~ a,where c denotes the distance base area-centre of the tetrahedral core and is given by c = lx/6/12.…”

mentioning

confidence: 99%

Surface and volume of three, four, six and twelve hard fused spheres

Lustig

1985

Molecular Physics

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Thermodynamic perturbation theories for molecular liquids usually need the equation of state (EOS) of a system of hard molecuIes. For moIecules consisting of hard fused spheres the suggested EOS of Boublik needs the surface and the volume of such a hard body. In the present paper these quantities are calculated analytically for two types of molecules composed of hard spheres of equal radii the centres of which form either isosceles triangles or regular tetrahedra. Besides an elementary geometric calculation, a more fundamental approach is also used which allows an extension to molecules of more than four spheres the centres of which form regular polyhedra.

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Molecular Theory of Liquid Mixtures

Köhler

1977

Ber Bunsenges Phys Chem

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The possibilities for predicting thermodynamic properties of mixtures by molecular theories are reviewed. The main difficulty is one's insufficient knowledge of pair potentials. The statistical theory is well developed for spherically-symmetric potentials, and recent extensions to angle-dependent potentials are noteworthy. This provides a qualitative understanding of many features of real systems, and quantitative agreement with computer simulations. However, quantitative agreement with real mixtures is hardly possible without adjustable parameters.

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Progress in statistical thermodynamics applied to fluid phase

Cited by 22 publications

References 171 publications

Computational Methods for High-Pressure Phase Equilibria and Other Fluid-Phase Properties Using a Partition Function. 1. Pure Fluids

Computational Methods for High-Pressure Phase Equilibria and Other Fluid-Phase Properties Using a Partition Function. 1. Pure Fluids

Surface and volume of three, four, six and twelve hard fused spheres

Molecular Theory of Liquid Mixtures

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