The VIM theory of molecular thermodynamics: Part I: Analytic equation of state of nonpolar fluids

Alem, A. H.; Mansoori, G. Ali

doi:10.1002/aic.690300316

Cited by 11 publications

(1 citation statement)

References 18 publications

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“…This perturbation approach has been applied to study Leonard-Jones liquids, and the results compare well with results from molecular dynamic simulation [16]. The perturbation approach has also been the basis for several studies to determine the equation of state for liquids [17]. In addition a correction for the volume not accessible in a hard-sphere reference fluid is given in ref 18.…”

Section: Theorymentioning

confidence: 91%

Implementation of a perturbation model for a dilute binary liquid and comparison of model mass diffusion coefficients with microgravity experiment results for liquid Pb 1 wt % Au

Scott

Smith

2009

Can. J. Phys.

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The estimation of mass diffusion coefficients, through Earth-bound experiments, remains difficult, due to the frequent occurrence of dominating convective flows resulting from gravity-driven density gradients caused by temperature and concentration gradients. To partly remedy this, a series of capillary mass diffusion experiments has been performed in microgravity on a number of different space platforms, sometimes performed on a microgravity isolation mount, to further reduce the platform operational noise referred to as ''g-jitter''. Theoretical comparisons are sought for the experimental observations. Two numerical models have been developed based on perturbation theory. We have used the Lado criteria for minimizing the difference in free energy between the multispecies liquid of interest and a reference hard-sphere liquid. The hard-sphere liquid is characterized by the rational function approximation of the partial radial distribution functions. The effective embedded atom like glue potential has been used to model the liquid of interest. This has necessitated introducing the mean coordination number as an additional parameter. Isothermal compressibility has been used to determine the mean coordination number. The initialization of the numerical solutions, and the extension of solutions over the experimental range of temperatures have been demonstrated for Pb 1 wt % Au. The model results have been used to estimate the mass diffusion coefficients by applying the Enskog equation to the reference hard-sphere liquid. For consideration of capillary experiments, a definition of total mass diffusion coefficient, D tot , has been introduced to characterize reverse Kirkaldy simultaneous diffusion. The mixed diffusion coefficient estimate is in good agreement with the mixed diffusion coefficient estimated from the velocity correlation of molecular dynamic simulations. D tot and D 11 are in good agreement with the experimental results indicating that reverse Kirkaldy simultaneous diffusion has had an influence on the experiment. Good agreement between the mixed mass diffusion coefficient and the result from molecular dynamic simulation indicates the perturbation models can predict the mixed coefficient. These models may assist in the analysis of data from both Earth-bound and microgravity, mass diffusion experiments when the required embedded atom type potentials are available.Résumé : Il demeure difficile d'évaluer les coefficients de diffusion massique dans des expériences sur Terre, à cause des fréquents courants de convexion souvent dominants générés par des gradients de densités dus à la gravité et dont la source se trouve dans les gradients de température et de concentration. Pour remédier partiellement à ce problème, nous avons fait une série d'expériences de diffusion massique en capillaire en état de microgravité à bord de différentes plateformes spatiales, souvent sur un support d'isolation de microgravité afin de réduire encore plus le bruit opérationnel, appelé fluctuation g, sur les plateformes. Nous cherch...

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Section: Theorymentioning

confidence: 91%

Implementation of a perturbation model for a dilute binary liquid and comparison of model mass diffusion coefficients with microgravity experiment results for liquid Pb 1 wt % Au

Scott

Smith

2009

Can. J. Phys.

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A _p‐V‐T Surface for Trifluoromethane

Rubio

Zollweg

Streett

1989

Ber Bunsenges Phys Chem

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The density of trifluoromethane has been measured from 126 to 332 K and up to 1000 bar. The results have been correlated in terms of the Strobridge equation of state, and compared with results from the literature. The ability of other semitheoretical equations of state to fit the data has been tested, as well as a variational theory. The spinodal curve has been estimated from the expansivity data.

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Van der waals mixing rules for cubic equations of state. Applications for supercritical fluid extraction modelling

Kwak

Mansoori

1986

Chemical Engineering Science

233

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The VIM theory of molecular thermodynamics: Part I: Analytic equation of state of nonpolar fluids

Cited by 11 publications

References 18 publications

Implementation of a perturbation model for a dilute binary liquid and comparison of model mass diffusion coefficients with microgravity experiment results for liquid Pb 1 wt % Au

Implementation of a perturbation model for a dilute binary liquid and comparison of model mass diffusion coefficients with microgravity experiment results for liquid Pb 1 wt % Au

A _p‐V‐T Surface for Trifluoromethane

Van der waals mixing rules for cubic equations of state. Applications for supercritical fluid extraction modelling

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The VIM theory of molecular thermodynamics: Part I: Analytic equation of state of nonpolar fluids

Cited by 11 publications

References 18 publications

Implementation of a perturbation model for a dilute binary liquid and comparison of model mass diffusion coefficients with microgravity experiment results for liquid Pb 1 wt % Au

Implementation of a perturbation model for a dilute binary liquid and comparison of model mass diffusion coefficients with microgravity experiment results for liquid Pb 1 wt % Au

A p‐V‐T Surface for Trifluoromethane

Van der waals mixing rules for cubic equations of state. Applications for supercritical fluid extraction modelling

Contact Info

Product

Resources

About

A _p‐V‐T Surface for Trifluoromethane