A test of the modified Enskog theory for the transport properties of liquids

Amorós, J.; Maeso, M. J.; Villar, Eugenio

doi:10.1007/bf00503915

Cited by 9 publications

(8 citation statements)

References 87 publications

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“…This transformation is known as the modified Enskog theory (MET) [57]. Since D~E x agrees better with the experimental values than DE, it seems We have evaluated ADMET for all of the substances analysed (except for decane since the data for the internal pressure are not available) from the data collected in our earlier papers [58,59]. This is also shown in the table.…”

Section: Discussionmentioning

confidence: 94%

Predicting the translational-rotational coupling factor for polyatomic molecules from the self-diffusion coefficient

Amorós

1994

Molecular Physics

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The translational-rotational coupling factor, or roughness factor, introduced by Chandler, has been evaluated for twelve substances in the liquid range (between the triple and critical points) by means of a reduced number of self-diffusion data. The influence of experimental data, simulation procedures, different choices for the hard sphere diameter, and the introduction of the modified Enskog theory have been included in this study. The results support the validity of the model.

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Section: Discussionmentioning

confidence: 94%

Predicting the translational-rotational coupling factor for polyatomic molecules from the self-diffusion coefficient

Amorós

1994

Molecular Physics

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“…. Both SET and RET for dense gases have achieved some successes in predicting transport properties of simple fluids (Hanley, McCarty & Cohen 1972; Amorós, Maeso & Villar 1992), shock wave propagation (Frezzotti 1997) and gas dynamics under confinement (Wu et al. 2016; Sheng et al.…”

Section: Introductionmentioning

confidence: 99%

“…1972; Amorós et al. 1992) or the van der Waals pressure (i.e. the pressure in the van-der-Waals-type EoS) (Luo 2000) to replace the pressure in the hard-sphere EoS .…”

Section: Introductionmentioning

confidence: 99%

“…1972; Amorós et al. 1992) or the experimental data of the transport coefficients (Chapman & Cowling 1990). However, the MET has been applied only to obtain transport coefficients of real gases.…”

Section: Introductionmentioning

confidence: 99%

“…Both SET and RET for dense gases have achieved some successes in predicting transport properties of simple fluids (Hanley, McCarty & Cohen 1972;Amorós, Maeso & Villar 1992), shock wave propagation (Frezzotti 1997) and gas dynamics under confinement (Wu et al 2016;Sheng et al 2020). However, SET and RET ignore the long-range attractive interactions between gas molecules, which are important in real gases (Vera & Prausnitz 1972;He & Doolen 2002;Wang & Li 2007;Frezzotti, Barbante & Gibelli 2019).…”

Section: Introductionmentioning

confidence: 99%

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Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids

Shan,

Su,

Gibelli

et al. 2023

J. Fluid Mech.

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A thermodynamically consistent kinetic model is proposed for the non-equilibrium transport of confined van der Waals fluids, where the long-range molecular attraction is considered by a mean-field term in the transport equation, and the transport coefficients are tuned to match the experimental data. The equation of state of the van der Waals fluids can be obtained from an appropriate choice of the pair correlation function. By contrast, the modified Enskog theory predicts non-physical negative transport coefficients near the critical temperature and may not be able to recover the Boltzmann equation in the dilute limit. In addition, the shear viscosity and thermal conductivity are predicted more accurately by taking gas molecular attraction into account, while the softened Enskog formula for hard-sphere molecules performs better in predicting the bulk viscosity. The present kinetic model agrees with the Boltzmann model in the dilute limit and with the Navier–Stokes equations in the continuum limit, indicating its capability in modelling dilute-to-dense and continuum-to-non-equilibrium flows. The new model is examined thoroughly and validated by comparing it with the molecular dynamics simulation results. In contrast to the previous studies, our simulation results reveal the importance of molecular attraction even for high temperatures, which holds the molecules to the bulk while the hard-sphere model significantly overestimates the density near the wall. Because the long-range molecular attraction is considered appropriately in the present model, the velocity slip and temperature jump at the surface for the more realistic van der Waals fluids can be predicted accurately.

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Modelling of Transport Properties of Hard Sphere Fluids and Related Systems, and its Applications

Silva

Liu

Lecture Notes in Physics

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A test of the modified Enskog theory for the transport properties of liquids

Cited by 9 publications

References 87 publications

Predicting the translational-rotational coupling factor for polyatomic molecules from the self-diffusion coefficient

Predicting the translational-rotational coupling factor for polyatomic molecules from the self-diffusion coefficient

Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids

Modelling of Transport Properties of Hard Sphere Fluids and Related Systems, and its Applications

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