Correspondence Principle for Transport Properties of Dense Fluids. Pure Monatomic Fluids

Tham, M. J.; Gubbins, Keith E.

doi:10.1021/i160032a031

Cited by 26 publications

(11 citation statements)

References 20 publications

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“…The shear-rigidity modulus components, Gap, were taken from eqn (29) and G, is the average of the three components given below. Key: a denotes calculations with the 'shifted and tilted' Lennard-Jones potential from eqn (9), otherwise the truncated LJ potential (r, = 2.5) from eqn (1) was used. A probe of the liquid's structure that gives the nearest and second-nearest-neighbour distances in these anisotropic liquids is provided by an angular resolution of the pair radial distribution function, g ( r).…”

Section: Structural Changesmentioning

confidence: 99%

The rheology of gases. A molecular-dynamics study

Heyes¹,

Szczepanski²

1987

J. Chem. Soc., Faraday Trans. 2

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Non-equilibrium molecular dynamics, NEMD, computer simulation is used to characterise and understand the nature of shear thinning in the gas phase. An extensive series of calculations is used to provide simple expressions which represent the effect of shear rate on the shear viscosity, the Cartesian components of the self-diff usion coefficient and normal pressure differences for the dilute Lennard-Jones (LJ) fluid. The temperature range considered was T* = 1.5-10 and the density range was mainly less than p* = 0.1. Shear thinning in the gaseous phase is associated with a distortion of the Maxwell-Boltzmann velocity distribution. A shear-induced clustering of molecules is also observed at p = 0.01.

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Section: Structural Changesmentioning

confidence: 99%

The rheology of gases. A molecular-dynamics study

Heyes¹,

Szczepanski²

1987

J. Chem. Soc., Faraday Trans. 2

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“…e. a characteristic time. [22][23][24] The constant C depends upon the fluid density and temperature.20 It is ca. 0.3 for argon at its triple point.I8 The approximately linear dependence upon the square root of the dimensionless shear rate Ay has been found to be valid for values of Ay as large as nine.…”

Section: Viscositymentioning

confidence: 99%

A model for domain flow of liquid-crystal polymers

Wissbrun¹

1985

Faraday Discuss. Chem. Soc.

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Liquid-crystal polymers often exhibit a low-shear-rate region of shear thinning of viscosity, accompanied by lack of net orientation and by a dependence of texture and rheology on shear history. A phenomenological model to account for this region is presented. The model uses Marrucci's description of stable domains whose size is a function of stress. The interaction of these domains is estimated from the continuum theory of liquid crystals. The shear-ratedependent viscosity and normal stress of the polydomain fluid are calculated from the interaction energy and size of the domain by analogy with non-equilibrium moleculardynamics calculations for small-molecule fluids. The shear-rate dependences are similar to those observed experimentally. Other tests of the model, including optical observations and measurement of dynamic viscosity, are proposed.

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“…In principle, pure component data are not required since a generalized correlation is available from the work of Doan and Brunet (1972). The present work amounts to an extension of earlier works of Brunet and Doan (1970), Tham and Gubbins (1969), Preston, et a/. (1967), and Thomaes (1 959).…”

mentioning

confidence: 98%

Transport Properties of Liquid Mixtures (n-Paraffins) and the Theorem of Corresponding States

Doan¹,

Brunet²

1972

Ind. Eng. Chem. Fund.

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Prigogine, et al. (1957), developed theorems of corresponding states for thermodynamic properties. Their approach has recently been extended to include transport properties of mixtures of spherical molecules (Brunet and Doan, 1970) as well as pure r-mers (Doan and Brunet, 1972). In the present paper the method is extended to mixtures of r-mer molecules. The technique has been tested for the n-alkanes using the available experimental data: viscosity, 12 sets of data (six systems); thermal conductivity, two sets of data (one system); and diffusivity, 1 3 sets of data (two systems). For these systems transport properties have been predicted within 1-2% of the experimental values and this has been achieved without any mixture parameters.The chief advantages of the present theory lie in the fact that it accounts for the temperature and density (pressure) dependence of the mixture transport properties, and that it is fully predictive and requires no mixture parameters. In the present theory the only quantities required are pair elemental interactions between alike species. In principle, pure component data are not required since a generalized correlation is available from the work of Doan and Brunet (1972). The present work amounts to an extension of earlier works of Brunet and Doan (1970), Tham and Gubbins (1969), Preston, et a/. (1967), and Thomaes (1 959).

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Correspondence Principle for Transport Properties of Dense Fluids. Pure Monatomic Fluids

Cited by 26 publications

References 20 publications

The rheology of gases. A molecular-dynamics study

The rheology of gases. A molecular-dynamics study

A model for domain flow of liquid-crystal polymers

Transport Properties of Liquid Mixtures (n-Paraffins) and the Theorem of Corresponding States

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