CORRELATION FOR THE THIRD VIRIAL COEFFICIENT USING Tc, PC , DIPOLAR POLARIZABILITY AND MEAN RADIUS OF GYRATION AS PARAMETERS

Bosse, Maria A.; Reich, Ronny

doi:10.1080/00986448808940262

Cited by 8 publications

(6 citation statements)

References 10 publications

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“…At the same solvent conditions, binary diffusivities in Hard−Sphere fluids depend only on solute mass and diameter . In Lennard-Jones systems, the depth of the potential well is also taken into account. , In real substances, shape, polarity, and hydrogen bonds have importance too. − Molar volumes at critical or normal boiling point can be employed for calculating molecular diameters , and temperatures at the same points for determining depths of potential well. , The acentric factor and radius of gyration − are rough measurements of molecular sphericity.…”

Section: Resultsmentioning

confidence: 99%

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Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide

et al. 2009

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The binary diffusion coefficients of 2-ethyltoluene, 3-ethyltoluene, and 4-ethyltoluene in supercritical carbon dioxide were determined in a pressure range of (15.0 to 35.0) MPa at temperatures of (313, 323, and 333) K by means of the Taylor-Aris dispersion technique. The influence of pressure, temperature, density, and viscosity on the binary diffusion coefficients was examined, and some general trends were established. The experimental results were compared with the values estimated by several semiempirical equations based on the Stokes-Einstein formula and on the Rough-Hard-Sphere model.

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Section: Resultsmentioning

confidence: 99%

“…[25][26][27][28][29][30] Molar volumes at critical or normal boiling point can be employed for calculating molecular diameters 31,32 and temperatures at the same points for determining depths of potential well. 33,34 The acentric factor 35 and radius of gyration [36][37][38] are rough measurements of molecular sphericity.…”

Section: Resultsmentioning

confidence: 99%

Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide

et al. 2009

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“…Bosse and Reich argued that the characteristic parameters used in the above correlations do not allow a clear separation of the different contributions to the third virial coefficient, such as pairwise additivity/nonadditivity and size/shape effects. They proposed instead a generalized dependence of the form where α* is the reduced dipolar polarizability defined as …”

Section: Third Virial Coefficients: Experimental Data and Correlationsmentioning

confidence: 99%

Predicted Inversion Curve and Third Virial Coefficients of Carbon Dioxide at High Temperatures

Colina

Olivera-Fuentes

2001

Ind. Eng. Chem. Res.

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The shape of the Joule-Thomson inversion curve of a fluid at high temperatures is shown to be directly related to its second and third virial coefficients. Experimental values and empirical correlations of the third virial coefficient of carbon dioxide are used to resolve a previously observed conflict between inversion curves obtained from different equations of state for this fluid. In particular, third virial coefficients predicted from the Pitzer-Sterner equation of state are shown to be in error, resulting therefore in an incorrect inversion curve.

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“…To verify the proposed method, the literature data for 18 substances with 2046 experimental points were selected, shown in the Appendix. Parameters used in this work (T c , P c , V c , M, ω, and r g ) are selected from the 'Korea Thermophysical Properties Databank' (KDB, http://www.cheric.org/kdb/) or the 'National Institute of Standards and Technology' (NIST, http://webbook.nist.gov/chemistry/fluid/); the acentric factor of inert gases is selected from the literature [26]. We listed the AAD values of the proposed equation along with the AAD values calculated by using other equations from the literature [7][8][9][10] in Table 2.…”

Section: Equation For Self-diffusion Coefficient Of Real Fluidmentioning

confidence: 99%

Prediction of Self-Diffusion Coefficients of Fluids Based on Friction and Free Volume Theories

et al. 2015

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With a combination of friction and free volume theories, a new equation for calculating the self-diffusion coefficient is presented based on molecular dynamics simulation data in the literature. The equation could be applied to calculate the selfdiffusion coefficient of real fluids in the gas or liquid phase. The equation was used to calculate the self-diffusion coefficients of 18 substances. The absolute average relative deviation was 13.79 %. Nomenclature Symbols A ADAverage absolute deviationAbsolute temperature Electronic supplementary material The online version of this article (

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CORRELATION FOR THE THIRD VIRIAL COEFFICIENT USING T_c, P_C , DIPOLAR POLARIZABILITY AND MEAN RADIUS OF GYRATION AS PARAMETERS

Cited by 8 publications

References 10 publications

Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide

Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide

Predicted Inversion Curve and Third Virial Coefficients of Carbon Dioxide at High Temperatures

Prediction of Self-Diffusion Coefficients of Fluids Based on Friction and Free Volume Theories

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