Compressibilities and virial coefficients for methane, ethylene, and their mixtures

Lee, Roy C.; Edmister, Wayne C.

doi:10.1002/aic.690160631

Cited by 24 publications

(2 citation statements)

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“…Especially in the case of ethene and propene where a large number of experimentally determined second virial coefficients B are available, systematic deviations and outliers can be detected quite easily. For ethene, the experimental results reported by Lee and Edmister (below 348 K) and Häusler and Kerl (below 282 K) are much more negative than the rest of the experimental data. The error bars do not overlap, and therefore, these data were not taken into account.…”

Section: Theoretical Sectionmentioning

confidence: 61%

Effective (n-6) Lennard-Jones Potentials with Temperature-Dependent Parameters Introduced for Accurate Calculation of Equilibrium and Transport Properties of Ethene, Propene, Butene, and Cyclopropane

Zarkova

Hohm

2009

J. Chem. Eng. Data

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The alkenes and cycloalkanes C m H2m (m = 1 to 4) are important reactants, intermediates, and end products in the chemical industry. Some of them are also widely used in the polymer industry. This paper presents tables with recommended thermophysical data in the temperature range (200 to 1000) K and pressures ≤ 0.1 MPa of ethene, propene, cyclopropane, 1-butene, cis-2-butene, trans-2-butene, and iso-butene. Second pVT virial coefficients B, viscosities η, and diffusion coefficients D are calculated by means of a (n-6) Lennard-Jones temperature-dependent potential. The potential parameters, equilibrium distance R m(T), and potential well-depth ε(T) are defined as functions of the temperature T by solving an ill-posed problem of minimization of the squared deviations between measured and calculated B, η, and D, normalized to their experimental error. Tables with potential parameters as well as algorithms for calculation of the potential-dependent properties are given in this paper.

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Section: Theoretical Sectionmentioning

confidence: 61%

Effective (n-6) Lennard-Jones Potentials with Temperature-Dependent Parameters Introduced for Accurate Calculation of Equilibrium and Transport Properties of Ethene, Propene, Butene, and Cyclopropane

Zarkova

Hohm

2009

J. Chem. Eng. Data

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“…(1944).p Sass et al (1967).q Reamer et al (1945). r ' Lee and Edmister (1970)' McMath and Edmister (1969)…”

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confidence: 99%

Thermodynamic Properties of Gas Mixtures Containing Common Polar and Nonpolar Components

Nakamura¹,

Breedveld²,

Prausnitz³

1976

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

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The vessel inside and coil outside film heat transfer coefficients of water and dilute aqueous polymer solutions of sodium carboxymethyl cellulose (SCMC) and sodium alginate (SA) have been studied in a turbine-agitated vessel for standard and nonstandard vessel configurations with agitator diameter, depth of agitation, helix diameter, and coiled tube outside diameter as parameters. The jacket-and coil-side heat transfer results are correlated.

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An equation for predicting third virial coefficients of nonpolar gases

Santis¹,

Grande²

1979

AIChE Journal

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An empirical correlation for calculating third virial coefficients of nonpolar gases is developed in agreement with the corresponding states theorem. This equation requires the use of a third parameter which can be estimated from molecular parameters. The method is reliable, even for systems where no experimental data are available. The extension to mixtures involves one interaction constant for all possible binary sets. SCOPEVolumetric and thermodynamic properties of gases and vapors can be conveniently estimated by the virial equation of state. The virial equation is normally used up to moderate pressures, since only data of second virial coefficients are plentiful in the literature. Indeed, several analytical methods have been developed for calculating second virial coefficients (Tsonopoulos, 1974; Hayden and OConnell, 1975;Tarakad and Danner, 1977). However, the advantages of the virial equation could be increased if quantitative information were available on the third virial coefficient.Calculations of the third virial coefficients with intermolecular potential functions cannot be carried out with sufficient accuracy because of the present uncertainties on the real potential functions and on their nonpairwise additivity corrections. Empirical correlations are more useful. The only one available is that of Chueh and Prausnitz (1967) which, however, does not allow calculations in the absence of data.This work provides a predictive method based on the available data and on recent advances in the theoretical estimates of the third virial coefficient. CONCLUSIONS AND SIGNIFICANCEA successful correlation for predicting the third virial coefficients of pure and mixed nonpolar gases in temperature ranges of practical interest has been developed. The equation is in agreement with the corresponding states theorem and requires a knowledge of the critical volume and temperature, acentric factor, dipole polarizability, and molecular volume of the compounds involved. A binary interaction constant is also required to extend the method to mixtures. The correlation is a reliable predictive method of the third virial coefficients as shown by comparisons with experimental data.The main significance of this work concerns the possibility of extending the virial equation up to about threefourths of the critical density to calculate fugacity coefficients. These are required to interpret multicomponent vapor-liquid and gas-liquid equilibria at high pressures. where B, the second virial coefficient, is related to the potential energy between two molecules; C, the third virial coefficient, is related to the interaction energy among three molecules, etc. The theoretical calculations of C for various gases are hindered by the uncertainties about the real form of binary intermolecular potentials and about the nonpairwise additivity contributions. Simple POtential functions with two or three parameters do not allow accurate calculations, even if several three-body contributions are taken into account (De Santis and Grande, 1979).

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Compressibilities and virial coefficients for methane, ethylene, and their mixtures

Cited by 24 publications

References 24 publications

Effective (n-6) Lennard-Jones Potentials with Temperature-Dependent Parameters Introduced for Accurate Calculation of Equilibrium and Transport Properties of Ethene, Propene, Butene, and Cyclopropane

Effective (n-6) Lennard-Jones Potentials with Temperature-Dependent Parameters Introduced for Accurate Calculation of Equilibrium and Transport Properties of Ethene, Propene, Butene, and Cyclopropane

Thermodynamic Properties of Gas Mixtures Containing Common Polar and Nonpolar Components

An equation for predicting third virial coefficients of nonpolar gases

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