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Journal ArticleDOI

An empirical correlation of second virial coefficients

Constantine Tsonopoulos
- 01 Mar 1974 - 
- Vol. 20, Iss: 2, pp 263-272
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TLDR
In this paper, a new correlation of second virial coefficients of both polar and nonpolar systems is presented, which uses the Pitzer-Curl correlation for non-polar compounds, but in a modified form.
Abstract
A new correlation of second virial coefficients of both polar and nonpolar systems is presented. It uses the Pitzer-Curl correlation for nonpolar compounds, but in a modified form. The second virial coefficient of nonhydrogen bonding compounds (ketones, acetaldehyde, acetonitrile, ethers) and weakly hydrogen bonding compounds (phenol) is fitted satisfactorily with only one additional parameter per compound, which is shown to be a strong function of the reduced dipole moment. Two parameters are needed for hydrogen bonding compounds (alcohols, water), but for alcohols, one parameter has been kept constant and the other expressed as a function of the reduced dipole moment. The extension of the correlation to mixtures is satisfactory, direct, and involves only one coefficient per binary.

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Journal ArticleDOI

A generalized thermodynamic correlation based on three‐parameter corresponding states

TL;DR: In this paper, the volumetric and thermodynamic functions correlated by Pitzer and co-workers were analyzed with improved accuracy by a modified BWR equation of state, which provides a smooth transition between the original tables of Pitzer et al. and more recent extensions to lower temperatures.
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A thermodynamic model of mixed organic-inorganic aerosols to predict activity coefficients

TL;DR: In this paper, the authors present a thermodynamic model named AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) that is able to calculate activity coefficients covering inorganic, organic, and organic-inorganic interactions in aqueous solutions over a wide concentration range.
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A refined droplet approach to the problem of homogeneous nucleation from the vapor phase

TL;DR: In this article, a theory of homogeneous nucleation from the vapor phase is presented, which is based on an extension of Fisher's semiphenomenological droplet model for the Gibbs free energy of formation of a cluster.
Journal ArticleDOI

On chemical equilibria in methanol synthesis

TL;DR: In this article, the chemical equilibria of the methanol reaction and the water-gas shift reaction, starting from carbon monoxide, carbon dioxide and hydrogen, were studied in a fixed-bed catalytic reactor at P = 10-80 bar and T = 200-270°C.
Journal ArticleDOI

A comparative study of thermodynamic properties and molecular interactions in mono- and polychloroalkane + n-alkane or + cyclohexane mixtures

TL;DR: In this article, the DISQUAC group-contribution model was applied to 10 classes of mono- or polychloroalkanes + n-alkanes or + cyclohexane.
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