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Mutual diffusion in concentrated liquid solutions: A new model based on cluster theory

Accepted version
Peer-reviewed

Type

Article

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Authors

Kamgar, A 
Bakhtyari, A 
Mohsenpour, S 
D'Agostino, C 
Moggridge, GD 

Abstract

In dilute solutions, diffusion is dominated by motion of single molecules. Conversely, in non-ideal concentrated solutions, mass transfer by diffusion can be heavily influenced by molecular clustering. Cluster theory in concentrated solutions can be approached using the Cussler model, which has been used to explain experimental mutual diffusion data in highly concentrated solutions. In this work, using the Cussler model and the critical point theory as a starting point, a new model for predictions of mutual diffusion coefficients in binary mixtures over the whole composition range was developed. The model is based on modifications of the concentration correlation function and explains well the experimental mutual diffusion data and their dependence on composition and activity coefficients. The model does not require any knowledge of intra-diffusion coefficients and can be used to predict mutual diffusion coefficients over the whole composition range.

Description

Keywords

diffusion, Cussler equation, cluster theory, concentrated solution, thermodynamics

Journal Title

Journal of Molecular Liquids

Conference Name

Journal ISSN

0167-7322
1873-3166

Volume Title

232

Publisher

Elsevier