Entropy scaling for diffusion coefficients in fluid mixtures.

ABSTRACT: Entropy scaling is a powerful technique that has been used for predicting transport properties of pure components over a wide range of states. However, modeling mixture diffusion coefficients by entropy scaling is an unresolved task. We tackle this issue and present an entropy scaling framework for predicting mixture self-diffusion coefficients as well as mutual diffusion coefficients in a thermodynamically consistent way. The predictions of the mixture diffusion coefficients are made based on information on the self-diffusion coefficients of the pure components and the infinite-dilution diffusion coefficients. This is accomplished using information on the entropy of the mixture, which is taken here from molecular-based equations of state. Examples for the application of the entropy scalin

SUBMITTER: Schmitt S 

PROVIDER: S-EPMC11914492 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature