Binary Diffusion Coefficients for Short Chain Alcohols in Supercritical Carbon Dioxide-Experimental and Predictive Correlations

Molecules. 2023 Jan 12;28(2):782. doi: 10.3390/molecules28020782.

Abstract

Experimental binary diffusion coefficients for short-chain alcohols in supercritical carbon dioxide were measured using the Taylor dispersion technique in a temperature range of 306.15 K to 331.15 K and along the 10.5 MPa isobar. The obtained diffusion coefficients were in the order of 10-8 m2 s-1. The dependence of D on temperature and solvent density was examined together with the influence of molecular size. Some classic correlation models based on the hydrodynamic and free volume theory were used to estimate the diffusion coefficients in supercritical carbon dioxide. Predicted values were generally overestimated in comparison with experimental ones and correlations were shown to be valid only in high-density regions.

Keywords: FTIR; Taylor dispersion technique; Widom line; butanol; ethanol; methanol; propanol; supercritical carbon dioxide.