Diffusivities in 1-Alcohols Containing Dissolved H2, He, N2, CO, or CO2 Close to Infinite Dilution

• DOI: 10.1021/acs.jpcb.9b06211
• Publication Date: 2019-09-19T17:03:16Z
• Authors: Wenchang Wu; Tobias Klein; Manuel Kerscher; Michael H. Rausch; Thomas M. Koller; Cédric Giraudet; Andreas P. Fröba
• Keywords: Dilution; Molar mass; Mole fraction

The influence of the strength intermolecular interactions on mass diffusive processes remains poorly understood for mixtures associative liquids with dissolved gases. For contributing to a fundamental understanding interplay between liquid structures and diffusivities in such systems, dynamic light scattering, Raman spectroscopy, molecular dynamics simulations were used this work. As model binary consisting gases hydrogen, helium, nitrogen, carbon monoxide, or dioxide ethanol, 1-hexanol, 1-decanol selected. Experiments performed at macroscopic thermodynamic equilibrium close infinite dilution solute temperatures 303 423 K. Fick diffusion coefficients self-diffusivities gas solutes increase increasing temperature, decreasing alkyl chain length 1-alcohols, molar except helium hydrogen showing opposite behavior. analysis structure showed that fraction hydrogen-bonded alcohol molecules decreases temperature. From obtained structure–property relationships, new correlation was developed predict n-alkanes 1-alcohols within 10% average.