Application of the rough hard sphere model to binary diffusion coefficients of organic compounds in dense CO2

Abstract

The rough hard sphere model was applied to binary diffusion coefficients D12 of organic compounds in dense CO2 at infinite dilution. The following correlation was obtained with selected literature D12 data : (AC)B=1.86γvw0.38 (AC)s(υ/υ0)−0.447 where (AC)B and (AC)s are the products of translational-rotational coupling parameter and correction to Enskog diffusion coefficient for binary diffusion and self diffusion, respectively, γvw is van der Waals diameter ratio for solute to solvent, v is CO2 molar volume and υ0 is close-packed hard sphere volume of CO2. A rough hard sphere model with the above relationship gives selected D12 data (488 data points) with average absolute deviation of 6.2%. © 1995, The Society of Chemical Engineers, Japan. All rights reserved.