Bruce A. Kowert, Ph.D.
Department of Chemistry
B.S., University of Texas-Austin, 1964
Ph.D., University of Texas-Austin, 1971
The translational diffusion constants for nonpolar solutes such as alkylbenzenes and 1-alkenes are being measured in nonpolar solvents (n-alkanes, methyl-substituted alkanes, and cycloalkanes) using microcapillaries and the Taylor dispersion method. The results are compared with the predictions of several models, including cylinder and lollipop diffusion. Bead hydrodynamic models have been used to analyze the translational diffusion of chain molecules as have the results of molecular dynamics simulations.
The determination of rotational diffusion constants of paramagnetic solutes using electron spin resonance also remains of interest as does the interpretation of the diffusion constants in terms of temperature, solvent viscosity, and interactions between the solute and solvent. Electronic structure calculations have been used to aid in these analyses. When possible, the results of translational and rotational diffusion experiments for a given solute-solvent system are compared.