Date of Award

5-2016

Degree Type

Dissertation

Degree Name

Doctor of Philosophy

Major

Chemistry

Major Professor

John Z. Larese

Committee Members

T. Ffrancon Williams, George K. Schweitzer, Jaime A. Fernandez-Baca

Abstract

Molecular adsorption of short-chain linear perfluoroalkanes was studied by volumetric isotherm and by molecular dynamics simulation. Isotherms of perfluoroethane, perfluoropropane, and perfluorobutane gas were measured on clean surfaces of the graphite basal plane nanometer-scale cubic magnesium oxide (100). Each system was measured over a range of temperatures, and thermodynamic determinations of the entropies, enthalpies, and heats of adsorption were determined as a result. Potential phase transitions between the surface structures were identified, and the constant-coverage heats of adsorption for each system were determined. Comparisons to molecular dynamics simulations provided guidance in the assignment of phase diagrams, giving insights to the microscopic structural behaviors of the systems.

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