Deskins, N Aaron
Density functional theory was used to study the effects of alloying Pd-Cu membranes on the binding energy of several hydrogen and sulfur containing molecules. The purpose of this study was to determine the benefits of alloying a Pd-Cu membrane for the purposes of hydrogen separation. It was found that the binding energy of most adsorbates decreased with the addition of copper to the membrane, regardless of the position of the copper layer. This results in a decrease in the total production of hydrogen in exchange for a cheaper, more resilient membrane.
Worcester Polytechnic Institute
Major Qualifying Project
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