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David Sholl of Carnegie Mellon presents Using Atomically-detailed Models to Accelerate Materials Discovery for Hydrogen Purification and Storage as part of ChBE's Fall 2006 Seminar Series.
Refreshments will be served from 3:30-4:00PM
The seminar will be held 4:00-5:00PM
Abstract
Hydrogen is one attractive fuel to replace liquid hydrocarbons for transportation and
other energy-reliant applications. Many interesting challenges exist to develop materials for
economically-viable production, purification, and storage of hydrogen. I will describe how first
principles calculations are being incorporated into strategies to screen large numbers of potential
materials for these applications with the goal of accelerating experimental efforts to identify new
materials. Examples will be given involving the use of metal alloys as membranes for hydrogen
purification and complex metal hydrides as materials for reversible hydrogen storage. These
examples will illustrate several ideas crucial in the intersection of fundamental science and
engineering applications of new materials.
