David S. Sholl
The Michael E. Tennenbaum Family Chair & GRA Eminent Scholar for Energy Sustainability
Contact Information
Building: Ford ES&T Building
Office:
2214
Phone: 404.894.2822
Fax: 404.894.2866
email
Mailing Address
Georgia Institute of Technology
School of Chemical &
Biomolecular Engineering
311 Ferst Drive, N.W.
Atlanta, GA 30332-0100
Links
David S. Sholl
Education
B.Sc. 1992, The Austrialian National University
M.Sc. 1993, University of Colorado
Ph.D. 1995, University of Colorado
Research Interests
Dr. Sholl's research focuses on materials whose macroscopic dynamic and thermo-dynamic properties are strongly influenced by their atomic-scale structure. Much of this research involves applying computational techniques such as molecular dynamics, Monte Carlo simulations and quantum chemistry methods to materials of interest. Current topics include:
Molecular Transport Through Nanoporous Materials
The nanoscale pores that permeate zeolites and other molecular sieves make them ideal materials for many applications requiring shape-selective catalysis and separations. We are investigating the macroscopic response of microporous membranes to multicomponent sorbate mixtures using a combination of molecular simulations and nonequilibrium thermodynamics with an emphasis on computational screening of novel materials for membrane applications.
Adsorption of Chiral Molecules on Structured Metal Surfaces
The separation or synthesis of enantiomerically pure chemicals is a vital step in producing many drugs and agrochemicals. We are studying the stereospecific adsorption properties of chiral organic molecules adsorbed on bare stepped metal surfaces and on flat metal surfaces that have been precovered with chiral templates. These systems provide an ideal environment for probing the fundamental mechanisms of enantioselective heterogeneous catalysis.
Hydrogen Purification and Storage Using Metal Hydrides
Hydrogen purification and storage is an important issue in many existing and future large-scale applications. The dissolution of hydrogen into the interstitial sites of metals already forms the basis of well developed purification and storage technologies. We are using rigorous computational models in collaboration with several experimental teams to develop high performance metal alloys for these applications.