Now showing items 1-6 of 6
Computational investigations of molecular transport processes in nanotubular and nanocomposite materials
(Georgia Institute of Technology, 2009-02-12)
The unique physical properties of nanomaterials, attributed to the combined effects of their size, shape, and composition, have sparked significant interest in the field of nanotechnology. Fabrication of nanodevices using ...
Accelerating development of metal organic framework membranes using atomically detailed simulations
(Georgia Institute of Technology, 2009-10-15)
A new group of nanoporous materials, metal organic frameworks (MOFs), have emerged as a fascinating alternative to more traditional nanoporous materials for membrane based gas separations. Although hundreds of different ...
Computational studies of transition metal nanoclusters on metal-supported graphene moiré
(Georgia Institute of Technology, 2014-03-26)
The graphene moiré superstructure formed on Ru(0001) (g/Ru(0001)) has shown the potential as a template to self-assemble super-lattices of metal nanoparticles as model catalysts. To explore the possibility of rational ...
Computational assessment of zeolitic imidazolate frameworks for kinetic gas separations
(Georgia Institute of Technology, 2017-07-27)
Industrial separations of light gases and hydrocarbons are currently performed with well-established energy and capital intensive distillation. Within the last decade, certain research advances have energy suppliers focused ...
Computational discovery of metal-organic frameworks for separations of organic molecules
(Georgia Institute of Technology, 2015-07-09)
The separation of para-xylene from a stream of mixed xylenes and ethylbenzene is critical for the large-scale production of plastics in the petrochemical industry. Several groups have identified metal-organic frameworks ...
Control of diffusive time scales in zeolitic imidazolate frameworks for the kinetic separation of light hydrocarbons
(Georgia Institute of Technology, 2018-04-03)
The goal of this thesis is to investigate new sorbent materials for the kinetic separation of light hydrocarbons and incorporate them into a viable mass transfer contactor for use in a pressure swing adsorption unit. Three ...