A special class of quantum channels, named subspace local (SL), are defined and investigated. The proposed definition of subspace locality of quantum channels is an attempt to answer the question of what kind of restriction should be put on a channel, if it is to act ‘locally’ with respect to two ‘locations’, when these naturally correspond to a separation of the total Hilbert space in an ortho...

Modification of titanium dioxide (TiO2) for H2 generation is a grand challenge due to its high chemical inertness, large bandgap, narrow light-response range and rapid recombination of electrons and holes. Herein, we report a simple process to prepare nanospherical like reduced graphene oxide (NS-rGO) decorated TiO2 nanoparticles (NS-rGO/TiO2) as photocatalysts. This modified TiO2 sample exhibi...

Separation of CO2 involving mixtures is relevant to the various industrial settings and preserving environment for which different classes materials including metal-organic frameworks (MOFs) have been researched. Herein, CO2/CO, CO2/H2, CO2/N2, H2S/CO2 separation properties zirconium MOFs are computationally investigated mimicking vacuum swing adsorption (VSA) process. Structure-performance rel...

The excitation and charge transfer cross sections are calculated for the collision of H+ and He2+ with H2 + molecular ions. This is the simplest example of collisions between ions and molecules or molecular ions since it involves only one electron. The results in this paper emphasize effects due to the alignment of the axis of the H2 + molecular ion relative to the atomic ion velocity vector an...

JDF-L1 is a microporous titanosilicate exhibiting a layer structure with pore sizes of about 3 Å. It is consequently an attractive material to separate H2-containing mixtures. This is the reason why JDF-L1, after disaggregation by means of hexadecyltrimethylammonium surfactant, has been combined with a carboxyl group containing copolyimide (6FDA4MPD/6FDA-DABA 4:1) to produce mixed matrix membra...

Two-dimensional (2D) materials with atomic thickness and extraordinary physicochemical properties exhibit unique mass transport behaviors, enabling them as emerging nanobuilding blocks for separation membranes. Engineering 2D materials into membrane with subnanometer apertures for precise molecular sieving remains a great challenge. Here, we report rational-designing external forces to precisel...

The synthesis of Mg3(NDC)3(DEF)4 (NDC = 2,6-naphthalenedicarboxylate, DEF = N,N-diethylformamide, 1), the first porous metal-organic framework solid incorporating Mg2+ ions, is reported. Its structure consists of linear Mg3 units linked via NDC bridges to form a three-dimensional framework, featuring one-dimensional channels filled with DEF molecules. Significantly, its framework is fully analo...

Title of Document: MODEL DEVELOPMENT AND VALIDATION OF PALLADIUM-BASED MEMBRANES FOR HYDROGEN SEPARATION IN PEM FUEL CELL SYSTEMS Atul Bhargav, Doctor of Philosophy, 2010 Directed By: Dr. Gregory S. Jackson, Associate Professor, Department of Mechanical Engineering Selective Pd-based membranes can extract near pure H2 from hydrocarbon reformate gases in liquid-fueled standalone proton exchange ...

The aim of this work theoretical study is to theoretically investigate a inorganic membrane assisted purifcation process of an H2-rich stream derived from a conventional methanol steam reforming stage. In particular, a black-box model for multicomponent gas mixture purifcation is dev...