Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 5 of 5
Full-Text Articles in Entire DC Network
Investigations Of The High Pressure Effects On Structural Properties And Co2 Adsorption Performance Of Mofs Using Vibrational Spectroscopy, Shan Jiang
Electronic Thesis and Dissertation Repository
The pre- and post-combustion carbon dioxide capture has drawn much attention in the past few decades owing to the increasing concentration of CO2 in the atmosphere. Among all the potential solid adsorbents for CO2 capture, metal-organic frameworks (MOFs) are a promising class of materials due to their large surface areas, high tunability and their high selectivity for gas adsorption applications. It has been widely demonstrated that the application of high external pressure in gigapascal level can substantially tune the structure, pore size and opening of porous material. Consequently, the structural, as well as gas adsorption properties of these …
Simulation And Software Development To Understand Interactions Of Guest Molecules Inporous Materials, Douglas M. Franz
Simulation And Software Development To Understand Interactions Of Guest Molecules Inporous Materials, Douglas M. Franz
USF Tampa Graduate Theses and Dissertations
The effect of inclusion of explicit polarization is investigated through several theoret- ical studies of crystalline porous materials herein. In addition to the use of Monte Carlo simulation for such studies, a robust molecular dynamics software is presented which is suitable for analyzing time dependent properties of gases or other molecules in porous materials and other condensed phase systems. Metal-organic frameworks (MOFs) are the main focus of the work included here, a relatively young class of materials originally in- troduced in the early 1990s. These are usually three dimensional crystalline nanoporous materials that exhibit unique properties such as gas separation, …
Bimetallic Systems For Heterogeneous Catalysis And Tuning Electronic Properties Of Functional Materials, Amy J. Brandt
Bimetallic Systems For Heterogeneous Catalysis And Tuning Electronic Properties Of Functional Materials, Amy J. Brandt
Theses and Dissertations
Throughout the past few decades, advancements have been made in altering monometallic materials through addition of a second metal to create a bimetallic material that displays enhanced properties over its monometallic components and optimized attributes toward the intended application. However, a lack of fundamental understanding of the interactions between the two metals and between the metals and their environment can hinder the process of designing enhanced functional materials with desirable properties. In this work, careful analysis of model catalysts and metal-organic frameworks (MOFs) is performed in ultrahigh vacuum, and evaluation of the catalytic activity of the catalysts and electronic properties …
Functional Porous Materials: Applications For Environmental Sustainability, Briana Amaris Aguila
Functional Porous Materials: Applications For Environmental Sustainability, Briana Amaris Aguila
USF Tampa Graduate Theses and Dissertations
Resource depletion, clean water shortages, and global climate change have led to environmental sustainability being of primary concern for both governmental and industrial practices. Current methods to address these challenges typically come as a double-edged sword, fixing one problem while contributing to another. As introduced in chapter one of this dissertation, adsorbent materials are seen as a promising alternative remediation system due to their low energy consumption and minimal chemical waste production. However, many traditional adsorbents, such as activated carbon, metal oxides, and resins, are hindered in practice. This is because they lack the structural tunability to have long-term effectiveness …
A Gas Flow-Through System For Hydrogen Isotopic Separation With Metal-Organic Frameworks, Katharine Harp Rigdon
A Gas Flow-Through System For Hydrogen Isotopic Separation With Metal-Organic Frameworks, Katharine Harp Rigdon
Honors Papers
In this thesis, we designed and built a gas flow-through system to study dynamic adsorption separation of hydrogen isotopes in metal-organic frameworks (MOFs). MOFs are porous, crystalline materials composed of metal complexes connected by organic linkers. They have been proposed as a cheaper, more energy efficient approach to hydrogen isotope separation than current industrial methods. We have previously found evidence of a zero-point energy-based separation mechanism for hydrogen isotopes in two MOFs: Co-MOF-74 and Cu(I)-MFU-4l. This mechanism, chemical affinity quantum sieving (CAQS), has been extensively studied under static equilibrium conditions. The system in this work was developed so that CAQS …