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Catalytic Oxidation of Nitric Oxide Using Hyper-Cross-Linked Porous Polymers: Impact of Physiochemical Properties on Conversion Efficiency
(State University of New York at Buffalo, 2018)
Emissions of nitrogen oxides (NOx) to the atmosphere remain a threat to human health and the environment despite stringent regulations and decades of control technology development. A majority of emitted NOx is generated ...
Development of free energy methods to study wetting behavior with molecular dynamics
(State University of New York at Buffalo, 2018)
This dissertation focuses on developing molecular simulation methods to understand the wetting behavior of fluids. Within our group, we have developed an interface potential based approach for determining the interfacial ...
Polymer Nanostructures for Cancer Imaging and Therapy
(State University of New York at Buffalo, 2018)
Polymer nanostructures are promising carriers of diagnostic and/or therapeutic agents for cancer imaging and/or therapy. This dissertation presents five different novel polymer nanostructures, including polymer nanocapsules, ...
Interfacial Properties of Carbon Dioxide–Water–Silica from Expanded Ensemble Monte Carlo Simulations
(State University of New York at Buffalo, 2018)
This dissertation demonstrates the use of expanded ensemble Monte Carlo simulations to compute the bulk phase coexistence conditions of CO2–H2O mixtures and the interfacial properties of these mixtures over model silica ...
Holey Graphene Oxide Membranes for Water Desalination
(State University of New York at Buffalo, 2018)
Holey reduced graphene oxide (r-HGO) was investigated for next-generation nanofiltration membranes for water desalination. The GO nanosheets were first etched with hydrogen peroxide to create holes to enhance the water ...
Photocatalysis and Photo-electrocatalysis Methods of Nitrogen Reduction for Sustainable Ammonia Synthesis
(State University of New York at Buffalo, 2019)
Ammonia (NH3) is one of the essential chemicals as a fertilizer and as a starting reagent for various chemicals with a production expectation of 200 million tonnes for 2018. With the development of renewable energy ...
Fluorinated Polystyrene-b-polybutadiene-b-polystyrene (SBS) for Membrane Gas Separation
(State University of New York at Buffalo, 2019)
Fluorine-containing polymers are of interest as materials for gas separation membranes due to their good gas separation properties, chemical resistance, and thermal stability. In this study, polystyrene-b-polybutadiene-b ...
Amphiphiles at Interfaces: Fundamentals and Applications in Dispersions
(State University of New York at Buffalo, 2019)
The nanoscale organization of nonionic amphiphilic molecules in bulk aqueous solution and on interfaces leads to unique micro- and macroscopic material properties beneficial to a variety of applications and industries. A ...
Self-Assembly of Nonionic Surfactants
(State University of New York at Buffalo, 2019)
The self-assembly of nonionic surfactants in aqueous solution has been extensively investigated because of its various applications. The nonionic surfactants under research here are all Guerbet hydrophobic C10 branched ...
Advanced polymeric membranes for hydrogen purification and carbon dioxide capture
(State University of New York at Buffalo, 2018)
CO2 capture, sequestration, and utilization is a critical path to mitigate the CO2 emissions to the environment. An important strategy is to decarbonize fossil fuels and produce H2 and CO2 at high temperatures. The resulting ...