Physical Sciences and Mathematics Commons^™

Confinement Effects Of Solvation On A Molecule Physisorbed On A Metal Particle, Jacob Fosso Tande

Doctoral Dissertations

We describe and present results of the implementation of the surface and volume polarization for electrostatics~(SVPE) and the iso-density surface solvation models. Unlike most other implementation of the solvation models where the solute and the solvent are described with multiple numerical representation, our implementation uses a multiresolution, adaptive multiwavelet basis to describe both solute and the solvent. This requires reformulation to use integral equations throughout as well as a conscious management of numerical properties of the basis.

Likewise, we investigate the effects of solvation on the static properties of a molecule physisorbed on a spherical particle, modeled as a polarizable …

Understanding The Thermodynamic Behavior Of Nanoparticles To Tailor Polymer Nancomposite Structure, Mary Catherine Mutz

Doctoral Dissertations

The work presented in this dissertation is an attempt to understand the entropic and enthalpic forces that govern the dispersion and dissolution of nanoparticles in solutions and in thin polymer films with the end-goal of producing highly tailored products.

In the first part, neutron reflectivity was used to study the impact of nanoparticle presence on the surface segregation of deuterated polystyrene (dPS) in a polystyrene matrix. The impact of the presence of cylinders (carbon nanotubes), sheets (graphene), and spheres (polystyrene soft nanoparticles) on the surface segregation process and ultimate structure were examined. Experimental data indicate that the presence of the …

The Synthesis And Characterization Of Novel Group 13 Nanostructured Building Block Heterogeneous Silicate Catalysts, Joshua G. Abbott

Doctoral Dissertations

A building block approach and sequential addition methodology were utilized to prepare heterogeneous silicate catalysts containing atomically dispersed group 13 metal (B, Al, Ga) centers. The octa(trimethyltin) silsequioxane, Si8[sub]O12[sub](OSnMe3[sub])8[sub], was used as the building block for the synthesis of these materials. Reaction of the building block with a variety of group 13 metal chlorides led to the formation of cross-linked matrices. All prepared materials were characterized by gravimetric analysis, gas absorption, IR, and NMR. In addition, aluminum and boron samples where characterized by 27[sup]Al and 11[sup]B solid state NMR, and gallium samples were studied using x-ray absorption techniques.

Studies found …

Synthesis And Temperature-Induced Phase Transfer Behavior Of Thermosensitive Hairy Particles Between Aqueous Solution And A Hydrophobic Ionic Liquid, Jonathan Michael Horton

Doctoral Dissertations

This dissertation presents the synthesis of a family of thermosensitive polymer brush-grafted silica particles and the study of their thermally induced phase transfer behavior between water and a hydrophobic ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([EMIM][TFSA]). The hairy particles were prepared by surface-initiated atom transfer radical polymerization.

Chapter 1 describes the synthesis and phase transfer behavior of a series of 205 nm silica particles grafted with thermosensitive polymers of methoxyoligo(ethylene glycol) methacrylates. The hairy particles with sufficiently high lower critical solution temperatures underwent reversible and quantitative transfer between water and [EMIM][TFSA] in response to temperature changes. The transfer temperature (T_{tr …}

Synthesis And Characterization Of Functionalized Nanomaterials: Heterogeneous Palladium Catalyst And Lithium-Doped Graphene Oxide, Benjamin E Estes

Doctoral Dissertations

As the Earth's population increases and natural resources decrease in supply, the development of new methods for energy storage and the efficient production of industrial chemicals becomes ever more important to humanity. The development of new nanomaterials may offer technological advances in the fields of sustainable energy production and storage, chemical production, medicine, and many others. The emerging field of nanoscience blends chemistry, physics, and engineering to create new materials that take advantage of properties found only on the nanoscale.

In this work, mesoporous silica spheres are used as a support for nanoparticles of palladium. This nanomaterial is shown to …

Synthesis, Characterization And Self-Assembly Of Amphiphilic Block Copolymers, Xiaojun Wang

Doctoral Dissertations

This dissertation presents a review on state-of-the-art research of well-defined charged block copolymers, including synthesis, characterization, bulk morphology and self-assembly in aqueous solution of amphiphilic block polyelectrolytes. In Chapter 1, as a general introduction, experimental observations and theoretical calculations devoted towards understanding morphological behavior in charged block copolymer systems are reviewed along with some of the new emerging research directions. Further investigation of charged systems is urged in order to fully understand their morphological behavior and to directly target structures for the tremendous potential in technological applications. Following this background, in Chapters 2, 3, 4 and 5 are presented the …

Improving Analytical Utility Of Surface Enhanced Raman Spectroscopy Through Unique Lithographic Substrate Development, Sabrina Marie Wells

Doctoral Dissertations

Surface enhanced Raman spectroscopy (SERS) has the potential to be a useful analytical technique due to large signal enhancements. Unfortunately, SERS has several drawbacks, including a lack of reproducibility, which inhibits it from being a practical option. These large signals often arise from “hot spots” of extremely high enhancement on nanofeatured metallic substrates, the most common being comprised of aggregated silver colloid. It is difficult to reproducibly create these hot spots due to the randomness of the colloid substrates. However, through controlled substrate fabrication, many problems associated with SERS analysis can be overcome. Electron beam lithography (EBL) combined with reactive-ion …

Atomistic Simulations Of The Fusion-Plasma Material Interface, Mostafa Jon Dadras

Doctoral Dissertations

A key issue for the successful performance of current and future fusion reactors is understanding chemical and physical processes at the Plasma Material Interface (PMI). The material surfaces may be bombarded by plasma particles in a range of impact energies (1 eV - a few keV) and kept at a range of temperatures (300 - 1000 K). The dominant processes at the PMI are reflection and retention of impacting particles and sputtering (chemical and physical). Sputtering leads to surface erosion and pollution of the plasma, both of which degrade reactor performance. Retention influences the recycling of the plasma, and in …