Chemistry Commons^™

Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath

LSU Doctoral Dissertations

The mechanisms of ambient-temperature reactions of heteroatomic compounds catalyzed by ceria (CeO₂), an archetypical reducible oxide, for enzyme mimetics, environmental protection, and chemical synthesis are investigated in this dissertation using theoretical methods. CeO₂ is modeled with thermodynamically stable low-index surfaces exposed by commonly studied ceria thin films and nano particles. To understand phosphatase-like dephosphorylation activity, stable adsorption states and surface reactions of model phosphates are examined. Binding of the central P-atom to surface lattice oxygen (O_latt) supplemented by phosphoryl O-Ce interaction is the only stable adsorption state for the un-dissociated molecule. Deprotonation of phosphate monoesters, …

Degumming Of Hemp Fibers Using Combined Microwave Energy And Deep Eutectic Solvent, Bulbul Ahmed

LSU Master's Theses

Hemp is considered as one of the sustainable agricultural fiber materials. Degumming or surface modification of hemp bast is needed to produce single fibers for ensuing textile and industrial applications. The traditional degumming process necessitates a high amount of alkali, which causes detrimental environmental pollution. This study offers a new method to degum hemp fibers with reduced use of harmful alkali and precious water resources. In this work, hemp bast fibers were degummed by using combined microwave energy and deep eutectic solvent (DES). The properties of hemp fibers manufactured by this method were investigated and compared with the traditional alkali …

Adsorption And Transport Of Colloids At Interface And In Bulk, Jingyun Lee

LSU Doctoral Dissertations

Colloids are suspensions of microscopic insoluble particles dispersed in a continuum phase such as liquid or gas. Colloids are found in our everyday life from food and cosmetic industries to pharmaceutical and biomedical applications. Depending on a global minimum of the free-energy landscape, colloidal suspensions can be classified as two major classes: equilibrium or active colloidal system. This Ph.D dissertation presents strategies to engineer equilibrium self-assembled structures and out-of-equilibrium active matter using various interparticle forces.

First, we introduce the means to promote the equilibrium self-assembled structures driven by adsorption of colloids at interface. Typically, adsorption of colloids at interface is …

A Systematic Multiscale Investigation Of Nanoparticle-Assisted Co2 Enhanced Oil Recovery (Eor) Process For Shale Oil Reservoirs, Dayo A. Afekare

LSU Doctoral Dissertations

Shale oil reservoirs are prolific on the short term due to hydraulic fracturing and horizontal drilling but experience significant production decline, leading to poor ultimate recovery and leaving billions of barrels of oil buried in the ground. In this study, a systematic multi-scale investigation of an enhanced oil recovery (EOR) process using relatively inexpensive silicon dioxide nanoparticles and carbon dioxide for shale oil reservoirs was conducted. Using the Tuscaloosa Marine Shale (TMS) as a case study, aqueous dispersions of nanosilica in conjunction with CO₂ were investigated at nano-to-core scales. At the nanoscale, atomic force microscope was used to investigate …

Adsorption And Reconfiguration Of Amphiphiles At Silica-Water Interfaces: Role Of Electrostatic Interactions, Van Der Waals Forces And Hydrogen Bonds, Yao Wu

LSU Doctoral Dissertations

The ability to explore and predict metastable structures of hybrid self-assemblies is of central importance for the next generation of advanced materials with novel properties. As compared to their thermodynamically stable forms, the kinetically stabilized materials show improved functionality potentially over their stable counterparts. The self-assembly processes usually originate from weak intermolecular interactions, involving a dynamic competition between attractive and repulsive interactions. These weak forces, including van der Waals (vdW), electrostatic interaction and the hydrogen bonding (H-bonding), can be tuned by external stimuli, e.g., confinement, temperature and ionization, and consequently driving hybrid materials into different configurations. It is challenging to …

The Effects Of Temperature On The Yields Of Aliphatic And Aromatic Products From The Supercritical Pyrolysis Of 1-Octene, Elizabeth Anne Hurst

LSU Doctoral Dissertations

Prior to their combustion, fuels for future high-speed aircraft are expected to experience supercritical conditions, leading to the production of polycyclic aromatic hydrocarbons (PAH), precursors to solid carbonaceous deposits, via pyrolytic reactions. These solid deposits can clog fuel-transfer lines, causing unsafe aircraft operation. To prevent the formation of fuel-line deposits, it is critical to understand the reaction pathways that lead to PAH formation in the supercritical fuel pyrolysis environment.

To better understand the role of large 1-alkenes in PAH formation, supercritical pyrolysis experiments with model fuel 1-octene, a representative 1-alkene product from supercritical n-alkane pyrolysis, have been performed. The …

High-Throughput Assessment Of A Novel, Thiol-Acrylate Hydrogel For Tumor Spheroid Synthesis In A Microfluidic Device, Nathan Daniel Kersker

LSU Master's Theses

The extracellular environment plays an important role in regulating cell behavior. The mechanical, structural, and compositional properties of the extracellular matrix can determine the fate of the growing cells. Standard two-dimensional culturing in a flask fails to represent a native cellular environment. To create the native environment suitable for cells, hydrogels were previously studied. One of the most extensively studied synthetic hydrogels was a poly(ethylene glycol diacrylate) (PEGDA) hydrogel. However, the need for UV polymerization may introduce unwanted changes in cell morphology and viability. The hydrogel being proposed was a form of a thiol-acrylate hydrogel that can eliminate this problem …