Engineering Commons^™

Spectroscopic And Kinetic Study Of Copper-Exchanged Zeolites For The Selective Catalytic Reduction Of Nox With Ammonia, Shane Adam Bates

Open Access Dissertations

The recent application of metal-exchanged, small-pore zeolites for use in the selective catalytic reduction (SCR) of NO_x with ammonia NH₃ for automotive deNO_x applications has been a great stride in achieving emission standard goals. Copper-exchanged SSZ-13 (Cu-SSZ-13), the small-pore zeolite in this study, has been shown to be very hydrothermally stable and active under conditions presented in the exhaust of the lean-burn diesel engine. In this work, detailed studies were performed to identify many aspects of the active site(s) in Cu-SSZ-13 in order to learn about the standard SCR mechanism.

A series of seven Cu-SSZ-13 samples were …

Mechanisms Of Microstructure Formation Under The Influence Of Ultrasonic Vibrations, Milan Rakita

Open Access Dissertations

Positive effects of ultrasound on crystallization have been known for almost 90 years. Application of ultrasound has been very successful in many industries, most notably in chemistry, creating a new branch of science - sonochemistry. However, ultrasonication has not found wide commercial application in the solidification processing. The reason for that is the complexity of underlying phenomena and the lack of predicting models which correlate processing parameters with the properties of a product. The purpose of this study is to give some contribution toward better understanding of mechanisms that lead to changes in the solidifying microstructure. It has been found …

Elucidation Of Chiral Recognition Mechanisms Of Solutes By Amylose Tris[(S)-Alpha-Methylbenzylcarbamate] Sorbent, Hung-Wei Tsui

Open Access Dissertations

Enantioselective separations of chiral molecules are important in various chemical fields, such as pharmaceuticals and agrochemicals industries. Polysaccharide-based sorbents have been widely used in chiral liquid chromatography. The recognition mechanisms which determine their enantioselectivities are not completely understood.

In this dissertation, the chiral recognition mechanisms of a widely used commercial sorbent, amylose tris[(S)-alpha-methylbenzylcarbamate], for benzoin (B) enantiomers were first studied. The HPLC data for benzoin with pure n-hexane as the mobile phase have been obtained. The behavior of sorbent-solute-hexane systems can be interpreted by considering only sorbent solute two-component interactions. Infrared (IR) spectra showed evidence of substantial hydrogen bonding (H-bonding) …

Atomistic Simulation Of Plasma Interaction With Plasma Facing Components In Fusion Reactors, Xue Yang

Open Access Dissertations

The interaction between plasma and fusion relevant materials is one of the critical issues in successfully using those materials in Tokamak reactors. This research uses molecular dynamics, kinetic Monte Carlo and binary collision approximation methods to model fusion relevant material bombarded by energetic particles to investigate retention, deposition, sputtering, erosion, blistering effects, diffusion, and so on.

The deuterium bombardment of monocrystalline tungsten was modeled by LAMMPS code using Tersoff type interatomic potential. The deuterium trapping rate, implantation depth, and stopping time in 600-2000 K tungsten bombarded by 5-100 eV deuterium atoms were simulated. Irradiated monocrystalline tungsten became amorphous prior to …

Propagation Of Sound In The Vicinity Of Rigid Porous Interfaces, Hongdan Tao

Open Access Dissertations

Propagation of sound in the vicinity of rigid porous interfaces is investigated systematically to facilitate the acoustical characterization of sound absorption materials for noise reduction applications. Various rigid porous interfaces are considered: (1) a semi-infinite porous layer; (2) a porous hard-backed surface; and (3) a porous impedance-backed layer. A closed-form solution and numerical methods are derived with respect to each rigid porous interface condition.

A modified saddle-point method is exploited to investigate the sound field emanating from a monopole source above and below a rigid porous interface. The solutions can be expressed in a form that resembles the classical Weyl-Van …

Utilizing Electron Microscopy And Spectroscopy Methods To Understand Water Structure And Water Doping, Lior Miller

Open Access Dissertations

Water is the second most common element in the universe and the most studied material on earth. Most of the studies concerning water are from the fields of chemistry and biology. Hence, the structure of water molecules and short range order and interactions are well characterized and understood. However, the collective arrangement of water molecules and the long range order are still missing. Understanding of this long range order in water is needed, as it is the key to many water activities.

To fill this gap, this study utilizes a new direct method for characterization of water in the vapor …

Applicability Of Continuum Fracture Mechanics In Atomistic Systems, Shao-Huan Cheng

Open Access Dissertations

By quantitating the amplitude of the unbounded stress, the continuum fracture mechanics defines the stress intensity factor K to characterize the stress and displacement fields in the vicinity of the crack tip, thereby developing the relation between the stress singularity and surface energy (energy release rate G). This G-K relation, assigning physical meaning to the stress intensity factor, makes these two fracture parameters widely used in predicting the onset of crack propagation. However, due to the discrete nature of the atomistic structures without stress singularity, there might be discrepancy between the failure prediction and the reality of nanostructured materials. Defining …