Digital Commons Network^™

Methods For The Self-Consistent Determination Of Thermophysical Properties From Two-Phase Molecular Dynamics Simulations, Jared T. Fern

Doctoral Dissertations

There are many tools available to measure the thermophysical properties of compounds. Experimental measurements have been evolving for many years and are very accurate at determining the properties of most compounds. However, many of the measurements are unreliable when the compound of interest is thermally unstable.

Throughout the years molecular simulation techniques have been developed to understand the thermophysical properties of thermally unstable compounds. There are primarily two methods to study Vapor-Liquid Equilibrium by molecular simulation Gibbs Ensemble Monte Carlo and Molecular Dynamics. MD is a technique that allows one to simulate the vapor and the liquid in the same …

Study Of Interaction Between Indium Species And Dna In The Formation Of Dna -Templated Nanowires, Shivashankar Suryanarayanan

Doctoral Dissertations

A primary goal of semiconductor industry is to improve device performance and capability by downscaling feature size and upscaling packaging density. As optical-lithography, the mainstream technology for microfabrication, is being stretched to its limit, new unconventional fabrication techniques are being explored as alternatives. A "Bottom-up" approach for manufacturing is emerging as an answer to limitations posed by the traditional "Top-down" approach. Nanowires, bearing the potential of being the basic building blocks for such an approach, are gaining tremendous attention in nanoelectronics. Metal nanowires fabricated using DNA as templates have potential for precise control of length, diameter and positioning. However, wires …

Design And Development Of Microcantilever As A Platform For Moisture Sensing, Qi Chen

Doctoral Dissertations

Ultra-sensitive and selective moisture sensors are needed in various industries for processing control or environmental monitoring. As an outstanding sensor platform, microcantilevers have potential application in moisture detection due to their advantages, such as low-level moisture detection limits, high accuracy, quick response time, high reproducibility, good recovery rate and low in cost. Our research results will lead to the first of its kind for the commercialization of a microcantilever-based moisture sensor used for industrial and household applications. The novelty of the present work is the development of SiO2 and Si cantilevers, which were fabricated using developed processes and modified with …

Spinning Carbon Fiber Precursors From 1-Butyl-3-Methylimidazolium Chloride Cellulose Solutions, Rhea J. Gelderloos-Sammons

Doctoral Dissertations

Cellulose is an abundant natural renewable polymer that is used in the production of many materials. However, limited processibility and reduced solubility have restricted its use in fibers, films, and other products. Ionic liquids (IL) show promise as a new class of cellulose solvents.

The primary goal of this research was to spin highly oriented and highly crystalline cellulose fibers from an IL solution. These fibers, in addition to their environmentally advantageous processing, have potential as precursors for carbon fibers. The IL selected for this study was 1-butyl-3-methylimidazolium chloride, ([C₄mim]Cl). An elongational flow spinning technique was used to …

Enzymatic Synthesis And Characterization Of Oligopeptides, Co-Oligopeptides And Hydroxy Acid Capped Polypeptides In Mixed Aqueous Organic Media, Santhana Srinivasan

Doctoral Dissertations

"Proteolytic enzymes have been used for the synthesis of homo-oligomers and hydroxy acid capped peptides with amino acids and hydroxy acid esters as substrates in aqueous and aqueous organic biphasic and triphasic systems. However, successful incorporation of hydroxy acids in oligopeptide substrates has not been demonstrated. Use of monophasic media comprising of acetonitrile/water in which oligopeptide substrates were soluble was examined for the synthesis of oligomers of neutral and polar amino acids like Met, Tyr, Lys, Gly, Asp and Glu and tailored co-oligomers of Lys-Met and Arg-Met. Effect of reaction parameters such as starting substrate concentration, system composition, reaction time, …