Open Access. Powered by Scholars. Published by Universities.®

Engineering Commons

Open Access. Powered by Scholars. Published by Universities.®

Chemical Engineering

University of Tennessee, Knoxville

Doctoral Dissertations

2007

Articles 1 - 2 of 2

Full-Text Articles in Engineering

Methods For The Self-Consistent Determination Of Thermophysical Properties From Two-Phase Molecular Dynamics Simulations, Jared T. Fern Dec 2007

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 …


Spinning Carbon Fiber Precursors From 1-Butyl-3-Methylimidazolium Chloride Cellulose Solutions, Rhea J. Gelderloos-Sammons Aug 2007

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 …