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Theses and Dissertations--Chemical and Materials Engineering

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Computational Modeling Of The Heat Treatment Of White Oak Bound For Spirit Maturation, Kate E. Mclarney-Popham Jan 2025

Computational Modeling Of The Heat Treatment Of White Oak Bound For Spirit Maturation, Kate E. Mclarney-Popham

Theses and Dissertations--Chemical and Materials Engineering

Maturation of distilled spirits in white oak barrels is a long standing practice known to have great impact on spirit character. Much of this impact can be controlled by the thermal modification of the barrel, since thermal degradation of the wood determines what wood compounds are available to interact with the spirit during maturation. In this work, a computational model for the thermal degradation of wood was developed and, with flavor compound data from literature, was used to investigate the effect of heat treatment on lignin-derived flavor compounds. The computational model in this work accounted for three solid species, three …


Molecular Understanding And Design Of Deep Eutectic Solvents And Proteins Using Computer Simulations And Machine Learning, Usman Lame Abbas Jan 2024

Molecular Understanding And Design Of Deep Eutectic Solvents And Proteins Using Computer Simulations And Machine Learning, Usman Lame Abbas

Theses and Dissertations--Chemical and Materials Engineering

Hydrophobic deep eutectic solvents (DESs) have emerged as excellent extractants. A major challenge is the lack of an efficient tool to discover DES candidates. Currently, the search relies heavily on the researchers’ intuition or a trial-and-error process, which leads to a low success rate or bypassing of promising candidates. DES performance depends on the heterogeneous hydrogen bond environment formed by multiple hydrogen bond donors and acceptors. Understanding this heterogeneous hydrogen bond environment can help develop principles for designing high performance DESs for extraction and other separation applications. This work investigates the structure and dynamics of hydrogen bonds in hydrophobic DESs …


Sustained Release Systems For Endometrial Cancer, Claire E. Rowlands Jan 2024

Sustained Release Systems For Endometrial Cancer, Claire E. Rowlands

Theses and Dissertations--Chemical and Materials Engineering

Endometrial cancer (EC) is the sixth most common cancer in women worldwide and is the most common cancer of female reproductive organs. From 2007-2016 there has been a global rise in incidence of EC of 1.3 %. Typically, EC is treated with surgery, but at later stages surgery is less effective requiring chemotherapy and/or radiation therapy. These treatment options are less effective than surgery and there are very few FDA approved chemotherapies for EC. The minuscule number of effective treatment options as well as an increase in incidence shows the need for creating improved treatments for EC. There has been …


Mechanical And Adhesive Properties Of Supramolecular, Mussel-Inspired Hydrogels, Daniel Darby Jan 2023

Mechanical And Adhesive Properties Of Supramolecular, Mussel-Inspired Hydrogels, Daniel Darby

Theses and Dissertations--Chemical and Materials Engineering

The exceptional mechanical and adhesive properties of mussel byssal threads come from supramolecular interactions of ligands found in the proteins comprising them. Ligands can form hydrophobic interactions, π-π stacking interactions, and hydrogen bonds, but the strongest supramolecular interaction they demonstrate is metal-ligand coordination. Specifically, Histidine (His-) and nitrodopamine (nDOPA) ligands coordinate to metals in a bidentate fashion and take on tris-, bis-, and mono- modalities (3, 2, or 1 ligand per ion, respectively). The distribution of these modalities is controlled by equilibrium thermodynamics. These same ligands can be used as crosslinks in supramolecular hydrogel networks. Supramolecular hydrogel networks are dissipative, …


Inhalable Nanocomposites And Anticancer Agents For Cancer Therapy, Nathanael A. Stocke Jan 2015

Inhalable Nanocomposites And Anticancer Agents For Cancer Therapy, Nathanael A. Stocke

Theses and Dissertations--Chemical and Materials Engineering

Cancer is designated as the leading cause of mortality worldwide and lung cancer is responsible for nearly 30% of all cancer related deaths. Over the last few decades mortality rates have only marginally increased and rates of recurrence remain high. These factors, among others, suggest the need for more innovative treatment modalities in lung cancer therapy. Targeted pulmonary delivery is well established for treating pulmonary diseases such as asthma and provides a promising platform for lung cancer therapy. Increasing local deposition of anticancer agents (ACAs) and reducing systemic exposure of these toxic moieties could lead to better therapeutic outcomes and …


Generation Of Multicomponent Polymer Blend Microparticles Using Droplet Evaporation Technique And Modeling Evaporation Of Binary Droplet Containing Non-Volatile Solute, Venkat N. Rajagopalan Jan 2014

Generation Of Multicomponent Polymer Blend Microparticles Using Droplet Evaporation Technique And Modeling Evaporation Of Binary Droplet Containing Non-Volatile Solute, Venkat N. Rajagopalan

Theses and Dissertations--Chemical and Materials Engineering

Recently, considerable attention has been focused on the generation of nano- and micrometer scale multicomponent polymer particles with specifically tailored mechanical, electrical and optical properties. As only a few polymer-polymer pairs are miscible, the set of multicomponent polymer systems achievable by conventional methods, such as melt blending, is severely limited in property ranges. Therefore, researchers have been evaluating synthesis methods that can arbitrarily blend immiscible solvent pairs, thus expanding the range of properties that are practical. The generation of blended microparticles by evaporating a co-solvent from aerosol droplets containing two dissolved immiscible polymers in solution seems likely to exhibit a …


A Multidisciplinary Techno-Economic Decision Support Tool For Validating Long-Term Economic Viability Of Biorefining Processes, Sumesh Sukumara Jan 2014

A Multidisciplinary Techno-Economic Decision Support Tool For Validating Long-Term Economic Viability Of Biorefining Processes, Sumesh Sukumara

Theses and Dissertations--Chemical and Materials Engineering

Increasing demand for energy and transportation fuel has motivated researchers all around the world to explore alternatives for a long-term sustainable source of energy. Biomass is one such renewable resource that can be converted into various marketable products by the process of biorefining. Currently, research is taking strides in developing conversion techniques for producing biofuels from multiple bio-based feedstocks. However, the greatest concern with emerging processes is the long-term viability as a sustainable source of energy. Hence, a framework is required that can incorporate novel and existing processes to validate their economic, environmental and social potential in satisfying present energy …


Thermo-Chemical Conversion Of Coal-Biomass Blends: Kinetics Modeling Of Pyrolysis, Moving Bed Gasification And Stable Carbon Isotope Analysis, Abhijit Bhagavatula Jan 2014

Thermo-Chemical Conversion Of Coal-Biomass Blends: Kinetics Modeling Of Pyrolysis, Moving Bed Gasification And Stable Carbon Isotope Analysis, Abhijit Bhagavatula

Theses and Dissertations--Chemical and Materials Engineering

The past few years have seen an upsurge in the use of renewable biomass as a source of energy due to growing concerns over greenhouse gas emissions caused by the combustion of fossil fuels and the need for energy independence due to depleting fossil fuel resources. Although coal will continue to be a major source of energy for many years, there is still great interest in replacing part of the coal used in energy generation with renewable biomass. Combustion converts inherent chemical energy of carbonaceous feedstock to only thermal energy. On the other hand, partial oxidation processes like gasification convert …


Characterization Of And Controlling Morphology Of Ultra-Thin Nanocomposites, Guy C. Laine Jan 2013

Characterization Of And Controlling Morphology Of Ultra-Thin Nanocomposites, Guy C. Laine

Theses and Dissertations--Chemical and Materials Engineering

Ultrathin film nanocomposites are becoming increasingly important for specialized performance of commercial coatings. Critical challenges for ultrathin film nanocomposites include their synthesis and characterization as well as their performance properties, including surface roughness, optical properties (haze, refractive index as examples), and mechanical properties. The objective of this work is to control the surface roughness of ultrathin film nanocomposites by changing the average particle size and the particle volume fraction (loading) of monomodal particle size distributions. This work evaluated one-layer and two-layer films for their surface properties. Monodispersed colloidal silica nanoparticles were incorporated into an acrylate-based monomer system as the model …