Polymer and Organic Materials Commons^™

Structure-Force Field Generator For Molecular Dynamics Simulations, Carlos M. Patiño, Lorena Alzate, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first principle simulations of large molecules are still not possible because the high computational time and resources required. Other methods, such as molecular dynamics, allow the simplification of calculations by defining energy terms to describe multiple atom interactions without compromising accuracy significantly. A group of these energy terms is called a force field, and each force field has its own descriptions and parameters. The objective of this project was to develop a …

Usage Of Fomblin Y To Improve Water Repellence Of Surface Coatings, Shawn Pj Kirby, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Fluoro-Decyl POSS (FDP) has shown strong potential as a water repellant surface coating. Additionally, Fomblin is a solvent believed to have the ability to control the crystallization of POSS compounds on surfaces. Controlling the crystallization is key to improving water repelling abilities of surfaces. Thus, dip coating FDP and Fomblin onto surfaces is being investigated for water repulsion, mechanical stability, and deposition feasibility. Relative water repelling abilities of different coatings were determined by measuring contact angle of surfaces with water. Coatings with and without POSS and Fomblin were compared. It was shown that the surfaces treated with both POSS and …

Usage Of Fomblin Y To Improve Water Repellence Of Surface Coatings, Shawn Pj Kirby, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Fluoro-Decyl POSS (FDP) has shown strong potential as a water repellant surface coating. Additionally, Fomblin is a solvent believed to have the ability to control the crystallization of POSS compounds on surfaces. Controlling the crystallization is key to improving water repelling abilities of surfaces. Thus, dip coating FDP and Fomblin onto surfaces is being investigated for water repulsion, mechanical stability, and deposition feasibility. First, temperature dependence of solubility of Fluoro-Decyl POSS in Fomblin was tested using Dynamic Light Scattering. Relative water repelling abilities of different coatings were determined by measuring contact angle of surfaces with water. Coatings with and without …

Comparative Solubility Of Poss Compounds In Fomblin Y, Shawn Pj Kirby, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Fluoro-Decyl POSS (FDP) has shown strong potential as a water repellant surface coating. Additionally, Fomblin is a solvent believed to have the ability to control the crystallization of POSS compounds on surfaces. Controlling the crystallization is key to improving water repelling abilities of surfaces. Thus, dip coating FDP and Fomblin onto surfaces is being investigated for water repulsion, mechanical stability, and deposition feasibility. However, in order for this to be successful, POSS must be soluble in Fomblin. Temperature dependence of solubility of Fluoro-Hexyl, Fluoro-Octyl, Fluoro-Decyl POSS in Fomblin was tested using Dynamic Light Scattering. The values were compared, and it …

Cellulose Reinforced Thermoplastic Composites By In-Situ Ring-Opening Polymerization, Shahab Kashani Rahimi

Dissertations

Over the past two decades, the increasing concern about the negative environmental impacts of synthetic materials has led to rising interests in utilizing renewable natural resources to develop polymer materials with comparable properties and performance to their synthetic counterparts. One of the major fields of interest is polymer composites where the replacement of synthetic fibers with bio renewable natural fibers is of great potential. However, the processing difficulties, in terms of fiber dispersion and thermal stability have limited the application of cellulosic fibers to polymers with low processing temperatures which are mostly hydrophobic polymers. As a result, the true reinforcing …

Membranes For Food And Bioproduct Processing, Alexandru Marius Avram

Graduate Theses and Dissertations

Modified membranes for process intensification in biomass hydrolysis

Production of biofuels and chemicals from lignocellulosic biomass is one of the leading candidates for replacement of petroleum based fuels and chemicals. However, conversion of lignocellulosic biomass into fuels and chemicals is not cost effective compared to the production of fuels and chemicals from crude oil reserves. Some novel and economically feasible approaches involve the use of ionic liquids as solvents or co-solvents, since these show improved solvation capability of cellulose over simple aqueous systems. Membranes offer unique opportunities for process intensification which involves fractionation of the resulting biomass hydrolysate leading to …

Molecular Dynamics Modeling And Simulation Of Bitumen Chemical Aging, Farshad Fallah

Department of Civil and Environmental Engineering: Dissertations, Theses, and Student Research

Chemical aging of asphalt binder leads to significant changes in its mechanical and rheological properties, resulting in poor pavement behavior and distress. Various laboratory methods have been used to simulate asphalt aging during the service life of the pavement. However, controversy exists regarding the capability of these methods to predict field aging, as various factors interact with the pavement during service and the mechanism behind aging is not fully understood. The two main outcomes of chemical aging are oxidation of asphalt molecules, and change in asphalt SARA (saturate, aromatic, resin, and asphaltene) fractions. Reaction of oxygen with asphalt components forms …

Synthesis,Structure And Properties Of Ruthenium Polypyridyl Metalloligand Based Metal-Organic Frameworks, Mamatha Polapally

Masters Theses & Specialist Projects

Metal-organic frameworks (MOFs) have been extensively studied because of their amazing applications in gas storage, purification, photocatalysis, chemical sensing, and imaging techniques. Ruthenium polypyridyl complexes have been broadly considered as photosensitizers for the conversion of solar energy and photoelectronic materials. With this aspect, we have synthesized three new ruthenium polypyridyl based MOFs ([Ru(H2bpc)Cu(bpc)(Hbpc)2(H2O)]·5H2O (1), [Ru(H2bpc)(Fe(bpc)(Hbpc)2(H2O)2]·6H2O (2) and [Ru(H2bpc)Ni(bpc)(Hbpc)2(H2O)2]·6H2O (3)) from ruthenium(III) chloride, bpc (2,2’- bipyridine-4,4’-dicarboxylic acid) ligand, and 3d M(II) metal ions (M(II)= Cu(II), Fe(II), Ni(II)). These MOFs were synthesized under hydro or solvothermal conditions by using water, ethanol or methanol as solvents. The crystal structures of the new compounds …

A Study In The Use Of Elastic Materials In Expandable Containment Units, Andrew J. Eisenman, Joby Anthony Iii, David Satagaj

Montview Journal of Research & Scholarship

The rigidity of materials in conjunction with the aspect of elasticity has been a concern of modern technologies and construction in recent centuries because of the advantages that expandable storage would bring to the fields of containment units with respect to population growth and space exploration. The world population is currently growing at an exponential rate, and as our population grows, the more important it will become to have containment units that can both contain large volumes of material as well as minuscule amounts of material without wasting space. In order accomplish this, we will need a new type of …

The Relationship Between Structural Parameters And Mechanical Properties Of Cactus Spines, Jorge Armando Martinez, Pamela Liz Szeto, Theresa Mae Stewart

Materials Engineering

Considering an increasing interest in renewable, biodegradable resources that exhibit excellent mechanical properties, 24 species of cactus spines were investigated using three-point bend testing, X-ray diffraction (XRD) for structural parameters, and scanning electron microscopy (SEM) to analyze fracture surfaces. Additionally, a density of about 1.3 g/cm3 was measured for each spine utilizing the displacement method, closely matching existing data from literature. The flexural modulus varied greatly between species, ranging from 1.22 GPa (Echinocactus polycephalus) to 43.58 GPa (Stenocereus thurberi). In addition, flexural strength and strain to failure was also measured for each spine. XRD analysis of …

Selective Depolymerization Of Industrial Hemp And Its Effects On Thermal Resistivity, Tanner J. Jolly

Materials Engineering

There is a growing shift within the construction materials industry towards green and sustainable building products. Spending in this area has increased 5 fold since 2011 to a total revenue of $70 billion. An area of particular interest has been aimed at replacing fiberglass batt insulation with cellulose. Cellulose is the most abundant polymer on earth, and has potential to replace petroleum derived insulations. This project explores the potential of selectively isolating cellulose by depolymerizing the support structures found in lignocellulosic materials – specifically lignin and hemicellulose. The current focus is on isolating cellulose from Cannibas sativa, but more …

Life Cycle Sustainability Analysis (Lcsa) Of Polymer-Based Piping For Plumbing Applications, Andy J. Rivas Bolivar

Senior Honors Projects, 2010-2019

Water conveyance systems play a critical role in modern developed areas. Polymer pipes have been used for about a century, and their convenient physical properties have positioned polymers as the leading material in the piping industry. Having such influence in the market means that changes in current material selection and manufacturing could lead to significant reductions in the footprint associated with their products. Currently, there are no comparative lifecycle assessments that evaluate the different polymer selections commercially available, which makes it hard to determine what products have the least impact on the environment. Understanding how such impacts are relative to …

An Investigation Of The Use Of Cerium And Polyhedral Oligomeric Silsesquioxanes For The Protection Of Polymeric Epoxy Compounds In The Low Earth Orbit Environment, Jessica Miriam Piness

Dissertations

Low Earth orbit presents many hazards for composites including atomic oxygen, UV radiation, thermal cycling, micrometeoroids, and high energy protons. Atomic oxygen and vacuum ultraviolet radiation are of concern for space-bound polymeric materials as they degrade the polymers used as matrices for carbon fiber composites, which are used in satellites and space vehicles due to their high strength to weight ratios. Epoxy-amine thermosets comprise a common class of matrix due to processability and good thermal attributes. Polyhedral oligomeric silsesquioxanes (POSS) have shown the ability to reduce erosion in polyimides, polyurethanes, and other polymers when exposed to atomic oxygen. The POSS …

Formation Of Nanostructured Epoxy Networks Containing Polyhedral Oligomeric Silsesquioxane (Poss) And Silica Nanoparticles, Amit K. Sharma

Dissertations

This dissertation is focused on structure-property-processing relationship studies based on well-defined polyhedral oligomeric silsesquioxane (POSS) modified epoxy networks to present a comprehensive understanding of hybrid network behavior. In this research, a monoamine functional POSS molecule is incorporated into the epoxy monomer as pendant unit to mimic common epoxy structures and then crosslinked to form well-defined epoxy hybrid networks. The POSS cages behave as nanosized pendant unit in the epoxy matrices, while the mass fraction of POSS cages is varied and the effects on physical properties are examined with respect to changes in network architecture.

A novel continuous reactor method is …

Design And Synthesis Of Polymer Brush Surfaces With Complex Molecular Architectures And Morphologies, Wei Guo

Dissertations

The combination of surface-initiated polymerization (SIP) and postpolymerization modification (PPM) is a powerful technique for the fabrication of functional soft surfaces. Better understanding the influence of the aforementioned factors on the PPM effectiveness is valuable for fulfilling the potential of the PPM approach for the fabrication of functional soft surfaces. Specifically, by carefully balancing modification reactivity and limitation of mass transport, polymer brush with composition heterogeneity and gradient along the normal direction of the surface otherwise unattainable by methods of direct polymerization can be fabricated via the PPM approach which opens doors to new routes to polymer brush with complex …

Effect Of Chain Rigidity On Network Architecture And Deformation Behavior Of Glassy Polymer Networks, Kyler Reser Knowles

Dissertations

Processing carbon fiber composite laminates creates molecular-level strains in the thermoset matrix upon curing and cooling which can lead to failures such as geometry deformations, micro-cracking, and other issues. It is known strain creation is attributed to the significant volume and physical state changes undergone by the polymer matrix throughout the curing process, though storage and relaxation of cure-induced strains remain poorly understood. This dissertation establishes two approaches to address the issue. The first establishes testing methods to simultaneously measure key volumetric properties of a carbon fiber composite laminate and its polymer matrix. The second approach considers the rigidity of …

Polyisobutylene Telechelic Prepolymers By In Situ End-Quenching And Post-Polymerization Modifications, Bin Yang

Dissertations

This volume focuses on the development of telechelic polyisobutylene (PIB) prepolymers by combining end-capping of living carbocationic polymerization of isobutylene (IB) with suitable reactants and post-polymerization modifications. Alkylation kinetics of PIB tert-chloride with alkoxybenzenes using either TiCl₄ or AlCl₃ were investigated. Quantitative para-position end-capped products were only achieved if the alkoxybenzene/AlCl₃ molar ratio was greater than unity; while no such molar ratio is required for TiCl₄, but the alkylation rate was slower than AlCl₃ under the same conditions. Photopolymerization kinetics analysis of PIB triphenol tri(meth)acrylates with low and high M_ns, …

Negahban Group Report: Saw-Tooth Shear Response Of Aged Poly(Methyl Methacrylate) (Pmma), Mehrdad Negahban

Department of Mechanical and Materials Engineering: Faculty Publications

Results for isothermal saw-tooth shear loading experiments conducted on annealed and oven-cooled poly(methyl methacrylate) (PMMA) at temperatures between 50^oC and 140^oC. The experiments were conducted 1996.

Dual Mechanism For Toughening And Sustained Aminoglycoside Elution From A Polyphosphate Hydrogel, Dwight D. Lane, Russell J. Stewart Phd

Biomedical Engineering Western Regional Conference

No abstract provided.

Effect Of Liquid Contamination On Hermeticity And Seal Strength Of Flexible Pouches With Lldpe, Francesca Delle Cese, Koushik Saha, S. Roy, Jay Singh

Journal of Applied Packaging Research

Flexible packaging is a growing successful market and the majority of flexible package applications are for the food industry. The demand for process optimization and reduced production costs, has led to an increase in flexible packaging. However, fast production lines can result in contamination in the seal area. For flexible food packaging, contamination is considered any food particle or substance trapped in the seal area. Current quality control processes can detect contamination in the seal area, but it is not determined if seal contamination affects seal quality. Oil-based and sodium based snack foods are two common categories that can be …