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

Nanoscience and Nanotechnology Commons

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

PDF

Theses/Dissertations

2012

Discipline
Institution
Keyword
Publication

Articles 1 - 30 of 81

Full-Text Articles in Nanoscience and Nanotechnology

Controlled Synthesis Of One Dimensional Nanostructured Materials And Their Applications As Catalyst Supports In Proton Exchange Membrane Fuel Cells, Mohammad Norouzi Banis Dec 2012

Controlled Synthesis Of One Dimensional Nanostructured Materials And Their Applications As Catalyst Supports In Proton Exchange Membrane Fuel Cells, Mohammad Norouzi Banis

Electronic Thesis and Dissertation Repository

Nanomaterials have attracted significant interest in the past decade due to their unique structure and properties compared to their bulk counterparts. Nanomaterials-based solutions can address challenges in various technologies such as proton exchange membrane fuel cells (PEMFCs). PEMFC is an innovative energy conversion technology to directly convert chemical energy to electrical energy by using hydrogen as fuel. However, the current PEMFC system still faces significant technological roadblocks which have to be overcome before the system can become economically viable. A major impediment to the commercialization of PEMFC is the high cost of materials and manufacturing and stability, which is primarily …


Quantum Dot Deposition Into Pdms And Application Onto A Solar Cell, Christopher Marcus Botros, Richard N. Savage Dec 2012

Quantum Dot Deposition Into Pdms And Application Onto A Solar Cell, Christopher Marcus Botros, Richard N. Savage

Master's Theses

Research to increase the efficiency of conventional solar cells is constantly underway. The goal of this work is to increase the efficiency of conventional solar cells by incorporating quantum dot (QD) nanoparticles in the absorption mechanism. The strategy is to have the QDs absorb UV and fluoresce photons in the visible region that are more readily absorbed by the cells. The outcome is that the cells have more visible photons to absorb and have increased power output. The QDs, having a CdSe core and a ZnS shell, were applied to the solar cells as follows. First, the QDs were synthesized …


Silica Nanoparticle-Based Coatings With Superhydrophilic And Superhydrophobic Properties, Robert Andrew Fleming Dec 2012

Silica Nanoparticle-Based Coatings With Superhydrophilic And Superhydrophobic Properties, Robert Andrew Fleming

Graduate Theses and Dissertations

Superhydrophilic and superhydrophobic surfaces have potential for implementation into a variety of fields, including self-cleaning surfaces, anti-fogging transparent materials, and biomedical applications. In this study, sandblasting, oxygen plasma treatments, silica nanoparticle films, and a low surface energy fluorocarbon film were employed to change the natural surface wettability of titanium, glass, and polyethylene terephthalate (PET) substrates, with an aim to produce superhydrophilic and superhydrophobic behavior. The effects of these surface modifications are characterized by water contact angles (WCAs), surface wetting stability, surface morphology and roughness, surface elemental composition, and optical transmittance measurements. The results show that stable superhydrophilic and superhydrophobic surfaces …


Distribution Map Of Multi-Walled Carbon Nanotubes In A Refrigerant/Oil Mixture Within A 2.5 Ton Unitary Air-Conditioner, Warren Russell Long Dec 2012

Distribution Map Of Multi-Walled Carbon Nanotubes In A Refrigerant/Oil Mixture Within A 2.5 Ton Unitary Air-Conditioner, Warren Russell Long

Graduate Theses and Dissertations

In recent years, nanoparticles have received considerable attention as a potential additive to heat transfer fluids (i.e. refrigerant) in order to increase the heat transfer capabilities of these fluids. The potential of carbon nanotubes (CNTs) to exit the compressor, migrate throughout a vapor compression air conditioning system, and possibly foul the components of such a system was experimentally investigated in this research. Six grams of CNTs were dispersed in the polyol ester oil used by a 2.5 ton (8.79 kW) unitary air conditioning system, which was continuously operated for 168 hours. After this time, the unit was shut down and …


Synthesis And Characterizations Of Pyridinium Salts Including Poly(Pyridinium Salt)S And Their Applications, Tae Soo Jo Dec 2012

Synthesis And Characterizations Of Pyridinium Salts Including Poly(Pyridinium Salt)S And Their Applications, Tae Soo Jo

UNLV Theses, Dissertations, Professional Papers, and Capstones

Pyridinium salts, both molecular and polymeric, are an interesting class of multifunctional materials that exhibit liquid-crystalline and light-emitting properties. Moreover, their properties can be easily tuned by introducing new types of anions or by modifying their chemical structures. This dissertation describes synthesis and characterization of poly(pyridinium salt)s containing macrocounterions and fluorene moieties in their backbones, synthesis and characterization of nanocomposites of poly(pyridinium salt)s with single-walled carbon nanotubes via non-covalent interactions, and synthesis and characterizations of pyridinium salts having different aliphatic linkages and their application in organic acid sensing.

First, all of these ionic polymers were prepared by either ring-transmutation or …


Modeling, Fabrication And Characterization Of Scalable Electroless Gold Plated Nanostructures For Enhanced Surface Plasmon Resonance, Gyoung Gug Jang Dec 2012

Modeling, Fabrication And Characterization Of Scalable Electroless Gold Plated Nanostructures For Enhanced Surface Plasmon Resonance, Gyoung Gug Jang

Graduate Theses and Dissertations

The scientific and industrial demand for controllable thin gold (Au) film and Au nanostructures is increasing in many fields including opto-electronics, photovoltaics, MEMS devices, diagnostics, bio-molecular sensors, spectro-/microscopic surfaces and probes. In this study, a novel continuous flow electroless (CF-EL) Au plating method is developed to fabricate uniform Au thin films in ambient condition. The enhanced local mass transfer rate and continuous deposition resulting from CF-EL plating improved physical uniformity of deposited Au films and thermally transformed nanoparticles (NPs). Au films and NPs exhibited improved optical photoluminescence (PL) and surface plasmon resonance (SPR), respectively, relative to batch immersion EL (BI-EL) …


Development Of Nano-Zro2 Reinforced Self-Flowing Low And Ultra Low Cement Refractory Castables, Cem Gogtas Dec 2012

Development Of Nano-Zro2 Reinforced Self-Flowing Low And Ultra Low Cement Refractory Castables, Cem Gogtas

Theses and Dissertations

The main goal of this research is to develop high strength high toughness nano-ZrO2 reinforced self flow low cement (5%) and ultra low cement (3 and 1%) castables based on tabular alumina. In processing these castables, the Andreassen model was used to obtain optimum self flow properties in both, low and ultra low castables. The castables thus produced were fired at 110 and 1000, 1300 and 1500oC and the phases obtained were investigated by X-ray diffraction (XRD) including energy dispersive X-ray (EDX), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and differential thermal analysis (DTA). In addition, the other castable properties …


Refractive Index Chemical Sensing With Noble Metal Nanoparticles, Phillip Blake Dec 2012

Refractive Index Chemical Sensing With Noble Metal Nanoparticles, Phillip Blake

Graduate Theses and Dissertations

Chemical sensing is a key component in modern society, especially in engineering applications. Because of their widespread impact, improvements to chemical sensors are a significant area of research. One class of sensors, plasmonic sensors, is being heavily researched because of their ability to detect low levels of analyte in near real time without destroying the analyte. This work studies a new class of plasmonic sensor that utilizes diffractive coupling to improve sensor performance. Specifically, this work outlines the first study of diffractive coupling sensors with typical nanoparticle shapes. Sensitivity of this new class of sensor is directly compared to typical …


Design, Fabrication, Testing Of Cnt Based Isfet And Characterization Of Nano/Bio Materials Using Afm, Zhuxin Dong Dec 2012

Design, Fabrication, Testing Of Cnt Based Isfet And Characterization Of Nano/Bio Materials Using Afm, Zhuxin Dong

Graduate Theses and Dissertations

A combination of Carbon Nanotubes (CNTs) and Ion Selective Field Effect Transistor (ISFET) is designed and experimentally verified in order to develop the next generation ion concentration sensing system. Micro Electro-Mechanical System (MEMS) fabrication techniques, such as photolithography, diffusion, evaporation, lift-off, packaging, etc., are required in the fabrication of the CNT-ISFET structure on p-type silicon wafers. In addition, Atomic Force Microscopy (AFM) based surface nanomachining is investigated and used for creating nanochannels on silicon surfaces. Since AFM based nanomanipulation and nanomachining is highly controllable, nanochannels are precisely scratched in the area between the source and drain of the FET where …


Pulse Sharpening Effects Of Thin Film Ferroelectric Transmission Lines, Robert J. Sleezer Dec 2012

Pulse Sharpening Effects Of Thin Film Ferroelectric Transmission Lines, Robert J. Sleezer

Graduate Theses and Dissertations

Advances in material science have resulted in the development of electrically nonlinear high dielectric thin film ferroelectrics, which have led to new opportunities for the creation of novel devices. This dissertation investigated one such device: a low voltage nonlinear transmission line (NLTL). A finite element simulation of ferroelectric transmission lines showed that NLTLs are capable of creating shockwaves. Additionally, if the losses are kept sufficiently low, it was shown that voltage gain should be possible. Furthermore, a method of accounting for material dispersion was developed. Results from simulations including material dispersion showed that temporal solitons might be possible from a …


Oscillator-Based Neuronal Modeling For Seizure Progression Investigation And Seizure Control Strategy, Wu Chen Oct 2012

Oscillator-Based Neuronal Modeling For Seizure Progression Investigation And Seizure Control Strategy, Wu Chen

Doctoral Dissertations

The coupled oscillator model has previously been used for the simulation of neuronal activities in in vitro rat hippocampal slice seizure data and the evaluation of seizure suppression algorithms. Each model unit can be described as either an oscillator which can generate action potential spike trains without inputs, or a threshold-based unit. With the change of only one parameter, each unit can either be an oscillator or a threshold-based spiking unit. This would eliminate the need for a new set of equations for each type of unit. Previous analysis has suggested that long kernel duration and imbalance of inhibitory feedback …


Exploitation And Exploration Of Pcr In Microfluidic Systems With Gradient Temperature Environments, Ilija Pjescic Oct 2012

Exploitation And Exploration Of Pcr In Microfluidic Systems With Gradient Temperature Environments, Ilija Pjescic

Doctoral Dissertations

The main goal of the work was to establish a wholesome picture off all relevant processes for a sample-in, answer out genetic system and to integrate the whole process on a one step device from sample collection to final result. The genetic analysis process consists of ideally three steps: sample preparation, chemical reaction, and analysis. Each of the steps is different and requires a specific environment, where sample preparation might use additives, they might later interfere with the reaction itself or lead to misleading results in the analysis phase. It was found to be quite a challenging process to synchronize …


Synthesis Of Silicide Nanomaterials Using Chemical Vapour Deposition Method, Hamid Norouzi Banis Aug 2012

Synthesis Of Silicide Nanomaterials Using Chemical Vapour Deposition Method, Hamid Norouzi Banis

Electronic Thesis and Dissertation Repository

Recent research has evidenced that nanotechnology may bring about a material revolution which sweeps through different scientific fields and leads to dramatic changes in the use of natural resources and our everyday life. Compared to their bulk counterparts, the nanomaterials may exhibit significantly improved physical properties by shrinking their size to nanometer scale. Metal silicide are distinguished by their features of combining advantages of both metals and semiconductors which promises superior performance various fields. Despite the progress in the synthesis methods of nanomaterials, it still remains a big challenge in controlled synthesis of 1D silicide nanostructures due to the difficulties …


An Extension To Particle Polarizability To Predict Coupling Behavior In Periodic Nanoplasmonic Arrays, Drew Dejarnette Aug 2012

An Extension To Particle Polarizability To Predict Coupling Behavior In Periodic Nanoplasmonic Arrays, Drew Dejarnette

Graduate Theses and Dissertations

Plasmonic nanoparticles organized in arrays interact to create spectral patterns which are amplified by individual particle polarizability. It was hypothesized that particle polarizability could be used as a predictor of spectral behavior from far-field interactions within the array. Inter-particle coupling produced an extraordinary peak in extinction efficiency at wavelengths equal to or larger than the single particle plasmon resonance peak. Interactions that produced constructive coupling were found to mimic changes in the particle polarizability model. Testing of the hypothesis was performed using the coupled dipole approximation with parametric characterization of array geometries, giving specific particle size and lattice constant combinations …


Component Mode Synthesis Approach For Quantum Mechanical Electrostatic And Transport Analysis Of Nanoscale Structures And Devices, Zhe Gao Aug 2012

Component Mode Synthesis Approach For Quantum Mechanical Electrostatic And Transport Analysis Of Nanoscale Structures And Devices, Zhe Gao

All Theses

As the dimensions of commonly used semiconductor devices have shrunk into nanometer regime, it is recognized that the influence of quantum effects on their electrostatic and transport properties cannot be ignored. In the past few decades, various computational models and approaches have been developed to analyze these properties in nanostructures and devices. Among these computational models, the Schršdinger-Poisson model has been widely adopted for quantum mechanical electrostatic and transport analysis of nanostructures and devices such as quantum wires, metal-oxide-semiconductor field effect transistors (MOSFETs) and nanoelectromechanical systems (NEMS). The numerical results allow for evaluations of the electrical properties such as charge …


Probing And Controlling Fluid Rheology At Microscale With Magnetic Nanorods, Alexander Tokarev Aug 2012

Probing And Controlling Fluid Rheology At Microscale With Magnetic Nanorods, Alexander Tokarev

All Dissertations

This Dissertation is focused on the development of new methods for characterization and control of fluid rheology using magnetic nanorods. This Dissertation consists of five chapters. In the first chapter, we review current microrheologial methods and develop a Magnetic Rotational Spectroscopy (MRS) model describing nanorod response to a rotating magnetic field. Using numerical modeling, we analyze the effects of materials parameters of nanorods and fluids on the MRS characteristic features. The model is designed for a specific experimental protocol. We introduce and examine physical parameters which can be measured experimentally. The model allows identification of MRS features enabling the calculation …


Semiconductor Nanocrystals: From Quantum Dots To Quantum Disks, Zheng Li Aug 2012

Semiconductor Nanocrystals: From Quantum Dots To Quantum Disks, Zheng Li

Graduate Theses and Dissertations

The bottom-up colloidal synthesis opened up the possibility of finely tuning and tailoring the semiconductor nanocrystals. Numerous recipes were developed for the preparation of colloidal semiconductor nanocrystals, especially the traditional quantum dots. However, due to the lack of thorough understanding to those systems, the synthesis chemistry is still on the empirical level. CdS quantum dots synthesis in non-coordinating solvent were taken as a model system to investigate its molecular mechanism and formation process, ODE was identified as the reducing agent for the preparation of CdS nanocrystals, non-injection and low-temperature synthesis methods developed. In this model system, we not only proved …


Peptoid Based Slide Coatings For Disease Detection Via Elisa Microarray Analysis, Melissa Lea Hebert Aug 2012

Peptoid Based Slide Coatings For Disease Detection Via Elisa Microarray Analysis, Melissa Lea Hebert

Graduate Theses and Dissertations

Poly-N-substituted glycines (peptoids) are a very versatile family of synthetic molecules that can be customized for any number of applications. In this study, we chose to use peptoids as a foundation for sandwich ELISA microarray analysis with a long term goal of creating an early detection device for complex diseases such as cancer. The peptoids were designed to self-assemble into microspheres to be used in coatings on the surface of the microarray substrates to increase the surface area available for antibody attachment. This increased antibody density would lead to an increase in the microarray analysis sensitivity and dynamic range. Studies …


Plasmonic Pervaporation Via Gold Nanoparticle-Functionalized Nanocomposite Membranes, Aaron Russell Aug 2012

Plasmonic Pervaporation Via Gold Nanoparticle-Functionalized Nanocomposite Membranes, Aaron Russell

Graduate Theses and Dissertations

Butanol derived from biological feedstocks has significant potential as a liquid fuel source, but the separation methods used in its production can be prohibitively expensive and are therefore currently the subject of extensive research. Pervaporation is a promising membrane process that is effective in butanol separations, but involves a large energy demand. This study examines the possibility of increasing flux and energy efficiency in pervaporation via plasmonic heating of gold nanoparticle-functionalized, polymer nanocomposite membranes (AuNCMs) in lieu of conventional feed heating. An economic analysis demonstrated that plasmonic pervaporation could achieve significant reductions in energy usage and utility cost in butanol …


Fabrication And Characterization Of Thinner Solid-State Nanopores, Denis Forbi Tita Aug 2012

Fabrication And Characterization Of Thinner Solid-State Nanopores, Denis Forbi Tita

Graduate Theses and Dissertations

Solid State nanopores that are fabricated by the ion beam sculpting process and electron beam drilling have shown great promise as a sensing device for DNA and protein molecules. Even though biological pores such as the alpha-Haemolysin have been in use for quite some time, the use of solid state Nanopores in single biomolecule detection has been on the rise since the mid 1990s. Solid State nanopores have an advantage over biological pores in that they are more robust, stable, and can be sculpted to any desired size for use in translocation experiments. One of the major challenges in Nanopore …


A Nanostructured Fabry-Perot Interferometer For Label-Free Biodetection, Tianhua Zhang Jul 2012

A Nanostructured Fabry-Perot Interferometer For Label-Free Biodetection, Tianhua Zhang

Doctoral Dissertations

A polymer nanostructured Fabry-Perot interferometer (FPI) based biosensor has been developed, fabricated, and tested. Different from a conventional FPI, this nanostructured FPI has a layer of Au-coated nanopores inside its cavity. The Au-coated nanostructure layer offers significant enhancement of optical transducing signals due to the localized surface Plasmon resonance (L-SPR) effect. Compared to a traditional FPI for label-free biosensing applications, the polymer nanostructured FPI based biosensor offers increased sensing surface area, extended penetration depth of the excitation light, and amplification of optical transducing signals. Using a nanostructured FPI, measurements taken had great improvements in free spectral range (FSR), finesse, and …


Nanoencapsulated Copper Pthalocyanine As Photodynamic Antimicrobial Chemotherapy, Prathima Arrabelly Jul 2012

Nanoencapsulated Copper Pthalocyanine As Photodynamic Antimicrobial Chemotherapy, Prathima Arrabelly

All Capstone Projects

The growing resistance developed by microbes towards antimicrobial agents has driven our focus on developing alternative treatment modalities such as Photodynamic antimicrobial chemotherapy (PACT). It would be difficult for the microbes to develop resistance towards singlet oxygen generated during the PACT process. Photosensitizers are the vehicles of the transfer and translation of light energy into a type II chemical reaction (singlet oxygen generation) in photodynamic antimicrobial chemotherapy. PACT is proposed as a potential, low cost approach to treatment of locally occurring infection.

Photodynamic inactivation (PDI) of Escherichia coli and Staphylococcus aureus has been studied in cultures treated with photoactivated copper …


Nanowire Giant Magnetoresistance Thin Films For Magnetic Sensors, Bryan Cox Jul 2012

Nanowire Giant Magnetoresistance Thin Films For Magnetic Sensors, Bryan Cox

Doctoral Dissertations

This dissertation details a novel method to fabricate magnetic sensors using nanowire giant magnetoresistance (GMR) thin films. In 1988, Albert Fert and Peter Grünberg both independently discovered a new physical phenomenon called GMR. GMR is a quantum mechanical effect found in thin film materials that are composed of alternating nanoscale ferromagnetic and non-magnetic conductive layers. When a GMR material is in the presence of a magnetic field, a change in electrical resistance is observed. The GMR effect has been utilized to produce magnetic sensors that have been used in a variety of applications, such as computer hard drive read heads, …


Multidentate Resorcinarene Surfactants For The Phase Transfer Of Metal Nanoparticles And Nanodiamonds: Applications In Catalysis And Diamond Film Growth, Vara Prasad Sheela Jul 2012

Multidentate Resorcinarene Surfactants For The Phase Transfer Of Metal Nanoparticles And Nanodiamonds: Applications In Catalysis And Diamond Film Growth, Vara Prasad Sheela

Chemistry & Biochemistry Theses & Dissertations

One main objective of the present work is to functionalize cuboctahedral platinum nanoparticles with various multidentate resorcinarene surfactants and study their influence in determining their catalytic activity. We hypothesized that catalytically active and recyclable catalysts can be achieved by incomplete yet strong passivation of the nanoparticle surfaces by using multidentate resorcinarene surfactants. We have developed phase transfer protocols for functionalizing cuboctahedral platinum nanoparticles with resorcinarene thiol or amine. Fluorescence assay confirmed that both these nanoparticles contained almost comparable unpassivated metal area. The activity of such phase transferred nanoparticles was tested in the catalytic hydrogenation of allyl alcohol. The conversion of …


Active Response Of Polymer Materials From External Stimuli – Solvents And Light; Grafting Reactions On Perovskite Layers, Jianxia Zhang May 2012

Active Response Of Polymer Materials From External Stimuli – Solvents And Light; Grafting Reactions On Perovskite Layers, Jianxia Zhang

University of New Orleans Theses and Dissertations

The active response of a series of polymeric materials was investigated. Both solvent activated and light activated thin films and wire systems show dynamic behaviors when exposed to different stimuli.

Solvent mediated fluxional behavior of polymer thin films involved extensive, rapid curling both on infusion and evaporation of good solvents. These films can be either lab-fabricated ones or commercial ones, and the curling behavior can be as fast as seconds. Conditions including polymer materials, chosen solvents, and film geometry can affect the behavior.

Methods that allowed for the creation and retention of distorted wire structures were also developed; the asymmetric …


Electrohydrodynamic Enhancement Of Heat Transfer And Mass Transport In Gaseous Media, Bulk Dielectric Liquids And Dielectric Thin Liquid Films, Seyed Reza Mahmoudi May 2012

Electrohydrodynamic Enhancement Of Heat Transfer And Mass Transport In Gaseous Media, Bulk Dielectric Liquids And Dielectric Thin Liquid Films, Seyed Reza Mahmoudi

Electronic Thesis and Dissertation Repository

Controlling transport phenomena in liquid and gaseous media through electrostatic forces has brought new important scientific and industrial applications. Although numerous EHD applications have been explored and extensively studied so far, the fast-growing technologies, mainly in the semiconductor industry, introduce new challenges and demands. These challenges require enhancement of heat transfer and mass transport in small scales (sometimes in molecular scales) to remove highly concentrated heat fluxes from reduced size devices. Electric field induced flows, or electrohydrodynamics (EHD), have shown promise in both macro and micro-scale devices.

Several existing problems in EHD heat transfer enhancements were investigated in this thesis. …


High Speed Atomic Force Microscopy Techniques For The Efficient Study Of Nanotribology, James L. Bosse May 2012

High Speed Atomic Force Microscopy Techniques For The Efficient Study Of Nanotribology, James L. Bosse

Master's Theses

As mechanical devices scale down to micro/nano length scales, it is crucial to understand friction and wear at the nanoscale (nanotribology) especially at technically relevant sliding velocities. Accordingly, three novel techniques have been developed to study nanotribology, leveraging recent advances in high speed AFM. The first method utilizes high line-scanning rates coupled with sinusoidal scanning along the AFM fast scan axis, enabling rapid friction measurements as a function of velocity up to 20 mm/sec. The second method rapidly acquires friction versus force curves through disabling the feedback loop during scanning and relating the resulting lateral data with the correspondingly varying …


Nanocharacterization Of Porous Materials With Atomic Force Microscopy, Yasemin Kutes May 2012

Nanocharacterization Of Porous Materials With Atomic Force Microscopy, Yasemin Kutes

Master's Theses

Scanning Probe Microscopy techniques have proven very useful in the investigation of porous nanostructured surfaces. Especially, Atomic Force Microscopy (AFM) has been widely used due to its compatibility with non-conducting surfaces. In particular, AFM often complements other techniques like scanning and transmission electron microscopy by providing quantitative surface information coupled with nanoscale spatial resolution. Its ability to operate in fluid is also important, as this allows researchers to mimic the physiological environment of biological materials and systems. In this work, two main types of porous materials are studied with AFM, including Phosphoric Acid Fuel Cell (PAFC) electrode catalyst layers, and …


Towards Sustainable Development Of Nanomanufacturing, Sasikumar Ramdas Naidu May 2012

Towards Sustainable Development Of Nanomanufacturing, Sasikumar Ramdas Naidu

Doctoral Dissertations

"Sustainability" is a buzz word these days not just among regulatory agencies but even with corporations, as evident by the release of annual sustainability report by a large number of firms. Companies are starting to portray profit making along with corporate environmental responsibility.

Nanotechnology and nanomanufacturing which holds a lot of promise for development in a multitude of fields in science and engineering is the new kid on the block and carries a lot of apprehension due to public concern about their potential unwanted side effects that may result in the case of an untoward incident or lack of oversight. …


Molecular Dynamics Study Of Diffusion Of O2 Penetrates In Uncrosslinked Polydimethysiloxane (Pdms), Crosslinked Pdms, And Pdms-Based Nanocomposites, Varun Ullal May 2012

Molecular Dynamics Study Of Diffusion Of O2 Penetrates In Uncrosslinked Polydimethysiloxane (Pdms), Crosslinked Pdms, And Pdms-Based Nanocomposites, Varun Ullal

Graduate Theses and Dissertations

Molecular dynamics simulations are used to study diffusion of O2 molecules in pure polydimethysiloxane (PDMS), crosslinked PDMS, and PDMS-based nanocomposites. The PDMS chains and penetrates are modeled using a hybrid interatomic potential which treats the Si-O atoms along the chain backbone explicitly while coarse-graining the methyl side groups and penetrates. By tracking the diffusion of penetrates in the system and subsequently computing their mean-squared displacement, diffusion coefficients are obtained. In pure PDMS models of varying molecular weight, diffusivity of the O22 penetrates is found to have an inverse relationship with chain length. Simulation models with longer chains …