Nanoscience and Nanotechnology Commons^™

Functional Nanostructures From Nanoparticle Building Blocks, Jimmy Lawrence

Doctoral Dissertations

Advances in the synthetic strategies of engineered nanomaterials, multifunctional molecules and polymers have opened pathways for the development of functional nanomaterials having unique optoelectronic, mechanical, and biological properties. By designing the chemistry of surface ligands, the organic interface of nanoparticles, one can further the versatility and utilization of engineered nanomaterials, opening pathways for breakthroughs in sensing, catalysis, and delivery using nanomaterials. This thesis describes the synthesis and characterization of small molecule and polymer ligand functionalized inorganic nanoparticles (e.g., metal, semiconducting). Embedding specific chemical functionality into the ligand periphery of nanoparticles enables the resulting functional nanoparticles to react selectively …

Layer-By-Layer Antimicrobial N-Halamine Polymer Coatings For Food Contact Materials, Luis J. Bastarrachea Gutierrez

Doctoral Dissertations

Cross contamination during food processing represents a risk for public health and financial burden. Surface modification of food contact materials to render them antimicrobial can be effective against such risk. The objective of the present work was to develop antimicrobial coatings with the potential to be applied in a variety of food contact materials. The polymer coatings developed became antimicrobial by incorporation of a type of chlorinated compounds called N-halamines, capable of regenerating their antimicrobial activity. Two layer-by-layer (LbL) assembly surface modification procedures were followed. In the first procedure, bilayers of branched polyethyleneimine (PEI) and poly(acrylic acid) (PAA) were applied …

Biomimetic Oral Mucin From Polymer Micelle Networks, Sundar Prasanth Authimoolam

Theses and Dissertations--Chemical and Materials Engineering

Mucin networks are formed by the complexation of bottlebrush-like mucin glycoprotein with other small molecule glycoproteins. These glycoproteins create nanoscale strands that then arrange into a nanoporous mesh. These networks play an important role in ensuring surface hydration, lubricity and barrier protection. In order to understand the functional behavior in mucin networks, it is important to decouple their chemical and physical effects responsible for generating the fundamental property-function relationship. To achieve this goal, we propose to develop a synthetic biomimetic mucin using a layer-by-layer (LBL) deposition approach. In this work, a hierarchical 3-dimensional structures resembling natural mucin networks was generated …

Designed Synthesis Of Nanoporous Organic Polymers For Selective Gas Uptake And Catalytic Applications, Pezhman Arab

Theses and Dissertations

Design and synthesis of porous organic polymers have attracted considerable attentions during the past decade due to their wide range of applications in gas storage, gas separation, energy conversion, and catalysis. Porous organic polymers can be pre-synthetically and post-synthetically functionalized with a wide variety of functionalities for desirable applications. Along these pursuits, we introduced new synthetic strategies for preparation of porous organic polymers for selective CO₂ capture.

Porous azo-linked polymers (ALPs) were synthesized by an oxidative reaction of amine-based monomers using copper(I) as a catalyst which leads to azo-linkage formation. ALPs exhibit high surface areas of up to 1200 …

Low Molecular Weight Glucosamine/L-Lactide Copolymers As Potential Carriers For The Development Of A Sustained Rifampicin Release System: Mycobacterium Smegmatis As A Tuberculosis Model, Jorge Ragusa

Department of Chemical and Biomolecular Engineering: Theses and Student Research

Tuberculosis, a highly contagious disease, ranks as the second leading cause of death from an infectious disease, and remains a major global health problem. In 2013, 9 million new cases were diagnosed and 1.5 million people died worldwide from tuberculosis. This dissertation aims at developing a new, ultrafine particle-based efficient antibiotic delivery system for the treatment of tuberculosis. The carrier material to make the rifampicin (RIF)-loaded particles is a low molecular weight star-shaped polymer produced from glucosamine (molecular core building unit) and L-lactide (GluN-LLA). Stable particles with a very high 50% drug loading capacity were made via electrohydrodynamic atomization. Prolonged …

Interfacial Interactions Between Carbon Nanoparticles And Conjugated Polymers, Yanqi Luo

Master's Theses

Conjugated polymer based electronics, a type of flexible electronic devices, can be produced from solution by traditional printing and coating processes in a roll-to-roll format such as papers and graphic films. This shows great promise for the emerging energy generation and conversion. The device performance of polymer electronics is largely dependent of crystalline structures and morphology of photoactive layers. However, the solution crystallization kinetics of conjugated polymers in the presence of electron acceptor nanoparticles has not been fully understood yet. In this study, solution crystallization kinetics of poly (3-hexylthiophene) in the presence of carbon nanotubes and graphene oxide has been …

Opto-Electronic Devices With Nanoparticles And Their Assemblies, Chieu Van Nguyen

Department of Chemical and Biomolecular Engineering: Theses and Student Research

Nanotechnology is a fast growing field; engineering matters at the nano-meter scale. A key nanomaterial is nanoparticles (NPs). These sub-wavelength (< 100nm) particles provide tremendous possibilities due to their unique electrical, optical, and mechanical properties. Plethora of NPs with various chemical composition, size and shape has been synthesized. Clever designs of sub-wavelength structures enable observation of unusual properties of materials, and have led to new areas of research such as metamaterials. This dissertation describes two self-assemblies of gold nanoparticles, leading to an ultra-soft thin film and multi-functional single electron device at room temperature. First, the layer-by-layer self-assembly of 10nm Au nanoparticles and polyelectrolytes is shown to behave like a cellular-foam with modulus below 100 kPa. As a result, the composite thin film (~ 100nm) is 5 orders of magnitude softer than an equally thin typical polymer film. The thin film can be compressed reversibly to 60% strain. The extraordinarily low modulus and high compressibility are advantageous in pressure sensing applications. The unique mechanical properties of the composite film lead to development of an ultra-sensitive tactile imaging device capable of screening for breast cancer. On par with human finger sensitivity, the tactile device can detect a 5mm imbedded object up to 20mm below the surface with low background noise. The second device is based on a one-dimensional (1-D) self-directed self-assembly of Au NPs mediated by dielectric materials. Depending on the coverage density of the Au NPs assembly deposited on the device, electronic emission was observed at ultra-low bias of 40V, leading to low-power plasma generation in air at atmospheric pressure. Light emitted from the plasma is apparent to the naked eyes. Similarly, 1-D self-assembly of Au NPs mediated by iron oxide was fabricated and exhibits ferro-magnetic behavior. The multi-functional 1-D self-assembly of Au NPs has great potential in modern electronics such as solid state lighting, plasma-based nanoelectronics, and memory devices.

Adviser: Ravi F. Saraf

Ptsa Doped Conducting Graphene/Polyaniline Nanocomposite Fibers: Thermoelectric Behavior And Electrode Analysis, Mohammad Mansoob Khan Dr, M. O. Ansari, S. A. Ansari, M. I. Amal, J Lee, M. H. Cho

Dr. Mohammad Mansoob Khan

Highly conducting graphene/polyaniline (GN@Pani) nanocomposite was prepared by the in-situ oxidative polymerization of aniline in the presence of GN and the surfactant, cetyltrimethylammonium bromide (CTAB). The micellar structure of CTAB assisted both, the formation of GN@Pani tubules and the dispersion of GN. Sheet-like GN was distributed uniformly in the Pani matrix, leading to high electrical conductivity because of the π-π interactions between Pani and GN. Studies of the thermoelectrical behavior using isothermal and cyclic aging techniques showed that GN@Pani possessed a high combination of electrical conductivity and thermal stability, even beyond 150°C. GN@Pani was used as cathode active material in …

Enhanced Thermoelectric Performance And Ammonia Sensing Properties Of Sulfonated Polyaniline/Graphene Thin Films,, M. O. Ansari, Mohammad Mansoob Khan Dr, S. A. Ansari, J. Lee, M. I. Amal, M H. Cho

Dr. Mohammad Mansoob Khan

Highly conducting nanocomposite film of polyaniline (Pani) with graphene (GN) was prepared by incorporating GN nanoplatelets in Pani matrix, followed by sulfonating it with fuming sulfuric acid. Sheet-like GN nanoplatelets were distributed uniformly in a Pani matrix, leading to high electrical conductivity due to π-π interaction between sulfonated Pani (s-Pani) and GN. Studies of the thermoelectrical behavior and ammonia-sensing behavior on GN@s-Pani showed high DC electrical conductivity retention under ageing conditions as well as excellent reproducible sensing response towards ammonia vapor in contrast to acid-protonated Pani.

Electrospinning Applications Air Filtration And Superhydrophobic Materials, Negar Ghochaghi, Adetoun Taiwo

Graduate Research Posters

Electrospinning is a widely applicable technique that generates non-woven fibers in the micro and nano range. In this project two of its applications are highlighted namely filtration media and enhancement of wettability. The first project demonstrates that electrospinning can be used to produce new fiber filtration media with controlled microstructure. The bimodal and unimodal orthogonal and random filters were made and characterized against their filtration efficiency and pressure drop. Figure of Merit (FOM) was also calculated and discussed. It is shown that the FOM increases when the electrospun fibers are arranged into alternating layers of aligned course and fine fibers. …

Structure And Energetics Of Nanoparticles And Ionomer Films In Fuel Cell Catalyst Layers, Qianping He

Doctoral Dissertations

Improving the durability and utilization efficiency of the platinum-on-carbon (Pt/C) catalyst is of vital importance to the commercialization of the polymer electrolyte membrane fuel cell (PEMFC). This body of work provides molecular level insights to aid the fulfillment of this goal. Chapter 1 describes the use of molecular dynamics (MD) simulation in an effort to understand the Pt/C degradation issue from the nano-adhesion point of view. The roles of catalyst nanoparticle size, shape, Pt/C surface oxidation and the extent of ionomer film hydration are investigated to study their effects on nano-particle adhesion. It is found that the adhesion force strengthens …

Bending, Wrinkling, And Folding Of Thin Polymer Film/Elastomer Interfaces, Yuri Ebata

Open Access Dissertations

This work focuses on understanding the buckling deformation mechanisms of bending, wrinkling, and folding that occur on the surfaces and interfaces of polymer systems. We gained fundamental insight into the formation mechanism of these buckled structures for thin glassy films placed on an elastomeric substrate. By taking advantage of geometric confinement, we demonstrated new strategies in controlling wrinkling morphologies. We were able to achieve surfaces with controlled patterned structures which will have a broad impact in optical, adhesive, microelectronics, and microfluidics applications.

Wrinkles and strain localized features, such as delaminations and folds, are observed in many natural systems and are …

The Impact Of Controlled Solvent Exposure On The Morphology, Structure And Function Of Bulk Heterojunction Solar Cells, Raghavendra R. Hegde Dr

Raghavendra R Hegde Dr

Films of poly(3-hexyl thiophene) (P3HT):[6,6]-phenyl C61-butyric acid methyl ester (PCBM) were controllably exposed to CS2 vapor in a column with a linear solvent vapor pressure gradient. Changes in the morphology of the P3HT:PCBM thin film were monitored and correlated to the ability of this thin film to act as the active layer in an organic solar cell. The results show that the crystallinity and crystal size of the P3HT increase initially with solvent vapor pressure and annealing time, but longer exposure to solvent decreases P3HT crystallinity and photovoltaic efficiency. Neutron reflectivity indicates that the PCBM segregates to the Si substrate …

Metamaterials On Parylene Thin Film Substrates: Design, Fabrication, And Characterization At Terahertz Frequency, Xianliang Liu, Samuel Macnaughton, David Shrekenhamer, Hu Tao, Selvapraba Selvarasah, Atcha Totachawattana, Richard Averitt, Mehmet Dokmeci, Sameer Sonkusale, Willie Padilla

Mehmet R. Dokmeci

We design, fabricate, and characterize terahertz (THz) resonant metamaterials on parylene free-standing thin film substrates. Several different metamaterials are investigated and our results show strong electromagnetic responses at THz frequencies ranging from 500 GHz to 2.5 THz. The complex frequency dependent dielectric properties of parylene are determined from inversion of reflection and transmission data, thus indicating that parylene is an ideal low loss substrate or coating material. The biostable and biocompatible properties of parylene coupled with the multifunctional exotic properties of metamaterials indicate great potential for medical purposes such as THz imaging for skin cancer detection.

Dynamics Of Individual Molecules Of Linear Polyethylene Liquids Under Shear: Atomistic Simulation And Comparison With A Free-Draining Bead-Rod Chain, David Keffer, J. M. Kim, B. J. Edwards, B. Khomami

David Keffer

Nonequilibrium molecular dynamics (NEMD) simulations of a dense liquid composed of linear polyethylene chains were performed to investigate the chain dynamics under shear. Brownian dynamics (BD) simulations of a freely jointed chain with equivalent contour length were also performed in the case of a dilute solution. This allowed for a close comparison of the chain dynamics of similar molecules for two very different types of liquids. Both simulations exhibited a distribution of the end-to-end vector, |R_ete|, with Gaussian behavior at low Weissenberg number (Wi). At high Wi, the NEMD distribution was bimodal, with two peaks …

Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, Ruichang Xiong, Rebecca L. Empting, Ian C. Morris, David J. Keffer

Faculty Publications and Other Works -- Chemical and Biomolecular Engineering

Molecular dynamics (MD) simulations of a Lennard–Jones fluid in an inhomogeneous external field generate steady-state profiles of density and pressure with nanoscopic heterogeneities. The continuum level of mass, momentum, and energy transport balances is capable of reproducing the MD profiles only when the equation of state for pressure as a function of density is extracted directly from the molecular level of description. We show that the density profile resulting from simulation is consistent with both a molecular-level theoretical prediction from statistical mechanics as well as the solution of the continuum-level set of differential equations describing the conservation of mass and …

پاسخهای تشریحی سوالات کنکور کارشناسی ارشد رشته شیمی کاربردی-چاپ دوم-ویرایش جدید, A. Khataee, M. H. Rasoulifard, Mir Saeed Seyed Dorraji, V. Vatanpoor

Mir saeed Seyed Dorraji

No abstract provided.

Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, David Keffer

David Keffer

Molecular dynamics (MD) simulations of a Lennard–Jones fluid in an inhomogeneous external field generate steady-state profiles of density and pressure with nanoscopic heterogeneities. The continuum level of mass, momentum, and energy transport balances is capable of reproducing the MD profiles only when the equation of state for pressure as a function of density is extracted directly from the molecular level of description. We show that the density profile resulting from simulation is consistent with both a molecular-level theoretical prediction from statistical mechanics as well as the solution of the continuum-level set of differential equations describing the conservation of mass and …

Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, T. C. Ionescu, B. J. Edwards, David Keffer, V. G. Mavrantzas

Faculty Publications and Other Works -- Chemical and Biomolecular Engineering

The thermodynamical aspects of polymeric liquids subjected to nonisothermal flow are examined from the complementary perspectives of theory, experiment, and simulation. In particular, attention is paid to the energetic effects, in addition to the entropic ones, that occur under conditions of extreme deformation. Comparisons of experimental measurements of the temperature rise generated under elongational flow at high strain rates with macroscopic finite element simulations offer clear evidence of the persistence and importance of energetic effects under severe deformation. The performance of various forms of the temperature equation are evaluated with regard to experiment, and it is concluded that the standard …

Removal Of Organic Dyes From Industrial Wastewaters Using Uv/H2o2, Uv/H2o2/Fe (Ii), Uv/H2o2/Fe (Iii) Processes (Persian Paper), Mir Saeed Seyed Dorraji

Mir saeed Seyed Dorraji

UV/H2O2, UV/H2O2/Fe (II) and UV/H2O2/Fe (III) processes are very effective in removing pollutants from wastewater and can be used for treatment of dyestuff units wastewaters. In this study, Rhodamine B was used as a typical organic dye. Rhodamine B has found wide applications in wax, leather, and paper industries. The results from this study showed that this dye was degradable in the presence of hydrogen peroxide under UV-C irradiation (30W mercury light) and Photo-Fenton process. The dye was resistant to UV irradiation. In the absence of UV irradiation, the decolorization efficiency was very negligible in the presence of hydrogen. Theeffects …

Supercritical Water Oxidation Process And Its Application In Treatment Of Industrial Wastewater (Persian Paper), N. Daneshvar, S. Aber, Mir Saeed Seyed Dorraji, M. Zarei, M. H. Rasoulifard

Mir saeed Seyed Dorraji

In the last two decades, supercritical water has become an interesting medium for chemistry. One of its most investigated applications is the oxidative treatment of aqueous wastes containing organic compound in the so-called “supercritical water oxidation”. In this technology, supercritical water acts as a non-polar solvent. Consequently, even non-polar organic compounds and gases like oxygen become completely miscible with the supercritical fluid. During the supercritical water oxidation (SCWO) process, the organic compounds react completely with oxidant –mostly oxygen- in a single phase reaction forming CO2 and H2O. The hetero-atoms present in the organic wastes are transformed into the mineral acids. …

Atomistic Simulation Of Energetic And Entropic Elasticity In Short-Chain Polyethylenes, David Keffer, T. C. Ionescu, V. G. Mavrantzas, B. J. Edwards

David Keffer

The thermodynamical aspects of polymeric liquids subjected to uniaxial elongational flow are examined using atomistically detailed nonequilibrium Monte Carlo simulations. In particular, attention is paid to the energetic effects, in addition to the entropic ones, which occur under conditions of extreme deformation. Atomistic nonequilibrium Monte Carlo simulations of linear polyethylene systems, ranging in molecular length from C₂₄ to C₇₈ and for temperatures from 300 to 450 K, demonstrate clear contributions of energetic effects to the elasticity of the system. These are manifested in a conformationally dependent heat capacity, which is significant under large deformations. Violations of the hypothesis …

Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, David Keffer, T. C. Ionescu, B. J. Edwards, V. G. Mavrantzas

David Keffer

The thermodynamical aspects of polymeric liquids subjected to nonisothermal flow are examined from the complementary perspectives of theory, experiment, and simulation. In particular, attention is paid to the energetic effects, in addition to the entropic ones, that occur under conditions of extreme deformation. Comparisons of experimental measurements of the temperature rise generated under elongational flow at high strain rates with macroscopic finite element simulations offer clear evidence of the persistence and importance of energetic effects under severe deformation. The performance of various forms of the temperature equation are evaluated with regard to experiment, and it is concluded that the standard …