Engineering Commons^™

Carbon Nanotube And Cellulose Nanocrystal Hybrid Films, Mingzhe Jiang, Robert Seney, Paul Charles Bayliss, Christopher L. Kitchens

Publications

The use of cellulose nanocrystals (CNC) in high performance coatings is attractive for micro-scale structures or device fabrication due to the anisotropic geometry, however CNC are insulating materials. Carbon nanotubes (CNT) are also rod-shaped nanomaterials that display high mechanical strength and electrical conductivity. The hydrophobic regions of surface-modified CNC can interact with hydrophobic CNT and aid in association between the two anisotropic nanomaterials. The long-range electrostatic repulsion of CNC plays a role in forming a stable CNT and CNC mixture dispersion in water, which is integral to forming a uniform hybrid film. At concentrations favorable for film formation, the multiwalled …

Ph-Responsive Mercaptoundecanoic Acid Functionalized Gold Nanoparticles And Applications In Catalysis, Siyam M. Ansar, Saptarshi Chakraborty, Christopher L. Kitchens

Publications

Mercaptoundecanoic acid (MUA) functionalized gold nanoparticles (AuNP-MUA) were synthesized and demonstrated to possess pH-triggered aggregation and re-dispersion, as well as the capability of phase transfer between aqueous and organic phases in response to changes in pH. The pH of aggregation for AuNP-MUA is consistent with the pK_a of MUA (pH ~4) in solution, while AuNP-MUA phase transition between aqueous and organic phases occurs at pH ~9. The ion pair formation between the amine group in octadecylamine (ODA), the carboxylate group in MUA, and the hydrophobic alkyl chain of ODA facilitates the phase transfer of AuNP-MUA into an organic medium. …

Forces And Disease: Electrostatic Force Differences Caused By Mutations In Kinesin Motor Domains Can Distinguish Between Disease-Causing And Non-Disease-Causing Mutations, Lin Li, Yunhui Peng, Subash Godar, Ivan Getov, Shaolei Teng, Joshua Alper, Emil Alexov

Publications

The ability to predict if a given mutation is disease-causing or not has enormous potential to impact human health. Typically, these predictions are made by assessing the effects of mutation on macromolecular stability and amino acid conservation. Here we report a novel feature: the electrostatic component of the force acting between a kinesin motor domain and tubulin. We demonstrate that changes in the electrostatic component of the binding force are able to discriminate between disease-causing and non-disease-causing mutations found in human kinesin motor domains using the receiver operating characteristic (ROC). Because diseases may originate from multiple effects not related to …

Heterogeneous Catalysis Of Aqueous Phase Reforming Of Glycerol With First Principle Calculations And Molecular Dynamics Simulations, Tianjun Xie, Rachel B. Getman

Chemical and Biomolecular Graduate Research Symposium

No abstract provided.

Polymer Sensors For The Quantification Of Waterborne Uranium, C E. Duval, A F. Seliman, T A. Devol, S M. Husson

Chemical and Biomolecular Graduate Research Symposium

No abstract provided.

Conducting Polymer Microstructures And Composites For Supercapacitors, Kryssia P. Diaz-Orellana, Mark E. Roberts

Chemical and Biomolecular Graduate Research Symposium

To increase the performance of conducting polymer electrodes for supercapacitors by controlling polymer assembly, ion transport, electron transfer, and redox processes. The electrode morphology and electrochemical performance are studied.

Development Of Anti-Fouling, Anti-Microbial Membranes By Chemical Patterning, Steven Weinman, Na Li, Viatcheslav Freger, Moshe Herzberg, Scott Husson

Chemical and Biomolecular Graduate Research Symposium

Over 1 billion people lack access to clean drinking water. Membranes are a tool that can help provide clean water to these people. However, treatment of impaired waters for beneficial use exposes the membranes to feed waters containing biological and abiotic species, which leads to fouling and loss of membrane productivity over time. Since reduction in flux due to fouling is one of the largest costs associated with membrane processes in water treatment, new coatings that limit fouling would have significant economic and societal impacts. Developing these advanced coatings is the focus of our work.

Modification Of Liposome Release Characteristics With Metal Nanoparticles, Saptarshi Chakraborty, Christopher L. Kitchens

Chemical and Biomolecular Graduate Research Symposium

Gold nanoparticles have been getting increasing amount of attention due to their stability, optical properties and low toxicity in the field of consumer products and biomedicines. Gold nanoparticles with various surface chemistries have been synthesized in order to take advantage of the size, shape and morphology dependent properties of the nanoparticles which vary greatly from the bulk properties. These properties of gold nanoparticles have made them attractive in optical sensing, targeted drug delivery, bio imaging, chemical, catalytic and photo thermal applications. These surface functionalized nanoparticles were used to study nanoparticle-lipid bilayer interactions using lipid bilayer permeability studies, where permeability of …

Carbon Fibers Derived From Bi-Component Precursors, Jing Jin, Amod A. Ogale

Chemical and Biomolecular Graduate Research Symposium

No abstract provided.

Dendrimer-Guest Interactions: Challenging Conventional Wisdom, Ryan S. Defever, Sapna Sarupria

Chemical and Biomolecular Graduate Research Symposium

Solutions to many future challenges - including water purification, drug delivery, and energy storage - will require innovative new materials. Dendrimers are a class of materials with wide-ranging applications whose behavior is not fully understood. In many potential applications, dendrimers interact with small molecules. Our work focuses on describing the fundamental mechanisms governing the interactions between dendrimers and hydrocarbons using molecular modeling and computer simulations. A common view of dendrimer host-guest interactions is that the guest molecules are encapsulated in protected interior voids within the dendrimer structure. Our results present an alternative picture and show that the association of a …

Effect Of Co Adsorption And Coverage On Ethanol Production From Syngas, Anuradha Gundamaraju, Ming He, David A. Bruce

Chemical and Biomolecular Graduate Research Symposium

Concern over ever decreasing oil supplies, increasing levels of pollution and energy independence have been the primary driving forces behind significant efforts focused on the development of new technologies capable of increasing the production of alternative fuels. To-date, ethanol and to a lesser extent biodiesel have been the only alternative fuels or fuel additives to gain widespread use and be synthesized on a commercial scale. Currently, most of the World’s ethanol is produced from renewable biomass. The biomass feedstocks and fermentation broths used in ethanol production contain high amounts of water, and therefore, the energy efficiency of the process is …

Micro‐Textured Boron Nitride Nanoplatelet Modified Polyethylene Films, Ozgun Ozdemir, Amod A. Ogale

Chemical and Biomolecular Graduate Research Symposium

Linear low density polyethylene (LLDPE) micro‐textured films filled with boron nitride nanoplatelets (BNN) were produced by continuous melt extrusion. Nanoparticles displayed a significant extent of dispersion inside the matrix. The addition of BNN led to more than 10‐fold increase of the in‐plane thermal conductivity (TC) of the nanocomposite (7.7 W/m.K vs 0.3 W/m.K for pure LLDPE), and 1.3‐fold increase of through thickness TC. To increase the surface area available for convective heat transfer, micro‐textured films (T‐BNN) were produced from a micro‐patterned die. Nanoplatelets were aligned parallel to the film machine direction. Film stiffness and tensile strength are comparable to the …

Density Functional Theory Simulations Of Mofs Encapsulated-Catalyzed Systems, Jiazhou Zhu, Rachel B. Getman

Chemical and Biomolecular Graduate Research Symposium

The research is mainly on Computational Design of Highly Selective Transition Metal Catalysts Encapsulated by Metal-­‐Organic Frameworks for Butane Oxidation to 1-­‐Butanol. Metal Organic Framework (MOF) grown over a heterogeneous catalyst. Pores of framework allow only certain molecules of correct size, orientation, or chemical properties to access catalyst. The framework will force molecule into desired orientation where only the terminal atoms will “see” the catalyst. In our simulation we would like to use the helium ring to simulate the MOFs pores, since He is inert and exhibits the no chemical reactivity. The reaction we are looking into is butane oxidation …

Alternative Sample Loading Preparation For Thermal Ionization Mass Spectrometry, Scott M. Husson, Brian Powell, Glenn Fugate, David Locklair, Joseph Mannion

Chemical and Biomolecular Graduate Research Symposium

This contribution describes a new sample loading method for Thermal Ionization Mass Spectrometry (TIMS), which is used in nuclear safeguards and non-proliferation efforts worldwide and is known as the “gold standard” in isotopic ratio measurements of plutonium. TIMS analysis is used to determine grades of nuclear material and the extent of enrichment at production sites. The current sample loading method for TIMS analysis is known as “bead-loading”. While it provides the lowest detection limit of any known method for plutonium analysis, bead-loading is a difficult, time consuming, and expensive method that results in up to 20% sample loss. The major …

Optimal Design Of Hybrid Renewable Energy Systems, Alphonse Hakizimana, Joseph Scott

Chemical and Biomolecular Graduate Research Symposium

Utilization of renewable energy sources such as wind and solar can overcome environmental threats associated with fossil fuels. But expensive power producing and storage components are required to harness and store renewable energy. In addition renewable sources are intermittent, thus unreliable when used independently.

Effect Of Process Variables On Mechanical And Transport Properties Of Carbon Fibers From Mesophase Pitch, Victor Bermudez, Amod Ogale

Chemical and Biomolecular Graduate Research Symposium

To obtain mesophase pitch-based carbon fibers with improved mechanical strength while retaining superior electrical and thermal properties by

i) Systematic investigation of the relationship between DDR versus longitudinal and transverse microstructure of mesophase MP fibers; and

ii) Developing a novel type of microstructure

Cellulose Nanofiber Composite Membranes For Water Purification, Nithinart Chitpong, Scott M. Husson

Chemical and Biomolecular Graduate Research Symposium

Global water demand continues to increase because of population growth, urbanization, and climate change. Since there are limited natural water resources, water purification systems play a critical societal role. Membrane technologies are used widely to improve water quality for beneficial use. Therefore, the development of new membranes is an active area of research in the water purification field.

Density Functional Theory-Based Modeling Of Catalyzed Water Purification, Lizzie Bollman

Chemical and Biomolecular Graduate Research Symposium

No abstract provided.

Producing A Liquid-Lignin Phase From Kraft Black Liquor: Phase Behavior And Structural Characterization, Julian Velez, Mark C. Thies

Chemical and Biomolecular Graduate Research Symposium

No abstract provided.

Effect Of Surface Parameters On Interfacial Water Film Behavior, Brittany Glatz, Luke Rhym, Sapna Sarupria

Graduate Research and Discovery Symposium (GRADS)

Vapor-to-liquid and liquid-to-solid transitions on mineral surfaces are the primary pathways for phase transitions in atmospheric water. These phase transitions affect the microphysics of clouds and have significant effects on the weather and climate. Our overall goal is to elucidate the mechanisms through which surfaces affect these transitions, and develop predictive abilities to correlate surface properties to the thermodynamics and kinetics of the phase transitions. In this work, we use molecular dynamics simulations to study the structure, and dynamics of water near kaolinite-like surfaces. Kaolinite is the most abundant mineral dust in the atmosphere. We specifically investigate the effect of …

Effect Of Co Adsorption And Coverage On Ethanol Production From Syngas, Anuradha Gundamaraju, Ming He, David A. Bruce

Graduate Research and Discovery Symposium (GRADS)

In the future, the availability of reliable alternative fuels will be crucial for any country to become energy independent. One such alternative is ethanol as it can be used both as a fuel and as a fuel additive. Most of the ethanol produced in the world today is derived from biomass. The biomass feedstocks and fermentation broths used in ethanol production both contain high amounts of water and therefore, the energy efficiency of the process is lessened by product separation processes (azeotropic separation of water and ethanol) that are non-trivial and highly inefficient (due to the evaporation of water). An …

Roll-To-Roll Synthesis Of Vertically Aligned Carbon Nanotubes For Electrical Double Layer Capacitors, Margarita R. Arcila-Velez, Jingyi Zhu, Anthony Childress, Mehmet Karakaya, Ramakrishna Podila, Apparao M. Rao, Mark E. Roberts

Graduate Research and Discovery Symposium (GRADS)

No abstract provided.

Recovering A Liquid-Lignin Phase From Paper Mill Black Liquors, Julian Velez, Adam Klett, Mark C. Thies

Graduate Research and Discovery Symposium (GRADS)

No abstract provided.

Analysis Of Solvation Model, Adsorption Site, And Adsorbate Coverage Effects On Adsorption Energies At The Anode In Direct Methanol Fuel Cells, Cameron J. Bodenschatz, Rachel B. Getman

Graduate Research and Discovery Symposium (GRADS)

No abstract provided.

Synthesis And Characterization Of Extractive Scintillating Resin For Ultra-Trace-Level Quantification Of Uranium In Aqueous Media, C Duval, V Bliznyuk, A Seliman, T Devol, S Husson

Graduate Research and Discovery Symposium (GRADS)

The detection and quantification of radionuclides in aqueous media is of interest to both the Environmental Protection Agency, for matters of public health, and international organizations like the Comprehensive Test Ban Treaty Organization, that use environmental samples to investigate claims of illicit nuclear activities. The current method of quantification involves batch style analytical techniques which utilize bulky instruments. Portable, flow cell detectors utilizing extractive scintillating resin with physically sorbed extractants and fluorophores have been developed; however, this resin shows poor long term stability as the active components leach from the resin over time. There is a need to develop chemically …

Optimization Of Pyrochlore Catalysts For Dry Reforming Of Methane, Felipe Polo-Garzon, Ming He, David A. Bruce

Graduate Research and Discovery Symposium (GRADS)

No abstract provided.

Carbon Fibers Derived From Pan/Bio-Based Bicomponent Precursor, Jing Jin

Graduate Research and Discovery Symposium (GRADS)

No abstract provided.

Carbon Fibers Derived From Sustainable Precursors, Meng Zhang, Jing Jin, Amod A. Ogale

Chemical and Biomolecular Graduate Research Symposium

No abstract provided.

Fabrication And Analysis Of Soy Flour Filled Polyethylene Fibers, Ozgun Ozdemir, Sam Lukubira, Amod Ogale, Paul Dawson

Graduate Research and Discovery Symposium (GRADS)

Fibers composed of soy flour (soy) and linear low density polyethylene (PE) were produced by melt spinning method. The mixing time of soy flour and PE was adjusted to get better dispersion of soy flour inside the matrix. The inclusion of soy decreased tensile modulus by 35% and tensile strength by 30% of the fibers compared with 950 MPa and 43 MPa, respectively, for PE fibers. Strain to failure for soy-PE fibers was 292% where PE fibers have strain to failure at 513%. Tensile properties of soy-PE fibers are comparable to those of pure PE. Even washing did not deteriorated …

Development Of Multimodal Membrane Adsorbers For Antibody Purification Using Atom Transfer Radical Polymerization, Juan Wang, Scott M. Husson

Graduate Research and Discovery Symposium (GRADS)

No abstract provided.