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Correlation Of Polymer Performance And Hansen Solubility Parameters, Daniel Jobse Mania 2016 University of Southern Mississippi

Correlation Of Polymer Performance And Hansen Solubility Parameters, Daniel Jobse Mania

Master's Theses

Ready-to-use (RTU) grout is becoming more important to the finish and remodeling construction industry. Market research shows it is a fast-growing product that not only is creating its own space, but is beginning to supplant existing technology.

The original intent of this research was to investigate formulation parameters and how they affect grout performance. It was learned that particle size and oil absorption (OA) value are important filler properties that affect performance as much as adequate packing density and optimal pigment volume concentration (PVC) without going beyond critical PVC (CPVC).

Polymer architecture was also determined to be extremely important, but ...


Dnp-Enhanced Ultrawideline Solid-State Nmr Spectroscopy: Studies Of Platinum In Metal–Organic Frameworks, Takeshi Kobayashi, Frédéric A. Perras, Tian Wei Goh, Tanner L. Metz, Wenyu Huang, Marek Pruski 2016 Iowa State University

Dnp-Enhanced Ultrawideline Solid-State Nmr Spectroscopy: Studies Of Platinum In Metal–Organic Frameworks, Takeshi Kobayashi, Frédéric A. Perras, Tian Wei Goh, Tanner L. Metz, Wenyu Huang, Marek Pruski

Wenyu Huang

Ultrawideline dynamic nuclear polarization (DNP)-enhanced 195Pt solid-state NMR (SSNMR) spectroscopy and theoretical calculations are used to determine the coordination of atomic Pt species supported within the pores of metal–organic frameworks (MOFs). The 195Pt SSNMR spectra, with breadths reaching 10 000 ppm, were obtained by combining DNP with broadbanded cross-polarization and CPMG acquisition. Although the DNP enhancements in static samples are lower than those typically observed under magic-angle spinning conditions, the presented measurements would be very challenging using the conventional SSNMR methods. The DNP-enhanced ultrawideline NMR spectra served to separate signals from cis- and trans-coordinated atomic Pt ...


A Ship-In-A-Bottle Strategy To Synthesize Encapsulated Intermetallic Nanoparticle Catalysts: Exemplified For Furfural Hydrogenation, Raghu V. Maligal-Ganesh, Chaoxian Xiao, Tian Wei Goh, Lin-Lin Wang, Jeffrey Gustafson, Yuchen Pei, Zhiyuan Qi, Duane D. Johnson, Shiran Zhang, Franklin Feng Tao, Wenyu Huang 2016 Iowa State University

A Ship-In-A-Bottle Strategy To Synthesize Encapsulated Intermetallic Nanoparticle Catalysts: Exemplified For Furfural Hydrogenation, Raghu V. Maligal-Ganesh, Chaoxian Xiao, Tian Wei Goh, Lin-Lin Wang, Jeffrey Gustafson, Yuchen Pei, Zhiyuan Qi, Duane D. Johnson, Shiran Zhang, Franklin Feng Tao, Wenyu Huang

Wenyu Huang

Intermetallic compounds are garnering increasing attention as efficient catalysts for improved selectivity in chemical processes. Here, using a ship-in-a-bottle strategy, we synthesize single-phase platinum-based intermetallic nanoparticles (NPs) protected by a mesoporous silica (mSiO2) shell by heterogeneous reduction and nucleation of Sn, Pb, or Zn in mSiO2-encapsulated Pt NPs. For selective hydrogenation of furfural to furfuryl alcohol, a dramatic increase in activity and selectivity is observed when intermetallic NPs catalysts are used in comparison to Pt@mSiO2. Among the intermetallic NPs, PtSn@mSiO2 exhibits the best performance, requiring only one-tenth of the quantity of Pt used ...


Controlling Catalytic Properties Of Pd Nanoclusters Through Their Chemical Environment At The Atomic Level Using Isoreticular Metal–Organic Frameworks, Xinle Li, Tian Wei Goh, Lei Li, Zhiyong Guo, Xiao Cheng Zeng, Wenyu Huang 2016 Iowa State University

Controlling Catalytic Properties Of Pd Nanoclusters Through Their Chemical Environment At The Atomic Level Using Isoreticular Metal–Organic Frameworks, Xinle Li, Tian Wei Goh, Lei Li, Zhiyong Guo, Xiao Cheng Zeng, Wenyu Huang

Wenyu Huang

Control of heterogeneous catalytic sites through their surrounding chemical environment at an atomic level is crucial to catalyst design. We synthesize Pd nanoclusters (NCs) in an atomically tunable chemical environment using isoreticular metal–organic framework (MOF) supports (Pd@UiO-66-X, X = H, NH2, OMe). In an aerobic reaction between benzaldehyde and ethylene glycol, these catalysts show product distributions that are completely altered from the acetal to the ester when we change the functional groups on the MOF linkers from −NH2 to −H/–OMe. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) studies, along with density functional theory (DFT) calculations, show ...


Conversion Of Levulinic Acid To Γ-Valerolactone Over Few-Layer Graphene-Supported Ruthenium Catalysts, Chaoxian Xiao, Tian Wei Goh, Zhiyuan Qi, Shannon Goes, Kyle Brashler, Christopher Perez, Wenyu Huang 2016 Iowa State University

Conversion Of Levulinic Acid To Γ-Valerolactone Over Few-Layer Graphene-Supported Ruthenium Catalysts, Chaoxian Xiao, Tian Wei Goh, Zhiyuan Qi, Shannon Goes, Kyle Brashler, Christopher Perez, Wenyu Huang

Wenyu Huang

Few-layer graphene (FLG) supported ruthenium nanoparticle catalysts were synthesized and used for the hydrogenation of levulinic acid (LA), one of the “top 10” biomass platform molecules derived from carbohydrates. FLG-supported ruthenium catalyst showed 99.7% conversion and 100% selectivity toward γ-valerolactone (GVL) at room temperature in a batch reactor under high-pressure hydrogen. This catalyst showed 4 times higher activity and exceptional stability in comparison with traditional activated carbon supported ruthenium catalysts (Ru/C). X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) studies suggest that the superior catalytic properties of Ru nanoparticles supported on FLG in LA hydrogenation could ...


Synthesis And Applications Of Lanthanide Sulfides And Oxides, Christopher Marin 2016 University of Nebraska-Lincoln

Synthesis And Applications Of Lanthanide Sulfides And Oxides, Christopher Marin

Student Research Projects, Dissertations, and Theses - Chemistry Department

This dissertation focuses on two of the key fields where lanthanides find ready application: as optically active materials with a focus on the lanthanide sulfides, and as catalytic materials with a focus on cerium oxide.

The lanthanide sulfides have attracted considerable interest for their potential as solar energy conversion materials, pigments, infrared window materials, and phosphor host media. However, applications of these materials remain limited due to their synthetic difficulty along with their not well understood properties compounded by both their difficulty in manufacturing as well as in simulating largely due to the need to take into account f-shell electrons ...


The Corrosion Of Carbon Steel Under Deep Geologic Nuclear Waste Disposal Conditions, Shannon L.W. Hill 2016 The University of Western Ontario

The Corrosion Of Carbon Steel Under Deep Geologic Nuclear Waste Disposal Conditions, Shannon L.W. Hill

Electronic Thesis and Dissertation Repository

The proposed disposal scenario for high-level nuclear waste (spent fuel) in Canada is emplacement within a sealed, deep geological repository (DGR) located in either granitic rock or sedimentary clay. Disposal is based on a multi-barrier approach, with the primary barrier being a sealed container which could be either dual-walled with a copper shell over an inner carbon steel vessel for granitic rock or a single thick-walled steel container for sedimentary clay. This study focuses on the corrosion behaviour of A516 Gr70 carbon steel as well as the corrosion products formed in a variety of groundwater compositions and concentrations expected within ...


Friedrich Wöhler, John Alfred Heitmann 2016 University of Dayton

Friedrich Wöhler, John Alfred Heitmann

John A. Heitmann

Friedrich Wöhler synthesized urea in 1828 and thus first demonstrated that organic materials, heretofore believed to possess a vital force, need not be made exclusively within living organisms. He also isolated aluminum metal in 1827 and discovered the elements beryllium and yttrium.


The Treatment Of Exchange In Path Integral Simulations Via An Approximate Pseudopotential, Randall W. Hall 2016 Department of Chemistry, Louisiana State University, Baton Rouge

The Treatment Of Exchange In Path Integral Simulations Via An Approximate Pseudopotential, Randall W. Hall

Randall W. Hall

An approximate form that includes the effects of exchange is suggested for the short time propagator used in path integral simulations. The form is inspired physically by the approximation made in Hartree–Fock treatments of atoms and molecules. The approximate propagator is used with q u a n t i t a t i v e accuracy in two systems: an ideal gas of fermions localized in a three‐dimensional harmonic well and the triplet state of the sodium dimer.


Aqueous Photochemistry Of Glyoxylic Acid, Alexis J. Eugene, Sha-Sha Xia, Marcelo I. Guzman 2016 University of Kentucky

Aqueous Photochemistry Of Glyoxylic Acid, Alexis J. Eugene, Sha-Sha Xia, Marcelo I. Guzman

Chemistry Faculty Publications

Aerosols affect climate change, the energy balance of the atmosphere, and public health due to their variable chemical composition, size, and shape. While the formation of secondary organic aerosols (SOA) from gas phase precursors is relatively well understood, studying aqueous chemical reactions contributing to the total SOA budget is the current focus of major attention. Field measurements have revealed that mono-, di-, and oxo-carboxylic acids are abundant species present in SOA and atmospheric waters. This work explores the fate of one of these 2-oxocarboxylic acids, glyoxylic acid, which can photogenerate reactive species under solar irradiation. Additionally, the dark thermal aging ...


Rotational And Hyperfine Analysis Of Aus, Ian A. Wyse 2016 Macalester College

Rotational And Hyperfine Analysis Of Aus, Ian A. Wyse

Macalester Journal of Physics and Astronomy

Gas phase diatomic gold sulfide, AuS, was analyzed using optical spectroscopy. High-resolution spectra were collected and characterized and a global fit of the A2+-X23/2 (0,0), B2-X23/2 (0,0), and C2Δ3/2-X21/2 (0,0) transitions at 15570 cm-1, 16290 cm-1, and 17670 cm-1 was compiled and resulted in rotational constant determinations for the A2+((2σ)1(4π)4), B2((2σ)2(4π)2(2σ*)1), and C2Δ3/2((2σ)2(4π)2(2σ*)1) upper ...


Metal Assisted Chemical Etching, Inayat Bajwa 2016 Quattrone Nanofabrication Facility

Metal Assisted Chemical Etching, Inayat Bajwa

Protocols and Reports

No abstract provided.


Functionalization Of Metal Oxide Surfaces Through Chemical Reactions And Physical Adsorption, Gabriel C. Graffius 2016 Seton Hall University

Functionalization Of Metal Oxide Surfaces Through Chemical Reactions And Physical Adsorption, Gabriel C. Graffius

Seton Hall University Dissertations and Theses (ETDs)

The synthesis of high surface area metal oxides is an area of extensive research with potential applications in catalysis, adsorption, and materials chemistry. The functionalization of a material’s surface can dramatically change its physical and chemical properties. The research described herein is built on the foundation of traditional techniques used for synthesis, characterization, and functionalization of metal oxides and develops new mechanisms and materials for the functionalization of surfaces.

We began with Methyl-terminated poly(dimethylsiloxanes) (PDMSs), which are typically considered to be inert and not suitable for surface functionalization reactions because of the absence of readily hydrolysable groups. Nevertheless ...


Structural Analysis Of Transient Receptor Potential Vanilloid Type 1 (Trpv1) Channel Protein And Proline Mimics Using Computational Techniques, Kelly A. Raymond 2016 Seton Hall University

Structural Analysis Of Transient Receptor Potential Vanilloid Type 1 (Trpv1) Channel Protein And Proline Mimics Using Computational Techniques, Kelly A. Raymond

Seton Hall University Dissertations and Theses (ETDs)

Chapter I

The Transient Receptor Potential (TRP) family of ion channels encompasses more than 30 members, which are expressed in many different tissues and cell types.1 Transient Receptor Potential Vanilloid Type 1 (TRPV1) is part of the TRP family gated by vanilloids, heat and protons.2 Molecular modeling will be used in order obtain structural and functional data on TRPV1 in its membrane bound environment. In particular, the transmembrane and C-terminal domain regions of TRPV1 are of particular interest. The S1-S4 region of the channel is the putative ligand-binding segment, while the C-terminal domain is suggested to respond to ...


Computational Studies Of Spin Trapping Of Biologically Relevant Radicals By New Heteroaryl Nitrones, Eyram Asempa 2016 East Tennessee State Universtiy

Computational Studies Of Spin Trapping Of Biologically Relevant Radicals By New Heteroaryl Nitrones, Eyram Asempa

Electronic Theses and Dissertations

Heteroaryl nitrone spin traps have been suggested to act as free radical scavengers. The geometry optimizations and the single-point energies of the spin trapping reactions of the heteroaryl nitrones, 5,5-dimethylpyrroline-N-oxide (DMPO) and α-phenyl-N-t-butylnitrone (PBN) have been computationally studied using ab initio (Hartree-Fock (HF) and second-order Møller-Plesset (MP2)) methods and Density Functional Theory (DFT) methods. The effects of new heteroaryl substituents on a parent nitrone spin trap have been examined at the HF and MP2 levels with the 6-31G*, and cc-pVnZ (n=D, T, Q) basis sets. The thermodynamics of the spin trapping at the C-site and O-site ...


Studies Of The Development Of Intermolecular Networks During The Curing Of Coatings Using Single-Sided Nuclear Magnetic Resonance, Frances Jude Morin 2016 College of William and Mary

Studies Of The Development Of Intermolecular Networks During The Curing Of Coatings Using Single-Sided Nuclear Magnetic Resonance, Frances Jude Morin

College of William & Mary Undergraduate Honors Theses

In recent years, the development and accessibility of UV-cured coatings have made them a focus of polymer studies. UV-cured coatings provide a variety of benefits over traditional air-drying coatings. UV-coatings have been studied fairly extensively but many of the techniques used to track curing are destructive. Single-sided nuclear magnetic resonance (NMR) provides an alternative, non-invasive and non-destructive technique for these curing studies. The cross-linking in the coating poly(ethylene glycol) diacrylate (PEGDA) was monitored through two measurements, T2 relaxation and Multiple-Quantum Coherences. These two NMR experiments will provide a picture of the level of molecular network formation during the ...


Mining Uranium From Seawater: A Coordination Chemistry Approach, Nada Mehio 2016 University of Tennessee - Knoxville

Mining Uranium From Seawater: A Coordination Chemistry Approach, Nada Mehio

Doctoral Dissertations

Poly(acrylamidoxime) fibers are the current state-of-the-art adsorbent for mining uranium from seawater. However, the amidoxime group is not perfectly selective towards the uranyl cation, in particular, competition with transition metal cations remains a major challenge. In order for subsequent generations of chelating polymer adsorbents to be improved, the coordination chemistry of amidoxime-uranyl and -transition metal cation complexes needs to be better understood. While the coordination mode of amidoxime-uranyl complexes has been established in the literature, a number of amidoxime-transition metal cation complex binding motifs can be observed on the Cambridge Structrural Database. Likewise, the formation constants, or log K ...


Binding Of Oxygen To Human Hemoglobin Within The Erythrocyte Using Icam Spectrophotometry, Kyle K. Hill 2016 University of Nebraska-Lincoln

Binding Of Oxygen To Human Hemoglobin Within The Erythrocyte Using Icam Spectrophotometry, Kyle K. Hill

Student Research Projects, Dissertations, and Theses - Chemistry Department

Many of the spectrophotometric techniques used to determine the properties of intracellular human hemoglobin cannot be utilized due to the turbidity of erythrocyte suspensions. An Integrating Cavity Absorption Meter, or ICAM, allows for absorption measurements of strongly scattering samples in the visible-light region of the spectrum. The spectrum of oxygenated hemoglobin within erythrocytes is significantly different from the absorption spectrum of oxygenated hemoglobin in solution. Studies of the oxygen binding to hemoglobin in erythrocytes allowed the four sequential binding constants (Adair constants) to be determined and compared with those of hemoglobin in solution. The Adair constants for hemoglobin in solution ...


Is The Maxwell Construction Correct In Predicting The Van Der Waals Fluid's Vapor Pressure?, Carl W. David 2016 University of Connecticut

Is The Maxwell Construction Correct In Predicting The Van Der Waals Fluid's Vapor Pressure?, Carl W. David

Chemistry Education Materials

The Maxwell construction yields a pressure value which traditionally been associated with the vapor pressure. Here, the question is answered whether or not the two phases represented by the construct are indeed in equilibrium.


Photocatalytic Properties Of G-C3n4–Tio2 Heterojunctions Under Uv And Visible Light Conditions, Rachel Fagan, Declan E. McCormack, Steven J. Hinder, Suresh Pillai 2016 Dublin Institute of Technology

Photocatalytic Properties Of G-C3n4–Tio2 Heterojunctions Under Uv And Visible Light Conditions, Rachel Fagan, Declan E. Mccormack, Steven J. Hinder, Suresh Pillai

Articles

Graphitic carbon nitride (g-C3N4) and titanium dioxide (TiO2) were chosen as a model system to investigate photocatalytic abilities of heterojunction system under UV and visible light conditions. The use of g-C3N4 has been shown to be effective in the reduction in recombination through the interaction between the two interfaces of TiO2 andg-C3N4. A simple method of preparing g-C3N4 through the pyrolysis of melamine was employed, which was then added to undoped TiO2 material to form the g-C3N4–TiO2 system. These materials were then fully characterized by X-ray diffraction (XRD), Brunauer Emmett Teller (BET), and various spectroscopic techniques including Raman, X-ray ...


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