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Neutron-Scattering Study Of Librations And Intramolecular Phonons In Rb_{2.6}K_{0.4}C_{60}, D. Reznik, W. A. Kamitakahara, D. A. Neumann, J. R. D. Copley, J. E. Fischer, Robert M. Strongin, M. A. Cichy, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

We report the results of inelastic neutron-scattering measurements on Rb_2.6K_0.4C₆₀. Librational modes were observed as broad peaks with maxima between 4.1 and 4.7 meV, as the temperature is lowered from 300 to 12 K. As in K₃C₆₀, no change in the width or position of the librational peak was observed when the sample was cooled through the superconducting transition. Thus any coupling of the librations to electronic states is small. The magnitude of the orientational potential barrier was estimated from the librational peak frequency. A flat background observed in the …

Catalytic Oxidation Of Chlorinated Hydrocarbons Over Powdered Transition Metal Oxide, Sanmei Xu

Theses

This study addresses the ability of powdered transition metal oxides such as manganese oxide, iron oxide and copper oxide to catalytically oxidize low concentrations of chlorinated hydrocarbons with air. The catalytic oxidation of trichloroethylene and dichloromethane in a tubular reactor system was evaluated experimentally as a function of temperature and space velocity. Gas chromatography with electron capture detector and flame ionization detector was used for quantitative analysis of feed and product streams. Gas chromatography/mass spectrometry and gas chromatography/Fourier transform infrared spectroscopy were used to identify all oxidation products. The results indicate that over 99% conversion of trichloroethylene is achieved at …

The Corrosive Effects Of Salt Spray On Electrolytic Zinc Plated Mechanical Fasteners: The Case Of Clear Chromate And Yellow Dichromate Coatings On Medium Carbon Plated Bolts, Souleymane Boukari

Dissertations and Theses @ UNI

The purpose of this study was to evaluate the relationship between plating thickness and corrosion resistance of zinc coated medium carbon steel bolts under salt spray moisture conditions. Two types of zinc coatings were chosen for the study: the clear chromate zinc and the yellow dichromate zinc. One hundred and eighty 3/8-16 x 5 3/4 inch medium carbon steel bolts were selected for the test and divided into groups of 18. Two types of salt solution were used in the study: the low salt and the high salt. Bolts with various coatings tested with low salt concentration were composed of …

Thermodynamic Properties Of Mixtures Of Aqueous Solutions Of Hydrochloric Acid And Cadmium Chloride, Copper Chloride, Manganese Chloride, And Zinc Chloride, Samia A. Kosa

Masters Theses

The densities of mixtures of aqueous solutions of hydrochloric acid and cadmium chloride, copper chloride, manganese chloride, and zinc chloride have been measured at constant ionic strengths of 1.0 and 3.0 molal at 25 °C. In the case of HCl, CdCl₂ , and ZnCl₂ the literature data were refit using Pitzer' s apparent molal volume equation and the binary solution parameters were determined. Density data were used to determine the volume of mixing (∆V_m). Data from Torok and Berecs were combined with our data for the mixtures with CuCl₂ and MnCl₂. Pitzer's volume …

Nitric Oxide Absorption From Flue Gas With Cumene Hydroperoxide Solution, Chung-Der Chen

Theses

The absorption of nitric oxide from gas streams with cumene hydroperoxide (CHP) in n-hexadecane (cetane) as the scrubbing solution was investigated. The efficiency of the scrubbing solution to remove nitric oxide was evaluated over the temperature range of 90 to 110°C, concentration range of 0.1 to 0.5M, and residence time of 12 to 80 seconds. The products were analyzed by gas chromatography (GC), Fourier transform infrared spectroscopy (FTIR), and ion chromatography (IC). The goal of this research was to determine the NO removing efficiency of cumene hydroperoxide solution, a relatively inexpensive tertiary organic hydroperoxide. Also, a possible reaction mechanism for …

Vadose Zone Contamination Measurement And Modeling, Thomas A. Reeder

Theses and Dissertations

This thesis investigated the effects of the slow sorption mechanism on the transport of volatile organic contaminants in the vadose zone. Recent research has shown that slow sorption may have a significant impact on the transport of volatile organic compounds in the subsurface. Specifically, this document examined the effects of slow sorption on the Vapor Extraction System (VES) and the Purge and Trap Measurement System. It was found that the slow sorption of organic molecules on soil may profoundly influence the efficiency of VES and purge and trap. In addition, this thesis investigated possible alternatives to purge and trap, including …

Thermal Analysis Of Bismaleimide/Graphite Fiber Composite By Tg/Ftir, Qi Zhang

Masters Theses & Specialist Projects

The purpose of this project was to study the thermal and oxidative stability of a specific polymer composite. A TG/FTIR combined technique was employed to characterize this polymer/graphite fiber composite. The polymer composite sample was decomposed in nitrogen, air, and 3% oxygen atmospheres in a Seiko thermogravimetric analyzer. The use of a gas cell Fourier-transform IR spectrometer downstream from the TGA allowed for the identification of evolved gas products.

The thermal oxidative stability (TOS) of this composite was compared to its thermal stability. Also, comparison of the TOS in different atmospheres was made. In addition, the effects of specimen geometry …

35th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Program, abstracts, and information about the 35th annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-sponsored by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Denver, Colorado, July 25-29, 1993.

Microemulsion Characterization By The Use Of A Noninvasive Backscatter Fiber Optic Probe, Rafat R. Ansari, Harbans S. Dhadwal, Michael Cheung, William V. Meyer

Chemical, Biomolecular, and Corrosion Engineering Faculty Research

This paper demonstrates the utility of a noninvasive backscatter fiber optic probe for dynamic light-scattering characterization of a microemulsion comprising sodium dodecyl sulfate/1-butanol/brine/heptane. The fiber probe, comprising two optical fibers precisely positioned in a stainless steel body, is a miniaturized and efficient self-beating dynamic light-scattering system. Accuracy of particle size estimation is better than +/- 2%.

Existence Of High-Order Superlattices In Orientationally Ordered C_{60}, J. E. Fischer, D. E. Luzzi, K. Kniaź, A. R. Mcghie, D. A. Ricketts-Foot, W. R. Romanow, Gavin B. M. Vaughan, Dayin Li, Allan L. Smith, Robert M. Strongin, M. A. Cichy, Laurent Bard, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

We correlate the presence or absence of high-order modulated structures in solid C₆₀ with the differential scanning calorimetry signature of the orientational ordering transition and other diagnostic data. We have searched for, but not observed, the 2a face-centered cubic structure recently observed in low-temperature electron and single-crystal x-ray diffraction. We conclude that the intrinsic ground state is the previously reported simple cubic structure [space groupPa3¯, a(14 K)=14.06 Å], and that other structures may be stabilized by defects or impurities.

Coherence Peak And Superconducting Energy Gap In Rb_{3}C_{60} Observed By Muon Spin Relaxation, R. F. Kiefl, W. A. Macfarlane, K. H. Chow, S. Dunsiger, T. L. Duty, T. M. S. Johnston, J. W. Schneider, J. Sonier, Laurent Brard, Robert M. Strongin, J. E. Fischer, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

Muon spin relaxation resulting from spin exchange scattering of endohedral muonium (μ+e-) with thermal electronic excitations has been observed in the fullerene superconductor Rb₃C₆₀. The temperature dependence of T₁^-1 shows a coherence peak just below T_c and can be fit to the conventional Hebel-Slichter theory for spin relaxation in a superconductor with a broadened BCS density of states. The average energy gap for electronic excitations, Δ/k_B=53(4) K or 2Δ/ k_BT_c=3.6(3), is consistent with the BCS weak coupling limit.

An Elementary Reaction Model For Thermal Decomposition Of Cf2cl2 In A H2 Atmosphere And Experimental Studies On Oxidation Of Ch3oh Plus Ch4 Under Fuel Rich, Stoichiometric And Fuel Lean Conditions, Cheng Guo

Theses

Pyrolysis of CF₂CL₂ in an atmosphere of H₂, has been studied in a tubular flow reactor, 723 to 873 K. Overall eaction conversion proceeds via loss of Cl with CHF₂CL formation, then loss of the second Cl atom and CH₂F₂ product. Initiation occurs by unimolecular Cl atom loss. Subsequent chain propagation steps rapidly generate active H atoms which abstract Cl atoms, but abstraction of fluo-rine atoms by atomic hydrogen is slow at the temperatures of this study.

A small mechanism, about 35 elementary reaction steps, and a thermodynamic data base …

Development Of New Methods For Assessing Solidification/Stabilization Of Hazardous Waste Using Solid-State Nuclear Magnetic Resonance Techniques (Ph.D Dissertation, Lsu), Michael A. Janusa

Faculty Publications

New methods for assessing solidification/stabilization (S/S) of hazardous waste using solid-state nuclear magnetic resonance are developed for the purpose of diagnosing on a microscopic level the performance of S/S as a hazardous waste disposal technique. There are four techniques developed and described in this dissertation: (1) Solid-state deuterium NMR spectroscopy is used to determine if a particular deuterated organic waste is effectively solidified/stabilized and to determine the lower limit of the bond strength between the waste and the cement matrix; (2) Constant time pulsed field gradient ^ NMR spectroscopy is tested on a liquid waste encapsulated within a solidified matrix …

Unusual Thermal Stability Of A Site-Ordered Mc60 Rocksalt Structure (M=K, Rb, Or Cs), Q. Zhu, O. Zhou, J. E. Fischer, Andrew R. Mcghie, W. R. Romanow, Robert M. Strongin, M. A. Cichy, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

X-ray diffraction and differential scanning calorimetry of M_xC₆₀, with x∼1 and M=K, Rb, or Cs, reveal an unusual T-dependent phase sequence. A low-symmetry ground state is found, while the high-T limit is an ordered rocksalt structure in which only the octahedral sites are occupied. The unusual high-T stability of this ordered phase is attributed to the entropy of molecular orientational disorder and/or thermal disorder of the alkali-metal ions within the octahedral sites. Unique to K_xC₆₀ with x≥1.4, we find at intermediate temperatures an fcc site-disordered lattice gas …

2-Carboxybenzenediazonium Chloride Monohydrate, Christopher J. Horan, Charles Leslie Barnes, Rainer Glaser

Chemistry Faculty Research & Creative Works

C₇H₅N₂O₂ ⁺.Cl^-H₂O, M_r = 202.60, monoclinic, C2c, a = 25.62(3), b = 4.964(2), c = 14.900 (14)Å, β = 107.15 (4)°, V = 1811 (3)ų, Z = 8, D_x = 1.486 g cm^-3, λ(Mo Kα) = 0.71073 Å, µ = 3.9 cm^-1, F(000) = 832, T = 298 K, R = 0.035 for 1275 observed reflections. The terminal N atom of the diazonium group is bent away from the carboxyl group. The N₂ and the …

Solid-State Deuterium Nmr Spectroscopy Of D5-Phenol In White Portland Cement: A New Method For Assessing Solidification/Stabilization, Michael A. Janusa

Faculty Publications

We have developed a new NMR-based procedure for studying waste/cement interactions. This is the first use of deuterium NMR spectroscopy to study waste solidification/ stabilization (S/S). The main feature of deuterium NMR spectroscopy is the ability to monitor molecular reorientations over a wide range of reorientation rates. This technique allows one to determine if a particular deuterated organic waste is effectively solidified/ stabilized and to determine the lower limit of the bond strength between the waste and the cement matrix. Comparison of the predicted and experimental deuterium NMR spectra show that phenol is mainly dissolved in pore waters and, thus, …

A-Helical Polypeptide Monolayers, Erwin P. Enriquez

Chemistry Faculty Publications

In efforts to utilize the a-helical structural motif as a basic building block in the formation of supramolecular assemblies, a study of the self-assembly of a-helical poly(glutamate)s from dilute solution onto a solid support was initiated. In particular, poly(y-benzyl-L-glutamate) [PBLG], which has an unusually robust a-helical conformation, was functionalized at the amino terminus with a disulfide-containing moiety (lipoic acid), which in turn has a specific and strong chemisorptive interaction with gold surfaces. The same end group functionalization was used with the /i-alkyl side chain analogs of PBLG. The resulting self-assembled monolayers were characterized by grazing angle reflection infrared (GIR-IR) spectroscopy, …

Provo Pollution Prevention Program, Donald H. Stedman, Gary A. Bishop, James E. Peterson, Theresa Hosick

Fuel Efficiency Automobile Test Publications

No abstract provided.

Absolute-Convective Instabilities And Their Associated Wave Packets In A Compressible Reacting Mixing Layer, F. Q. Hu, T. L. Jackson, D. G. Lasseigne, C. E. Grosch

Mathematics & Statistics Faculty Publications

In this paper the transition from convective to absolute instability in a reacting compressible mixing layer with finite rate chemistry is examined. The reaction is assumed to be one step, irreversible, and of Arrhenius type. It is shown that absolute instability can exist for moderate heat release without backflow. The effects of the temperature ratio, heat release parameter, Zeldovich number, equivalence ratio, direction of propagation of the disturbances, and the Mach number on the transition value of the velocity ratio are given. The present results are compared to those obtained from the flame sheet model for the temperature using the …

Tetrabutylammonium Benzoate‐Initiated Polymerization Of Propylene Oxide, Xuemin Chen, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

The polymerization of propylene oxide by the benzoate anion was aided through the use of the tetrabutylammonium counterion. The effect of the tetrabutylammonium ion was to increase the solubility of the salt and to increase the ion separation. The polymerization was carried out in a pressure reactor at temperatures from 40 to 108°C, producing polymer yields of 2–78%. The study addressed the general effects of solvent, temperature, and ratio of initiator to monomer. © 1993 John Wiley & Sons, Inc. Copyright © 1993 John Wiley & Sons, Inc.

Self-Diffusion Studies In Polymer-Solvent Systems By Pulsed-Gradient Spin-Echo Nuclear Magnetic Resonance, R. Allen Waggoner

Doctoral Dissertations

"Pulsed gradient NMR techniques have been used to study self-diffusion in polymer solutions. The systems studied include toluene, cyclohexane, ethylbenzene, chloroform, t-butyl acetate, and methyl ethyl ketone in polystyrene; methyl methacrylate in poly(methyl methacrylate); poly(ethylene oxide) in water; and water in biological tissue. The polymer diffusion data are evaluated in terms of scaling theory as they relate to the scaling of the polymer diffusion coefficient with molecular weight. The solvent diffusion data are evaluated with kinetic and free-volume theories. In addition a relatively simple dependence of diffusion coefficient on polymer volume fraction is derived from free-volume theory. The solvent diffusion …

Computational Neural Networks In Chemistry: Model Free Mapping Devices For Predicting Chemical Reactivity From Molecular Structure, David Wayne Elrod

Dissertations

Computational neural networks (CNNs) are a computational paradigm inspired by the brain’s massively parallel network of highly interconnected neurons. The power of computational neural networks derives not so much from their ability to model the brain as from their ability to learn by example and to map highly complex, nonlinear functions, without the need to explicitly specify the functional relationship. Two central questions about CNNs were investigated in the context of predicting chemical reactions: (1) the mapping properties of neural networks and (2) the representation of chemical information for use in CNNs.

Chemical reactivity is here considered an example of …

Viscosities Of Vegetable Oils And Fatty Acids, Hossein Noureddini, B. C. Teoh, L. Davis Clements

Papers in Biomaterials

Data for viscosity as a function of temperature from 24 to 110°C (75 to 230°F) have been measured for a number of vegetable oils (crambe, rapeseed, corn, soybean, milk- coconut, lesquerella) and eight fatty acids in the from Cg to CZZ The viscosity measurements were performed according to ASTM test methods D 445 and D 446. Several correlations were fitted to the experimental data. Correlation constants for the best fit are presented. The range of temperature in which the correlations are valid is from 24°C (75°F), or the melting point of the substance, to 110°C (230°F). The correlation constants are …

Synthesis Of Bisphenol A Bis-2-Hydroxypropylmethacrylate (Bisgma) And Diethylchlorophosphate And 2-Hydroxyethylmethacrylate (Decp-Hema) And Preparation Of Dental Adhesives, Da Xie

Theses

BisGMA and DECP-HEMA were separately synthesized from Bisphenol A and glycidyl methacrylate and from diethylchlorophosphate and 2-hydroxyethyl-methacrylate. The structure of the monomer, BisGMA, was further analyzed by means of chromatography, VPO, IR, FTIR and GC-MASS.

Based on the main monomers, BisGMA, DECP-HEMA and an organosilane compound, a dental adhesive has been formulated. Although the tervile strength of the adhesive has been found to be not as good as the adhesive formulated by a previous worker (student), its applicability to teeth is more suitable for clinic practice.

Use Of High-Energy Radiation For Degradation Of Environmental Pollutants, Robert D. Guthrie, Manjiri Patwardhan

KWRRI Research Reports

The purpose of this project was to explore the advantages and/or limitations of high-energy radiation treatment as a method for degrading organic pollutants, particularly aryl halides, in an aqueous medium. We have done analyses of ⁶⁰Co-irradiated samples and kinetic studies using pulsed electron beams. For aryl halides containing no more than two fused rings, the main products detected are those of simple halogen replacement by hydrogen, although the amount of aryl halide destroyed was always greater than the total amount of products detected. To accomplish halogen replacement by H, the reaction solvent may not be pure water but must …

Drying Of Beulah-Zap Lignite, Karl S. Vorres, David L. Wertz, Vivak Malhotra, Yuhong Dang, J.T. Joseph, Ronald Fisher

Faculty Publications

Lignite dried in a stream of dry nitrogen at moderate temperatures (20-80-degrees-C) loses water in two distinguishable modes. The first mode represents about 80-85% of the loss of moisture. The second represents the other 15-20% lost under these conditions. The rate follows a unimolecular mechanism (like radioactive decay) for each mode. The activation energy for the first mode is close to the heat of vaporization of water. The rate is dependent upon the gas flow around the sample and the weight (or thickness) of the sample. Work at Amoco Oil Company indicated that the oil yield was higher for the …

34th Rocky Mountain Conference On Applied Spectroscopy

Rocky Mountain Conference on Magnetic Resonance

Program and registration information for the 34th annual meeting of the Rocky Mountain Conference on Applied Spectroscopy, co-sponsored by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Denver, Colorado, August 2-6, 1992.

Reactions Of Dicarbonyl Compounds With Wittig & Wittig-Horner Reagents, Sadiah Eltayeb Makky

Archived Theses and Dissertations

No abstract provided.

Design Of Stable Di And Tetraradical Nitroxides As Magnetic Resonance Imaging Agents, Radha V. Iyer

Theses

Several nitroxides have been prepared in the Biotechnology Laboratory at NJIT to study their image enhancement capability. These nitroxides contain different moieties within one molecule and their paramagnetism is found to be initially increasing proportionally to the number of their radical centers. It is found that the addition of nitroxides at very close distances causes interference and a reduction of intensity due to the interaction of the two paramagnetic centers with each other. Thus MRI contrast agents are not improved by simple addition of nitroxide centers to a given molecule and drug designers must pay special attention to intramolecular spacing. …

The Use Of Henry's Law Constants In The Determination Of Factors That Influence Voc Concentration In Aqueous And Gaseous Phases In Wastewater Treatment Plant, Hui-Zhi Yu

Theses

This study focuses on the determination and comparison of Henry's law constant of eight selected volatile organic compounds in the wastewater of Linden Roselle Sewerage Authority (LRSA) wastewater treatment plant. The factors that influence the vapor-aqueous equilibrium were studied by calculating the Henry's law constants of the different species determined in the gas phase before and after the spiking of different aqueous media. Both centrifuged and uncentrifuged wastewater samples were studied, and compared to distilled water.

For wastewater sample with no suspended particles, the amount of organics in wastewater appears to influence the Henry's law constant for compounds with low …