Chemistry Commons^™

Characterization Of Iron Oxides And Atmospheric Corrosion Of Steel, Sei Jin Oh

Physics Theses & Dissertations

The study of corrosion behavior was performed using three different analytical techniques, which provided information on the formation, development and layering of iron oxides on the corrosion products as a function of atmospheric conditions, exposure time and type of steel. In particular, the protective layer formed on weathering steel was investigated as a function of different amounts of alloying elements in the steel, atmospheric conditions and exposure times. Combined together, the results provided a better understanding of the atmospheric corrosion behavior of steel, and formed a part of database of the atmospheric corrosion characteristics.

Accurate characterization of the iron oxides …

Cross Sections For The Production Of He+ (Np) 2p0 States By 50 To 150 Kev Proton Impact On Helium, Wayne C. Stolte, R. Bruch

Chemistry and Biochemistry Faculty Research

Cross sections have been measured for the production of He⁺ (np) ²P^o states, n=2,3,4, by proton impact on helium over a projectile velocity range of 1.42–2.45 a.u. (50 ≤E≤150 keV). Cross sections were determined by measuring the extreme ultraviolet photons emitted from excited He1 ions. The data indicate a lower energy than expected for the maximum cross section. A comparison of the present results in terms of projectile energy dependance with the cross sections for excitation to He (1snp) ¹P^o, ionization, and total electron capture suggests the primary mechanism …

Kinetic-Energy- And Angular-Resolved Fragmentation Of Co In Vibrational-Resolved C 1s Excitation, N. Saito, Franz Heiser, Oliver Hemmers, K. Wieliczek, J. Viefhaus, U. Becker

Environmental Studies Faculty Publications

Angular distributions of C⁺+O⁺ from CO were measured, following vibrationally resolved C 1s excitations into the 2pπ, 3sσ, and 3pπ orbitals as well as into higher unresolved orbitals. A time-of-flight mass spectrometer, with a multihit-type position-sensitive anode, was used for the measurements. The anisotropy parameters (β) of C⁺+O⁺ approach their theoretically expected values as the released kinetic energy in the fragmentation increases. The value of the β parameters remains constant for all vibrational states within each orbital.

First Results From The High-Brightness X-Ray Spectroscopy Beamline 9.3.1 At Als, W. Ng, G. Jones, Rupert C. Perera, D. Hansen, J. Daniels, Oliver Hemmers, P. Glans, S. B. Whitfield, H. Wang, Dennis W. Lindle

Environmental Studies Faculty Publications

Beamline 9.3.1 at the Advanced Light Source (ALS) is a windowless beamline, covering the 1–6 keV photon energy range. This beamline is designed to achieve the goal of high brightness at the sample for use in the x‐ray atomic and molecular spectroscopy (XAMS) science, surface and interface science, biology and x‐ray optical development programs at ALS. X‐ray absorption and time‐of‐flight photoemission measurements in 2–5 keV photon energy range along with the flux, resolution, spot size and stability of the beamline will be discussed. Prospects for future XAMS measurements will also be presented.

Neutron Diffraction Structural Study Of Ce₂Fe₁₇₋ₓgaₓ, H. Luo, Z. Hu, William B. Yelon, Sanjay R. Mishra, Gary J. Long, Oran Allan Pringle, D. P. Middleton, K. H. J. Buschow

Physics Faculty Research & Creative Works

Six samples of Ce₂Fe_17-xGa_x with nominal Ga content x equal to 0, 0.3, 0.5, 0.7, 1.0, 2.0 have been studied by powder neutron diffraction at room temperature. Both crystalline and magnetic refinements have been carried out. All six samples adopt the Th₂Zn₁₇-type rhombohedral structure. The only additional phase found is α-iron. Gallium atoms are found to have high affinity for the iron 18h site, and are absent from the 9d and 18f sites. The Ga substitution for Fe leads to an expansion of both the a and c axes. The Curie …

38th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 38th 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 21-26, 1996.

Structure, Dynamics, And Phase Transitions In The Fullerene Derivatives C_{60}O And C_{61}H_{2}, C. Meingast, G. Roth, L. Pintschovius, R. H. Michel, C. Stoermer, M. M. Kappes, Paul A. Heiney, Laurent Brard, Robert M. Strongin, Amos B. Smith Iii

Chemistry Faculty Publications and Presentations

The effect of perturbing the icosohedral symmetry of C₆₀ by the addition of the side groups -O and -CH₂ upon orientational order-disorder and glass transitions in solid C₆₀ has been studied by a combination of high-resolution capacitance dilatometry and single-crystal x-ray and powder inelastic neutron scattering. Both fullerene derivatives C₆₀O (epoxide) and C₆₁H₂ (6,5-annulene) are shown to undergo a sequence of transitions similar to that found in pure C₆₀, i.e., a first-order orientational ordering transition just below room temperature followed by an orientational glass transition at lower temperatures. Although the …

Reconnecting The Sciences, John Eggebrecht, Raymond Dagenais, Don Dosch, Norman J. Merczak, Margaret N. Park, Susan C. Styer, David Workman

Faculty Publications & Research

During the last three years at the Illinois Mathematics and Science Academy, we have been working on a partial reconstruction of Whitehead's "one subject matter," a course reconnecting biology, chemistry, earth and space sciences, and physics into an Integrated Science program.

Neutron Diffraction And Magnetic Studies Of Rfe₁₂₋ₓtₓcY (R=Y,Er; T=V,Ti,Mo) Alloys, Z. Hu, William B. Yelon, X. D. Zhang, William Joseph James

Physics Faculty Research & Creative Works

RFe_12-xT_xC_y, (R=Y,Er; T=V,Ti,Mo) alloys were prepared by rf induction melting and analyzed using neutron powder diffraction and superconducting quantum interference device (SQUID) measurements. Rietveld analysis of the neutron diffraction data indicates that V, Ti, and Mo atoms all prefer the 8i sites. The refined amount of carbon atoms found in the interstitial sites from neutron diffraction data is significantly less than the nominal carbon content. All samples have the easy direction along the c axis. The Er sublattice couples to the Fe sublattice antiferromagnetically. The average Fe site moments range from 1.3 to 2.8 …

Neutron Diffraction Studies Of Ndₙfeₘ₋ₓ₋YVₓalY [(N,M)=(1,12), (2,17), (3,29)], Z. Hu, William B. Yelon, William Joseph James

Physics Faculty Research & Creative Works

Several Nd_nFe_m-x-yV_xAl_y [(n,m)=(1,12), (2,17), (3,29)] samples were prepared and analyzed using neutron powder diffraction. Rietveld analysis of the neutron diffraction data indicates that the V and Al substituents take those sites with similar environments in all three phases, as observed in our previous study of Ti-substituted compounds. It was confirmed that the diffraction data of the 3:29 compound can be better refined using the A2/m space group than using the P2₁/c space group. The SQUID measurements show that all samples have Curie temperatures well above room temperature. The neutron diffraction results …

Site Affinity Of Substituents In Nd₂Fe₁₇₋ₓtₓ (T=Cu,Zr,Nb,Ti,V) Alloys, William B. Yelon, Z. Hu, William Joseph James, G. K. Marasinghe

Physics Faculty Research & Creative Works

In order to understand the magnetic properties of the substituted rare-earth-iron alloys, it is especially important to know the location of the substitutional atoms within the iron lattice. The site distributions of some nontransition-metal substituents in the substituted Nd₂Fe_17-xT_x alloys have previously been reported. Here we report the site distributions of some transition-metal substituents (Cu,Zr,Nb,Ti,V) in the Nd₂Fe_17-xT_x alloys and compare them with those of the nontransition-metal substituted compounds. Rietveld analysis of neutron powder diffraction data indicates that the nontransition-metal substituents show very similar site affinity at low substituent content. …

Neutron Diffraction And Mössbauer Spectral Study Of The Nd₂Fe₁₆Ticₓ Solid Solutions, Gaya Kanishka Marasinghe, Peter C. Ezekwenna, William Joseph James, Gary J. Long, Oran Allan Pringle, Zhongbo Hu, William B. Yelon, Fernande Grandjean

Chemistry Faculty Research & Creative Works

Three samples of , with x equal to 0.0, 0.3, and 2.8, with the Th₂Zn₁₇-type rhombohedral structure, have been studied by powder x-ray and neutron diffraction, magnetic measurements, and Mössbauer spectroscopy. Nd₂Fe₁₆Ti and Nd₂Fe₁₆TiC_0.3 were synthesized by induction melting stoichiometric amounts of the constituent elements, whereas Nd₂Fe₁₆TiC_2.8 was synthesized by methane-derived gas phase insertion of carbon into finely ground Nd₂Fe₁₆Ti at 600 K. The neutron diffraction determined titanium site occupancies are similar in both Nd₂Fe_{16 …}

Auger Resonant Raman Spectroscopy Used To Study The Angular Distributions Of The Xe 4d5/2 → 6p Decay Spectrum, B. Langer, N. Berrah, A. Farhat, Oliver Hemmers, J. Bozek

Environmental Studies Faculty Publications

The Auger resonant Raman effect can be used as a method to eliminate natural lifetime broadening in resonant Auger spectra. We have coupled this method with high-resolution photons from the Advanced Light Source to study angular distributions and decay rates of the Xe4d_5/2→6p resonant Auger lines. The angular distribution parameters β of almost all possible final ionic 5p⁴(³P, ¹D, ¹S)6p states have been determined. Our data, which remove the discrepancy between previous lower-resolution experimental results, are compared to different theoretical results.

A Magnetic Neutron Diffraction, And Mössbauer Spectral Study Of The Ce₂Fe₁₇₋ₓalₓ Solid Solutions, Sanjay R. Mishra, Gary J. Long, Oran Allan Pringle, D. P. Middleton, Zhongbo Hu, William B. Yelon, Fernande Grandjean, K. H. J. Buschow

Chemistry Faculty Research & Creative Works

The magnetic properties of a series of Ce₂Fe_17-xAl_x solid solutions with x equal to 0.00, 0.88, 2.06, 2.81, 3.98, 5.15, 6.08, 7.21, 8.20, 9.08, 9.84, and 10.62 have been studied by magnetic measurements, neutron diffraction, and Mössbauer spectroscopy. The compounds crystallize in the rhombohedral Th₂Zn₁₇-type structure. Magnetization studies indicate that the Curie temperature increases uniformly from 238 K for Ce₂Fe₁₇ to 384 K for Ce₂Fe₁₄Al₃ and then decreases at higher aluminum content. Powder neutron diffraction results, obtained at 295 K, indicate that aluminum …

Upper-Tropospheric Aerosol Sampled During Project Fire Ifo Ii, Donald E. Hagen, Josef Podzimek, Max B. Trueblood

Physics Faculty Research & Creative Works

Aerosols can play a role in the cloud formation process through the heterogeneous nucleation mechanism, and in turn, once formed, cirrus clouds can impact the ambient aerosol through scavenging and other collection mechanisms. University of Missouri aerosol sampling facilities were employed on aircraft for in situ collection and characterization of the particulates near cirrus cloud level. Tandem differential mobility analyzer and impactor techniques were used to measure aerosol size distribution, hydration capability, and particle composition information. Evidence of aerosol layering was observed near the tropospause, and there was a tendency toward depletion of the ambient aerosol at both ends of …

Study Of The Long-Term Desorption Of Trichloroethylene From Clay Soils Using Infrared Spectroscopy, Mary P. Stager

Theses and Dissertations

Slow desorption of contaminants from soil presents one of the greatest challenges to modeling contaminant fate and transport and implementing effective remediation technologies. The kinetics of long-term desorption of trichloroethylene (TCE) from powdered clay soils were studied to determine the desorption rates and mechanism. Infrared absorption spectroscopy was used to monitor the concentration of TCE desorbed from contaminated flint clay for 71 hours. Observed gas phase TCE concentrations as a function of time were compared to that predicted by a one-site Langmuir desorption mechanism. The Langmuir model, with a single type of bonding site, did not account for the release …

A Magnetic, Neutron-Diffraction, And Mössbauer Spectral Study Of The Ce₂Fe₁₇₋ₓsiₓ Solid Solutions, D. P. Middleton, Sanjay R. Mishra, Gary J. Long, Oran Allan Pringle, Zhongbo Hu, William B. Yelon, Fernande Grandjean, K. H. J. Buschow

Chemistry Faculty Research & Creative Works

The magnetic properties of a series of Ce₂Fe_17-xSi_x solid solutions with x equal to 0.0, 0.23, 0.4, 0.6, 0.8, 1.02, 1.98, and 3.20 have been studied by magnetic measurements, neutron diffraction, and Mössbauer spectroscopy. An x-ray-diffraction study indicates that the compounds adopt the rhombohedral Th₂Zn ₁₇-type structure. The substitution of silicon for iron in Ce ₂Fe₁₇ leads to a contraction of the a axis by 0.2%, an expansion of the c axis by 0.2%, and a consequent reduction of the unit-cell volume by about 0.2% per substituted silicon. Magnetization studies …

37th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 37th 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 23-27, 1995.

Angle-Resolved Photoelectron Spectroscopy Of C60, T. Liebsch, O. Plotzke, Franz Heiser, U. Hergenhahn, Oliver Hemmers, R. Wehlitz, J. Viefhaus, B. Langer, S. B. Whitfield, U. Becker

Environmental Studies Faculty Publications

Angle-resolved photoelectron spectra of gaseous C₆₀ were recorded in the photon energy regions from 21 to 108 eV and from 295 to 320 eV. Partial cross sections σ and the angular distribution anisotropy parameter β vary significantly with photon energy, particularly in the near-threshold region of the valence and the core ionization regimes. Some of these effects may be attributed to scattering of the outgoing photoelectron by the atoms of the ionized C₆₀ molecule. Our results indicate that the observed satellites of the C(1s) main line are most likely of shake-up character. Low-energy electrons emitted below the shake-off …

Vibrational-State-Dependent Decay Of The Co C(1s) Excitation, N. Saito, Franz Heiser, Oliver Hemmers, A. Hempelmann, K. Wieliczek, J. Viefhaus, U. Becker

Environmental Studies Faculty Publications

Molecular ionization and ionic fragmentation of core excited CO valence and Rydberg states are studied by partial-ion-yield spectroscopy at vibrational resolution. The vibrational intensities of the Rydberg excitations differ significantly depending on the ionization and/or fragmentation channel. The observed intensity variations are explained by nondissociative excited final ionic states of the subsequent molecular Auger decay. The vibrational levels of these final states become selectively depopulated due to interaction with dissociative decay channels leading to ionic fragmentation.

Design And Performance Of The Advanced-Light-Source Double-Crystal Monochromator, G. Jones, S. Ryce, Dennis W. Lindle, B. A. Karlin, J. C. Woicik, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

A new “Cowan type” double-crystal monochromator, based on the boomerang design used at National Synchrotron Light Source (NSLS) beamline X-24A, has been developed for beamline 9.3.1 at the Advanced Light Source (ALS), a windowless ultrahigh vacuum beamline covering the 1-6 keV photon-energy range. Beamline 9.3.1 is designed to simultaneously achieve the goals of high energy resolution, high flux, and high brightness at the sample. The mechanical design of the monochromator has been simplified, and recent developments in technology have been included. Measured mechanical precision of the monochromator shows significant improvement over existing designs. In tests with x-rays at NSLS beamline …

Observation Of Parity-Unfavored Transitions In The Nonresonant Photoionization Of Argon, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, R. Wehlitz, U. Becker

Environmental Studies Faculty Publications

Single-photon ionization of an atom or molecule can be subdivided into parity-favored and -unfavored transitions, the latter characterized by electron emission, preferentially perpendicular to the electric vector. The nonresonant existence of these transitions is shown experimentally and studied over an extended energy range for a variety of satellite transitions in atomic argon. The spectra exhibit several clearly resolved satellite lines with strongly negative β values close to -1, independent of the photon energy. The results confirm the corresponding predictions of angular-momentum transfer theory.

High-Brightness Beamline For X-Ray Spectroscopy At The Advanced Light Source, Rupert C. Perera, G. Jones, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

Beamline 9.3.1 at the Advanced Light Source (ALS) is a windowless beamline, covering the 1-6 keV photon-energy range, designed to achieve the goals of high energy resolution, high flux, and high brightness at the sample. When completed later this year, it will be the first ALS monochromatic hard-x-ray beamline, and its brightness will be an order-of-magnitude higher than presently available in this energy range. In addition, it will provide flux and resolution comparable to any other beamline now in operation. To achieve these goals, two technical improvements, relative to existing x-ray beamlines, were incorporated. First, a somewhat novel optical design …

A Magnetic, Neutron Diffraction, And Mössbauer Spectral Study Of The Nd₂Fe₁₇₋ₓalₓ Solid Solutions, Gary J. Long, Gaya Kanishka Marasinghe, Sanjay R. Mishra, Oran Allan Pringle, Zhongbo Hu, William B. Yelon, D. P. Middleton, K. H. J. Buschow, Fernande Grandjean

Chemistry Faculty Research & Creative Works

The magnetic properties of a series of Nd₂Fe_17-xAl_x solid solutions, with x equal to 2.04, 4.01, 5.97, 7.94, and 9.06, have been studied by magnetic measurements, neutron diffraction, and Mössbauer spectroscopy. Magnetization studies indicate that the Curie temperature increases from 330 K in Nd₂Fe₁₇ to a maximum of ~470 K at an x of 3.5. The compounds crystallize in the Th₂Zn₁₇ structure with lattice parameters and unit cell volumes which increase linearly with increasing aluminum content. The neutron diffraction results indicate that aluminum atoms are excluded from the 9d …

Three-Body Analytical Potential For Interacting Helium Atoms, Carol A. Parish, Clifford E. Dykstra

Chemistry Faculty Publications

Large basis set ab initio calculations have been carried out for a dense grid of points on the He, potential energy surface. Three-body contributions were extracted at every point, and a number of concise functional representations for the three-body potential surface were then examined. Three-body multipolar dispersion terms and other radial and angular terms were used in the representations, and an assessment of relative importance of the different terms is presented. Combined with a two-body He-He potential, the results of this work should offer a high quality interaction potential for simulations of aggregated helium.

Neutron Diffraction And Mössbauer Effect Study Of Several Nd₂Fe₁₇₋ₓalₓ Solid Solutions, William B. Yelon, H. Xie, Gary J. Long, Oran Allan Pringle, Fernande Grandjean, K. H. J. Buschow

Physics Faculty Research & Creative Works

Aluminum-substituted Nd₂Fe_17-xAl_x solid solutions with x=2.30, 4.44, 6.13, 8.00, and 9.40 have been studied by neutron diffraction and Mössbauer spectroscopy. A Rietveld analysis of the neutron scattering indicates that the aluminum atoms have a high initial affinity for the 18h site, show a high affinity for the 6c site at high aluminum concentrations, and are absent from the 9d site at all aluminum concentrations. The Mössbauer spectra show a maximum in both the maximum and weighted average hyperfine field for x≅2. This indicates that the lattice expansion which occurs with aluminum substitution is sufficient, at …

Neutron-Diffraction And Mössbauer Effect Study Of The Tb₂Fe₁₇₋ₓalₓ Solid Solutions, Gaya Kanishka Marasinghe, Sanjay R. Mishra, Oran Allan Pringle, Gary J. Long, Zhong Bo Hu, William B. Yelon, Fernande Grandjean, D. P. Middleton, K. H. J. Buschow

Physics Faculty Research & Creative Works

The magnetic properties of a series of Tb₂Fe_17-xAl_x solid solutions, with nominal x compositions of 0, 2, 3, 4, 5, 6, 7, and 8, have been studied by neutron diffraction and Mössbauer spectroscopy. Neutron-diffraction data indicate that the compounds all crystallize with the Th₂Zn₁₇ structure and that the aluminum atoms are excluded from the 9d site and show a distinct preference for the 6c site only for an aluminum content greater than 6. The unit-cell volume increases by approximately 1% per aluminum atom substituted in the formula unit. The magnetic moment per …

36th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Program, abstracts, and information about the 36th 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 31 - August 5, 1994.

A Magnetic, Neutron Diffraction, And Mössbauer Spectral Study Of Nd₂Fe₁₅Ga₂ And The Tb₂Fe₁₇₋ₓgaₓ Solid Solutions, Zhong Bo Hu, William B. Yelon, Sanjay R. Mishra, Gary J. Long, Oran Allan Pringle, D. P. Middleton, K. H. J. Buschow, Fernande Grandjean

Physics Faculty Research & Creative Works

An x-ray diffraction study of the substitution of gallium in Tb ₂Fe₁₇ to form the Tb₂Fe_17-xGa_x solid solutions indicates that the compounds adopt the rhombohedral Th₂Zn₁₇ structure. The unit cell volume and the a-axis lattice parameter increase linearly with increasing gallium content. The c-axis lattice parameter increases linearly from x=0 to 6 and then decreases between x=7 and 8. Magnetic studies show the Curie temperature increases by ~150° above that of Tb₂Fe₁₇ to reach a maximum between x=3 and 4, and then decreases with further increases in …

Comparative Mössbauer Effect Study Of Several R₂Fe₁₇ And R₂Fe₁₇Nₓ Compounds, Gary J. Long, Sanjay R. Mishra, Oran Allan Pringle, Fernande Grandjean, K. H. Buschow

Chemistry Faculty Research & Creative Works

The Mössbauer spectra of Sm₂Fe₁₇ and Ho ₂Fe₁₇ and their nitrides have been measured between 295 and 85 K and analyzed with a model which is consistent with our earlier work on R₂Fe₁₇ and R₂Fe₁₇N_x compounds, where R is Pr, Nd, and Th. This model is completely consistent throughout these rare-earth compounds and is in agreement with the crystallographic changes occurring upon nitrogenation and with the prediction of band structure calculations. The dramatic increase in Curie temperature in the nitrides results from the expansion of the crystallographic …