Origin of planetary primordial rare gas - The possible role of adsorption.

Science.gov (United States)

Fanale, F. P.; Cannon, W. A.

1972-01-01

The degree of physical adsorption of Ne, Ar, Kr, and Xe on pulverized samples of the Allende meteorite at 113 K has been measured. The observed pattern of equilibrium enrichment of heavy rare gases over light on the pulverized meteorite surfaces relative to the gas phase is similar to the enrichment pattern exhibited by planetary primordial rare gas when compared with the composition of solar rare gas. Results indicate that, at 113 K, a total nebular pressure of from .01 to .001 atm would be required to explain the Ar, Kr, and Xe abundances in carbonaceous chondrites with an adsorption mechanism. This pressure estimate is compatible with the range of possible nebular pressures suggested by astrophysical arguments. However, the subsequent mechanism by which initially adsorbed gas might have been transferred into the interiors of grains cannot be identified at present.

Gas chromatographic determination of impurities of inorganic compounds

International Nuclear Information System (INIS)

Drugov, Yu.S.

1985-01-01

Methods of concentration, separation, detection in gas chromatographic determination of impurities of inorganic compounds including low-boiling gases, reactive gases, organometallic compounds, free metals, anions, etc. are reviewed. Methods of reaction gas chromatography for determining reactive gases, water, anions, metal chelates are considered in detail as well as methods of reaction-sorption concentration and reaction gas extraction. The application of gas chromatograpny ior anaiysis of water and atmosphere contamination, for determination of impurities in highly pure solid substances and gases is described

Crystal field in rare-earth metals and intermetallic compounds

International Nuclear Information System (INIS)

Ray, D.K.

1978-01-01

Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

Calculated apparent yields of rare gas fission products

International Nuclear Information System (INIS)

Delucchi, A.A.

1975-01-01

The apparent fission yield of the rare gas fission products from four mass chains is calculated as a function of separation time for six different fissioning systems. A plot of the calculated fission yield along with a one standard deviation error band is given for each rare gas fission product and for each fissioning system. Those parameters in the calculation that were major contributors to the calculated standard deviation at each separation time were identified and the results presented on a separate plot. To extend the usefulness of these calculations as new and better values for the input parameters become available, a third plot was generated for each system which shows how sensitive the derived fission yield is to a change in any given parameter used in the calculation. (U.S.)

Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

International Nuclear Information System (INIS)

Ning Yang

2004-01-01

Thermal expansion anomalies of R 2 Fe 14 B and R 2 Fe 17 C x (x = 0,2) (R Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (T c ) is observed. The a-axes show relatively larger invar effects than c-axes in the R 2 Fe 14 B compounds whereas the R 2 Fe 17 C x show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R 2 Fe 14 B compounds but in R 2 Fe 17 C x , the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R 2 Fe 14 B and the dumbbell sites in R 2 Fe 17 C x have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R 2 Fe 17 compounds are attributed to the increased separation of Fe hexagons. The R 2 Fe 17 and R 2 Fe 14 B phases with magnetic rare earth ions also show anisotropies of thermal expansion above T c . For R 2 Fe 17 and R 2 Fe 14 B the a a /a c > 1 whereas the anisotropy is reversed with the interstitial carbon in R 2 Fe 17 . The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and phenomenological models on spontaneous magnetostriction are discussed and a Landau model on the spontaneous magnetostriction is proposed

Analysis of “Favorable Growth Element” Based on Rare Earth-aluminum Composite Mechanism of Compound Process

Science.gov (United States)

Hao, Baohong; Zeng, Qihui; Zhao, Jin

2018-01-01

Under the background that failure resulted in by high temperature once only aluminum oxide is used as the gasoline additive. This paper, with the purpose to solve this problem, is to synthesize AcAl oxide for gasoline additive. In order to get the rare-earth-aluminum oxide, first, a complex model of rare earth oxide based on theories about ion coordination is established. Then, by the complex model, the type of “compound growth unit” when rare earth elements join the hydrothermal conditions and the inclination that “diversification” might probably happen are deduced. Depending on the results got by complex model, this paper introduces the type of compound and its existence conditions of “Compound growth unit” owned by stable rare-earth-aluminum oxide. By adjusting the compositions of modifier, compound materials of rare earth-aluminum oxide used for gasoline additive is made. By XRD test, aperture test, adsorption test and desorption test, the theoretical deduction is proved to be right. From the experiment, it is concluded that: a dense environment is the pre-condition to form rare-earth-aluminum polymer, which is also an essential condition for the polymer to update to a favorable growth unit and produce mesoporous rare-earth-aluminum oxide with high activity.

Biotransformation of natural gas and oil compounds associated with marine oil discharges.

Science.gov (United States)

Brakstad, Odd Gunnar; Almås, Inger K; Krause, Daniel Franklin

2017-09-01

Field data from the Deepwater Horizon (DWH) oil spill in the Gulf of Mexico (GoM) suggested that oxidation of gas compounds stimulated biodegradation of oil compounds in the deep sea plume. We performed experiments with local seawater from a Norwegian fjord to examine if the presence of dissolved gas compounds (methane, ethane and propane) affected biodegradation of volatile oil compounds, and if oil compounds likewise affected gas compound oxidation. The results from the experiment showed comparable oil compound biotransformation rates in seawater at 5 °C between seawater with and without soluble gases. Gas oxidation was not affected by the presence of volatile oil compounds. Contrary to DWH deep sea plume data, propane oxidation was not faster than methane oxidation. These data may reflect variations between biodegradation of oil and gas in seawater environments with different history of oil and gas exposure. Copyright © 2017 Elsevier Ltd. All rights reserved.

Study on the excited diatomic molecules of rare gas

International Nuclear Information System (INIS)

Kasama, Kunihiko; Arai, Shigeyoshi

1981-01-01

The study on the excited diatomic molecules of rare gas is presented. The absorption spectra, the mechanism of formation and attenuation and the reactions with other molecules are described. The excitation of rare gas was made by using a pulsed electron beam generator. The absorption of excited diatomic molecules was measured as the functions of time. Two absorption peaks were observed. The electron states of rare gases were estimated. The observed and calculated transition values were given for each peak. The absorption spectra of Ne change with time. The spectra of Ar do not change with time. Four and eleven absorption maxima were seen in the spectra of Kr and Xe, respectively. In the case of Ar, the thermal equilibrium existed. The constants of the production and attenuation rates were obtained as the functions of Ar gas pressure. In the case of Ne, there wad definitely the time dependence of absorption spectra. The attenuation constant was obtained for each transition between various vibration levels. It is necessary to consider the relaxation from high vibrational levels. The energy transfer between vibrational levels hardly occurred in Ne because the intervals are large. When there are other molecules, the attnuation was accelerated. (Kato, T.)

Spectrographic determination of some rare earths in thorium compounds

International Nuclear Information System (INIS)

Brito, J. de.

1977-01-01

A method for spectrographic determination of Gd, Sm, Dy, Eu, Y, Yb, Tm and Lu in thorium compounds has been developed. Sensibilities of 0.01 μg rare earths/g Th02 were achieved. The rare earth elements were chromatographycally separated in a nitric acid-ether-cellulose system. The solvent mixture was prepared by dissolving 11% of concentrated nitric acid in ether. The method is based upon the sorption of the rare earths on activated cellulose, the elements being eluted together with 0.01 M HNO 3 . The retention of the 152 , 154 Eu used as tracer was 99,4%. The other elements showed recoveries varying from 95 to 99%. A direct carrier destillation procedure for the spectrochemical determination of the mentioned elements was used. Several concentrations of silver chloride were used to study the volatility behavior of the rare earths. 2%AgCl was added to the matrix as definite carrier, being lantanum selected as internal standard. The average coefficient of variation for this method was +- -+ 7%. The method has been appleid to the analysis of rare earths in thorium coumpounds prepared by Thorium Purification Pilot Plant at Atomic Energy Institute, Sao Paulo [pt

Cross section determination for the higher ionization of rare gas ions by electron collisions

International Nuclear Information System (INIS)

Becker, R.; Frodl, R.; Klein, H.; Schmidt, W.; Clausnitzer, G.; Klinger, H.; Mueller, A.; Salzborn, E.; Fuchs, G.; Viehboeck, F.

1975-01-01

The higher ionization of rare gas ions is reported on, which were excited by an electron beam using a crossed-beam technique. A detector for the identification of metastable excited rare gas ions was developed. (WL) [de

Collisions of halogen (2P) and rare gas (1S) atoms

International Nuclear Information System (INIS)

Becker, C.H.

1978-12-01

Differential cross sections I (THETA) at several collision energies measured in crossed molecular beam experiments are reported for several combinations of halogen atoms ( 2 P) scattered off rare gas-rare gas atoms ( 1 S 0 ), namely, F + Ne, F + Ar, F + Kr, F + Xe, C1 + Xe. The scattering is described by an elastic model appropriate to Hund's case c coupling. With the use of this model, the X 1/2, I 3/2, and II 1/2 interaction potential energy curves are derived by fitting calculated differential cross sections, based on analytic representations of the potentials, to the data. The F - Xe X 1/2 potential shows a significant bonding qualitatively different than for the other F-rare gases. The I 3/2 and II 1/2 potentials closely resemble the van der Waals interactions of the one electron richer ground state rare gas-rare gas systems. Coupled-channel scattering calculations are carried out for F + Ar, F + Xe, and C1 + Xe using the realistic potential curves derived earlier. The results justify the use of the elastic model, and give additional information on intramultiplet and intermultiplet transitions. The transitions are found to be governed by the crossing of the two Ω = 1/2 potentials in the complex plane. The measured I (theta) and I (THETA) derived from the coupled-channel computations show small oscillations or perturbations (Stueckelberg oscillations) though quantitative agreement is not obtained.The nature of the anomalous F - Xe X 1/2 potential is discussed as is the approximation of a constant spin orbit coupling over the experimentally accessible range of internuclear distances for these open shell molecules. 55 references

Soft landing of size selected clusters in rare gas matrices

International Nuclear Information System (INIS)

Lau, J.T; Wurth, W.; Ehrke, H-U.; Achleitner, A.

2003-01-01

Soft landing of mass selected clusters in rare gas matrices is a technique used to preserve mass selection in cluster deposition. To prevent fragmentation upon deposition, the substrate is covered with rare gas matrices to dissipate the cluster kinetic energy upon impact. Theoretical and experimental studies demonstrate the power of this technique. Besides STM, optical absorption, excitation, and fluorescence experiments, x-ray absorption at core levels can be used as a tool to study soft landing conditions, as will be shown here. X-ray absorption spectroscopy is also well suited to follow diffusion and agglomeration of clusters on surfaces via energy shifts in core level absorption

Charge and spin density in s-stable rare earth intermetallic compounds

International Nuclear Information System (INIS)

Graaf, H. de.

1982-01-01

This thesis deals with a study of the electronic structure of rare earth intermetallic compounds, in particular the electronic charge and spin density distribution. These are closely related to the properties of the rare earth ions, which carry the partly filled 4f shell. In chapter 1 a survey of the theory of hyperfine interaction as far as it has a bearing on the Moessbauer effect of 155 Gd and 151 Eu is given. Also some details of the Moessbauer spectra, which have practical importance are discussed. In chapter 2 the experimental set-up is described. Special attention is paid to the gamma radiation source and gamma detection requirements. In chapter 3 the author introduces the theoretical framework which will be used to interpret the measurements. In chapter 4 the results of the 155 Gd Moessbauer measurements are presented. Also it is discussed how the result can be understood in terms of the charge and spin density in rare earth intermetallic compounds. In order to lend support to the picture emerging from the previous chapter, in chapter 5 the conduction electron band structure of some representative Gd intermetallics is computed with an approximate semi-empirical LCAO method. The results are compared with those from chapter 4. Finally, in chapter 6, the 151 Eu resonance is used to investigate the temperature dependence of the hyperfine field and line width in the Eu intermetallic compounds Eu 2 Mg 17 and EuMg 5 . (Auth.)

The present status of rare gas release control

International Nuclear Information System (INIS)

Yamamoto, Hiroshi

1974-01-01

Of the rare gases Ar, Kr and Xe released from nuclear facilities, the problem of release control can be confined to 41 Ar, 85 Kr and 133 Xe. The cases of the latter two are described, as 41 Ar is not much significant. 133 Xe, having relatively short half-life, can be dealt sufficiently by holding-up in case of light water reactors. 85 Kr of long half-life must be removed : the methods are low temperature adsorption, liquefaction distillation, absorption and diaphragm method. As for future problem, there is disposal of concentrated rare gas. (Mori, K.)

Rare earths in uranium compounds and important evidences for nuclear forensic purposes

International Nuclear Information System (INIS)

Rosa, Daniele S.; Sarkis, Jorge E.S.

2011-01-01

Nuclear forensics mainly focuses on the nuclear or radioactive material and aims to providing indication on the intended use, the history and even the origin of the material. Uranium compounds have isotopic or chemical characteristics that provide unambiguous information concerning their origin and production process. Rare earths elements (REE) are a set of sixteen chemical elements in the periodic table, specifically the fourteen Lanthanides in addition scandium and yttrium. These elements are often found together but in widely variable concentrations in uncommon varieties of igneous rocks. A large amount of uranium is in rare earths deposits, and may be extracted as a by-product. Accordingly, REE in uranium compounds can be used as an evidence of uranium origin. In this study, REE was determined in uranium compounds from different origin. Measurements were carried out using a High resolution inductively coupled plasma mass spectrometer (HR-ICP-MS) Element 2, in low resolution mode (R-300). (author)

Effects of anisotropic interaction-induced properties of hydrogen-rare gas compounds on rototranslational Raman scattering spectra: Comprehensive theoretical and numerical analysis

Energy Technology Data Exchange (ETDEWEB)

Głaz, Waldemar, E-mail: glaz@kielich.amu.edu.pl; Bancewicz, Tadeusz [Nonlinear Optics Division, Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland); Godet, Jean-Luc [Laboratoire de Photonique d’Angers, Université d’Angers, 2 Boulevard Lavoisier, 49045 Angers (France); Gustafsson, Magnus [Department of Engineering Sciences and Mathematics, Luleå University of Technology, SE-97187 Luleå (Sweden); Haskopoulos, Anastasios; Maroulis, George [Department of Chemistry, University of Patras, GR-26500 Patras (Greece)

2016-07-21

A comprehensive study is presented of many aspects of the depolarized anisotropic collision induced (CI) component of light scattered by weakly bound compounds composed of a dihydrogen molecule and a rare gas (Rg) atom, H{sub 2}–Rg. The work continues a series of earlier projects marking the revival of interest in linear light scattering following the development of new highly advanced tools of quantum chemistry and other theoretical, computational, and experimental means of spectral analyses. Sophisticated ab initio computing procedures are applied in order to obtain the anisotropic polarizability component’s dependence on the H{sub 2}–Rg geometry. These data are then used to evaluate the CI spectral lines for all types of Rg atoms ranging from He to Xe (Rn excluded). Evolution of the properties of CI spectra with growing polarizability/masses of the complexes studied is observed. Special attention is given to the heaviest, Kr and Xe based, scatterers. The influence of specific factors shaping the spectral lines (e.g., bound and metastable contribution, potential anisotropy) is discussed. Also the share of pressure broadened allowed rotational transitions in the overall spectral profile is taken into account and the extent to which it is separable from the pure CI contribution is discussed. We finish with a brief comparison between the obtained results and available experimental data.

Magnetostriction of some cubic rare earth-Co2 compounds in high magnetic fields

International Nuclear Information System (INIS)

Moral, A. del; Melville, D.

1975-01-01

Magnetostriction measurements have been carried out in the cubic Laves phase compounds DyCo 2 , HoCo 2 and ErCo 2 from 10 K to well above their respective Neel temperatures Tsub(N). Pulsed magnetic fields up to 15 T (150kOe) were applied. The observed magnetostrictions are very large (approximately 10 -3 ) being similar to those found in the RFe 2 compounds. The measurements confirm the extremely high anisotropy of these materials. At the highest fields the polycrystalline samples are still undergoing rotational magnetization processes. The expected values of the saturation magnetostriction at O K are similar in sign and magnitude to those found in the corresponding rare earth metals. This fact and the scaling of magnetostriction with rare earth sublattice magnetization indicates that the rare earth ion is the main source of the magnetostriction. The metamagnetic transition above Tsub(N) has been studied, the relation between critical field and temperature being nonlinear for HoCo 2 and ErCo 2 . The compounds are highly anisotropic above Tsub(N) and all the features indicate that the field-induced phases are likely to be ferrimagnetic. (author)

Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

Energy Technology Data Exchange (ETDEWEB)

Yang, Ning [Iowa State Univ., Ames, IA (United States)

2004-12-19

Thermal expansion anomalies of R₂Fe₁₄B and R₂Fe₁₇C_x (x = 0,2) (R = Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (T_c) is observed. The a-axes show relatively larger invar effects than c-axes in the R₂Fe₁₄B compounds whereas the R₂Fe₁₇C_x show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R₂Fe₁₄B compounds but in R₂Fe₁₇C_x, the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R₂Fe₁₄B and the dumbbell sites in R₂Fe₁₇C_x have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R₂Fe₁₇ compounds are attributed to the increased separation of Fe hexagons. The R₂Fe₁₇ and R₂Fe₁₄B phases with magnetic rare earth ions also show anisotropies of thermal expansion above _c. For R₂Fe₁₇ and R₂Fe₁₄B the a _a/a _c > 1 whereas the anisotropy is reversed with the interstitial carbon in R₂Fe₁₇. The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and

Dissymmetry effects on the laser spectroscopy of supersonically expanded rare gas/chiral arene heteroclusters.

Science.gov (United States)

Filippi, Antonello; Giardini, Anna; Marcantoni, Enrico; Paladini, Alessandra; Piccirillo, Susanna; Renzi, Gabriele; Rondino, Flaminia; Roselli, Graziella; Satta, Mauro; Speranza, Maurizio

2007-04-14

The R2PI-TOF spectra of supersonically expanded rare gas/chiral arene heteroclusters have been rationalized in terms of the distortion of the pi-electron density reflecting the different dipole and quadrupole momenta induced in the rare gas atoms by interaction with the opposite pi-faces of the chiral arene itself.

Sythesis of rare earth metal - GIC graphite intercalation compound in molten chloride system

International Nuclear Information System (INIS)

Ito, Masafumi; Hagiwara, Rika; Ito, Yasuhiko

1994-01-01

Graphite intercalation compounds of ytterbium and neodymium have been prepared by interacting graphite and metals in molten chlorides. These rare earth metals can be suspended in molten chlorides in the presence of trichlorides via disproportionation reaction RE(0) + RE(III) = 2RE(II) at lower than 300 degC. Carbides-free compounds are obtained in these systems. (author)

Kinetic analysis of rare gas metastable production and optically pumped Xe lasers

Science.gov (United States)

Demyanov, A. V.; Kochetov, I. V.; Mikheyev, P. A.; Azyazov, V. N.; Heaven, M. C.

2018-01-01

Optically pumped all-rare-gas lasers use metastable rare gas atoms as the lasing species in mixtures with He or Ar buffer gas. The metastables are generated in a glow discharge, and we report model calculations for the optimal production of Ne*, Ar*, Kr* and Xe*. Discharge efficiency was estimated by solving the Boltzmann equation. Laser efficiency, gain and output power of the CW optically pumped Xe laser were assessed as functions of heavier rare gas content, pressure, optical pump intensity and the optical path length. It was found that, for efficient operation the heavier rare gas content has to be of the order of one percent or less, and the total pressure—in the range 0.3-1.5 atm. Output power and specific discharge power increase approximately linearly with pump intensity over the output range from 300-500 W cm-2. Ternary mixtures Xe:Ar:He were found to be the most promising. Total laser efficiency was found to be nearly the same for pumping the 2p8 or 2p9 state, reaching 61%-70% for a pump intensity of ~720 W cm-2 when the Xe fraction was in the range 0.001 ÷ 0.01 and Ar fraction—0.1 ÷ 0.5. However, when the 2p8 state was pumped, the maximum total efficiency occurred at larger pressures than for pumping of the 2p9 state. The discharge power density required to sustain a sufficient Xe* number density was in the range of tens of watts per cubic centimeter for 50% Ar in the mixture.

Photochemistry in rare gas clusters

International Nuclear Information System (INIS)

Moeller, T.; Haeften, K. von; Pietrowski, R. von

1999-01-01

In this contribution photochemical processes in pure rare gas clusters will be discussed. The relaxation dynamics of electronically excited He clusters is investigated with luminescence spectroscopy. After electronic excitation of He clusters many sharp lines are observed in the visible and infrared spectral range which can be attributed to He atoms and molecules desorbing from the cluster. It turns out that the desorption of electronically excited He atoms and molecules is an important decay channel. The findings for He clusters are compared with results for Ar clusters. While desorption of electronically excited He atoms is observed for all clusters containing up to several thousand atoms a corresponding process in Ar clusters is only observed for very small clusters (N<10). (orig.)

Photochemistry in rare gas clusters

Energy Technology Data Exchange (ETDEWEB)

Moeller, T.; Haeften, K. von; Pietrowski, R. von [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Hamburger Synchrotronstrahlungslabor; Laarman, T. [Universitaet Hamburg, II. Institut fuer Experimentalphysik, Luruper Chaussee 149, D-22761 Hamburg (Germany)

1999-12-01

In this contribution photochemical processes in pure rare gas clusters will be discussed. The relaxation dynamics of electronically excited He clusters is investigated with luminescence spectroscopy. After electronic excitation of He clusters many sharp lines are observed in the visible and infrared spectral range which can be attributed to He atoms and molecules desorbing from the cluster. It turns out that the desorption of electronically excited He atoms and molecules is an important decay channel. The findings for He clusters are compared with results for Ar clusters. While desorption of electronically excited He atoms is observed for all clusters containing up to several thousand atoms a corresponding process in Ar clusters is only observed for very small clusters (N<10). (orig.)

VUV spectroscopy of rare gas van der Waals dimers

International Nuclear Information System (INIS)

Dehmer, P.M.; Pratt, S.T.

1982-01-01

We have undertaken a systematic study of the photoionization spectra of the homonuclear and heteronuclear rare gas dimers in order to better understand the nature of the bonding in the Rydberg states adnd ions of these molecules. We have obtained results for Ar 2 , Kr 2 , Xe 2 , NeAr, NeKr, NeXe, ArKr, ArXe, and KrXe. Of the remaining dimer species (Ne 2 and the Herare gas dimers), only Ne 2 has been studied using photoionization mass spectrometry. The results of the present series of experiments provide information both on the excited states of the neutral dimers and on the ground and excited states of the dimer ions. Using the data obtained in these measurements, we are able to compile for the first time a nearly complete list of ground state dissociation energies for the homonuclear and heteronuclear rare gas dimer ions. Somewhat less complete results are obtained for the excited states of these species. The observed trends in binding energy provide an excellent example of the systematic changes that occur as a result of changes in atomic orbital energies, polarizability, and internuclear distance, and these trends can be explained qualitatively in terms of simple molecular orbital theory

Compound-complex odontoma: A case report of a rare variant

Directory of Open Access Journals (Sweden)

Nishath Khanum

2014-01-01

Full Text Available The odontoma is a benign tumor containing all the various component tissues of the teeth. It is the most common odontogenic tumor representing 67% of all odontogenic tumors. Odontomas are considered to be developmental anomalies (hamartomas rather than true neoplasms. Based on the degree of morphodifferentiation or on the basis of their resemblance to normal teeth, they are divided into compound and complex odontomas. The compound odontoma is composed of multiple, small tooth-like structures. The complex odontoma consists of a conglomerate mass of enamel and dentin, which bears no anatomic resemblance to a tooth. They are usually diagnosed on routine radiological examinations in the second decade of life and are often slow growing and non-aggressive in nature. Here, we report a case of rare, unusually large, compound-complex odontoma, located in the left anterior maxilla of a 13-year-old male patient.

Effect of molecular structure on fragmentation of isolated organic molecules in solid rare gas matrices

International Nuclear Information System (INIS)

Kobzarenko, A.V.; Sukhov, F.F.; Orlov, A.Yu.; Kovalev, G.V.; Baranova, I.A.; Feldman, V.I.

2012-01-01

The effect of excess energy on the primary radical cations of bifunctional carbonyl compounds and aliphatic alkynes was simulated by matrix isolation method using rare gas matrices with various ionization potentials. The formation of fragmentation products was monitored by EPR and FTIR spectroscopy. It was shown that the radical cations of bifunctional compounds (CH 3 OCH 2 COCH 3 and CH 3 COCOCH 3 ) dissociated effectively yielding · CH 3 radicals upon irradiation in solid argon matrix at T≤16 K. In addition to isolated methyl radicals, the radical pairs consisting of two methyl radicals separated by two CO molecules were detected in the case of diacetyl. The probability of fragmentation decreases with the decreasing excess energy by switching from Ar to Xe. In general, bifunctional molecules were found to be less stable to “hot” ionic fragmentation in low-temperature solids in comparison with simple prototype compounds. In the case of alkynes of the R--C≡CH type, a noticeable yield of fragmentation products was observed when R=–C(CH 3 ) 3 , but it was negligible for R=–CH 3 . The mechanisms of “hot” reactions and excess energy relaxation are discussed. - Highlights: ► Radiolysis of bifunctional organic compounds and alkynes. ► Dependence of “hot” fragmentation probability from molecular structure. ► Ions of bifunctional compounds are less stable than those of monofunctional ones. ► Alkynes are rather stable to “hot” fragmentation.

Magnetism in rare-earth metals and rare-earth intermetallic compounds

International Nuclear Information System (INIS)

Johansson, B.; Nordstroem, L.; Eriksson, O.; Brooks, M.S.S.

1991-01-01

Some of out recent local spin density electronic structure calculations for a number of ferromagnetic rare-earth systems are reviewed. A simplified model of the level densities for rare-earth (R) transition metal (M) intermetallic compounds, R m M n , is used to describe in a simple way the main features of their basic electronic structure. Explicit calculations for LuFe 2 and RFe 2 (R=Gd-Yb) systems are presented, where a method to treat simultaneously the localized 4f and the conduction electron spin magnetism is introduced. Thereby it becomes possible to calculate the K RM exchange coupling constant. This method is also used to study theoretically the permanent magnet material Nd 2 Fe 14 B. The electronic structure of the anomalous ferromagnets CeFe 2 and CeCo 5 is discussed and an induced 4f itinerant magnetism is predicted. The γ-α transition in cerium metal is considered, and results from calculations including orbital polarization are presented, where a volume collapse of 10% is obtained. On one side of the transition the 4f electrons are calculated to be essentially non-bonding (localized) and on the other side they are found to contribute to the metallic bonding and this difference in behaviour gives rise to the volume collapse. Recent calculations by Wills, Eriksson and Boring for the crystal structure changes in cerium metal under high pressure are discussed. Their successful results imply an itinerant picture for the 4f electrons in α-cerium. Consequently this strongly supports the view that the γ-α phase transformation is caused by a Mott transition of the 4f electrons. (orig.)

Structure and properties of intermetallic ternary rare earth compounds

International Nuclear Information System (INIS)

Casper, Frederick

2008-01-01

The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

Structure and properties of intermetallic ternary rare earth compounds

Energy Technology Data Exchange (ETDEWEB)

Casper, Frederick

2008-12-17

The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

Accurate Ne-heavier rare gas interatomic potentials

International Nuclear Information System (INIS)

Candori, R.; Pirani, F.; Vecchiocattivi, F.

1983-01-01

Accurate interatomic potential curves for Ne-heavier rare gas systems are obtained by a multiproperty analysis. The curves are given via a parametric function which consists of a modified Dunham expansion connected at long range with the van der Waals expansion. The experimental properties considered in the analysis are the differential scattering cross sections at two different collision energies, the integral cross sections in the glory energy range and the second virial coefficients. The transport properties are considered indirectly by using the potential energy values recently obtained by inversion of the transport coefficients. (author)

Gas chromatographic isolation technique for compound-specific radiocarbon analysis

International Nuclear Information System (INIS)

Uchida, M.; Kumamoto, Y.; Shibata, Y.; Yoneda, M.; Morita, M.; Kawamura, K.

2002-01-01

Full text: We present here a gas chromatographic isolation technique for the compound-specific radiocarbon analysis of biomarkers from the marine sediments. The biomarkers of fatty acids, hydrocarbon and sterols were isolated with enough amount for radiocarbon analysis using a preparative capillary gas chromatograph (PCGC) system. The PCGC systems used here is composed of an HP 6890 GC with FID, a cooled injection system (CIS, Gerstel, Germany), a zero-dead-volume effluent splitter, and a cryogenic preparative collection device (PFC, Gerstel). For AMS analysis, we need to separate and recover sufficient quantity of target individual compounds (>50 μgC). Yields of target compounds from C 14 n-alkanes to C 40 to C 30 n-alkanes and approximately that of 80% for higher molecular weights compounds more than C 30 n-alkanes. Compound specific radiocarbon analysis of organic compounds, as well as compound-specific stable isotope analysis, provide valuable information on the origins and carbon cycling in marine system. Above PCGC conditions, we applied compound-specific radiocarbon analysis to the marine sediments from western north Pacific, which showed the possibility of a useful chronology tool for estimating the age of sediment using organic matter in paleoceanographic study, in the area where enough amounts of planktonic foraminifera for radiocarbon analysis by accelerator mass spectrometry (AMS) are difficult to obtain due to dissolution of calcium carbonate. (author)

Development of conjugate methods with gas chromatography for inorganic compounds analysis

International Nuclear Information System (INIS)

Baccan, N.

1975-01-01

The application of gas chromatography combined with mass spectrometry or with nuclear methods for the analysis of inorganic compounds is studied. The advantages of the use of a gas chromatograph coupled with a quadrupole mass spectrometer or with a high resolution radiation detector, are discussed. We also studied the formation and solvent extraction of metal chelates; an aliquot of the organic phase was directly injected into the gas chromatograph and the eluted compounds were detected by mass spectrometry or, when radioactive, by nuclear methods. (author)

The gas-chromatographic and gas-chromatographic-mass-spectrometric identification of halogen-containing organic compounds

Science.gov (United States)

Gidaspov, B. V.; Zenkevich, I. G.; Rodin, A. A.

1989-09-01

The problem of identifying halogen-containing organic compounds in their gas-chromatographic and gas-chromatographic-mass-spectrometric (GC-MS) determination in different materials has been examined. Particular attention has been paid not to the complete characterisation of methods for carrying out this analysis but to the most important problem of increasing the selectivity at the stages of sampling, separation, and interpretation of the gas-chromatographic and GC-MS information. The bibliography contains 292 references.

Ion mobilities in Xe/Ne and other rare-gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Piscitelli, D; Pitchford, L C [Centre de Physique des Plasmas et Applications de Toulouse (CPAT), UMR 5002 CNRS, 118 route de Narbonne, 31062 Toulouse (France); Phelps, A V [JILA, University of Colorado and National Institute of Technology, Boulder, Colorado (United States); Urquijo, J de [Centro de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Post Office Box 48-3, 62251, 80309-0440 Cuernavaca, Moreno (Mexico); Basurto, E [Departmento de Ciencias Basicas, Universidad Autonoma Metropolitana, 02200 Mexico Distrito Federal (Mexico)

2003-10-01

The ion mobility or drift velocity data important for modeling glow discharges in rare gas mixtures are not generally available, nor are the ion-neutral scattering cross sections needed to calculate these data. In this paper we propose a set of cross sections for Xe{sup +} and Ne{sup +} collisions with Xe and Ne atoms. Ion mobilities at 300 K calculated using this cross section set in a Monte Carlo simulation are reported for reduced field strengths, E/N, up to 1500x10{sup -21} V m{sup 2}, in pure gases and in Xe/Ne mixtures containing 5% and 20% Xe/Ne, which are mixtures of interest for plasma display panels (PDPs). The calculated Xe{sup +} mobilities depend strongly on the mixture composition, but the Ne{sup +} mobility varies only slightly with increasing Xe in the mixture over the range studied here. The mobilities in pure gases compare well with available experimental values, and mobilities in gas mixtures at low E/N compare well with our recent measurements which will be published separately. Results from these calculations of ion mobilities are used to evaluate the predictions of Blanc's law and of the mixture rule proposed by Mason and Hahn [Phys. Rev. A 5, 438 (1972)] for determining the ion mobilities in mixtures from a knowledge of the mobilities in each of the pure gases. The mixture rule of Mason and Hahn is accurate to better than 10% at high field strengths over a wide range of conditions of interest for modeling PDPs. We conclude that a good estimate of ion mobilities at high E/N in Xe/Ne and other binary rare gas mixtures can be obtained using this mixture rule combined with known values of mobilities in parent gases and with the Langevin form for mobility of rare gas ions ion in other gases. This conclusion is supported by results in Ar/Ne mixtures which are also presented here.

Radiation-induced transformations of isolated organic molecules in solid rare gas matrices

International Nuclear Information System (INIS)

Feldman, V.I.

1998-01-01

Complete text of publication follows. The studies of radiation-chemical behaviour of isolated organic molecules in rigid inert media are of considerable interest for radiation chemistry and general structural chemistry. Previous efforts were limited to the ESR studies of radicals resulting from some small hydrocarbon molecules in frozen rare gas solutions. Recently, we developed an approach to the radiation chemistry of isolated organic molecules using classic matrix isolation procedure for sample preparation and a combination of ESR and IR spectroscopy for characterization of paramagnetic and diamagnetic species resulting form electron irradiation or organic molecules in solid rare gas matrices at 10-15 K. The results obtained reveal high efficiency of energy transfer from rare gas matrix to organic molecules. The total radiation-chemical yields of degradation of organic molecules in argon and xenon matrices were measured directly by IR spectroscopy. The studies of the effect of electron scavengers on the radiolysis of organic molecules in solid rare gases show that the main primary process is positive hole transfer from matrix to additive molecule. ESR spectra of a number of radical cations (alkanes, ethers, arenes) were first characterized in a low-disturbing environment. It was found that the electronic characteristics (IP, polarizability) of the matrix used had crucial effect on trapping and degradation of primary organic radical cations. Using matrices with various IP provides an unique possibility to examine the chemical meaning of excess energy resulting from exothermic positive hole transfer, that is, to follow the fate of excited cations in condensed phase

Bioprocesses for the Removal of Volatile Sulfur Compounds from Gas Streams

NARCIS (Netherlands)

Janssen, A.J.H.; bosch, van den P.L.M.; Leerdam, van R.C.; Graaff, de C.M.

2013-01-01

This chapter describes the biological removal of sulphur compounds from gas streams. First, an overview is given of the toxicity of sulphur compounds to animals and humans whereafter biological and industrial formation routes for (organic) sulphur compounds are given. Microbial degradation routes of

Robust flat bands in RCo5 (R=rare earth) compounds

OpenAIRE

Ochi, Masayuki; Arita, Ryotaro; Matsumoto, Munehisa; Kino, Hiori; Miyake, Takashi

2014-01-01

The mechanism to realize the peculiar flat bands generally existing in RCo5 (R=rare earth) compounds is clarified by analyzing the first-principles band structures and the tight-binding model. These flat bands are constructed from the localized eigenstates, the existence of which is guaranteed by the partial cancelation between the intersite hopping amplitudes among the Co-3d states at the Kagome sites and those between the Kagome and honeycomb sites. Their relative positions to other bands c...

μSR-studies of magnetic properties of metallic rare earth compounds

International Nuclear Information System (INIS)

Asch, L.; Kalvius, G.M.; Chappert, J.; Yaouanc, A.; Hartmann, O.; Karlsson, E.; Wappling, R.

1984-01-01

Positive muons can probe the magnitude and the time dependence of the magnetic field at interstitial sites in condensed matter. Thus the relatively new techniques of muons spin rotation and muon spin relaxation have become unique tools for studying magnetism. After a brief introduction into the experimental method we then discuss measurements on the elemental rare earth metals and on intermetallic compounds, in particular on the cubic Laves phases REAl 2

Method for preparing high cure temperature rare earth iron compound magnetic material

Science.gov (United States)

Huang, Yuhong; Wei, Qiang; Zheng, Haixing

2002-01-01

Insertion of light elements such as H,C, or N in the R.sub.2 Fe.sub.17 (R=rare earth metal) series has been found to modify the magnetic properties of these compounds, which thus become prospective candidates for high performance permanent magnets. The most spectacular changes are increases of the Curie temperature, T.sub.c, of the magnetization, M.sub.s, and of coercivity, H.sub.c, upon interstitial insertion. A preliminary product having a component R--Fe--C,N phase is produced by a chemical route. Rare earth metal and iron amides are synthesized followed by pyrolysis and sintering in an inert or reduced atmosphere, as a result of which, the R--Fe--C,N phases are formed. Fabrication of sintered rare earth iron nitride and carbonitride bulk magnet is impossible via conventional process due to the limitation of nitridation method.

Effects of gas-wall partitioning in Teflon tubing and instrumentation on time-resolved measurements of gas-phase organic compounds

Science.gov (United States)

Pagonis, Demetrios; Krechmer, Jordan E.; de Gouw, Joost; Jimenez, Jose L.; Ziemann, Paul J.

2017-12-01

Recent studies have demonstrated that organic compounds can partition from the gas phase to the walls in Teflon environmental chambers and that the process can be modeled as absorptive partitioning. Here these studies were extended to investigate gas-wall partitioning of organic compounds in Teflon tubing and inside a proton-transfer-reaction mass spectrometer (PTR-MS) used to monitor compound concentrations. Rapid partitioning of C8-C14 2-ketones and C11-C16 1-alkenes was observed for compounds with saturation concentrations (c∗) in the range of 3 × 104 to 1 × 107 µg m-3, causing delays in instrument response to step-function changes in the concentration of compounds being measured. These delays vary proportionally with tubing length and diameter and inversely with flow rate and c∗. The gas-wall partitioning process that occurs in tubing is similar to what occurs in a gas chromatography column, and the measured delay times (analogous to retention times) were accurately described using a linear chromatography model where the walls were treated as an equivalent absorbing mass that is consistent with values determined for Teflon environmental chambers. The effect of PTR-MS surfaces on delay times was also quantified and incorporated into the model. The model predicts delays of an hour or more for semivolatile compounds measured under commonly employed conditions. These results and the model can enable better quantitative design of sampling systems, in particular when fast response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. They may also allow estimation of c∗ values for unidentified organic compounds detected by mass spectrometry and could be employed to introduce differences in time series of compounds for use with factor analysis methods. Best practices are suggested for sampling organic compounds through Teflon tubing.

Rare earth metals, rare earth hydrides, and rare earth oxides as thin films

International Nuclear Information System (INIS)

Gasgnier, M.

1980-01-01

The review deals with pure rare earth materials such as rare earth metals, rare earth hydrides, and rare earth oxides as thin films. Several preparation techniques, control methods, and nature of possible contaminations of thin films are described. These films can now be produced in an extremely well-known state concerning chemical composition, structure and texture. Structural, electric, magnetic, and optical properties of thin films are studied and discussed in comparison with the bulk state. The greatest contamination of metallic rare earth thin films is caused by reaction with hydrogen or with water vapour. The compound with an f.c.c. structure is the dihydride LnH 2 (Ln = lanthanides). The oxygen contamination takes place after annealing at higher temperatures. Then there appears a compound with a b.c.c. structure which is the C-type sesquioxide C-Ln 2 O 3 . At room atmosphere dihydride light rare earth thin films are converted to hydroxide Ln(OH) 3 . For heavy rare earth thin films the oxinitride LnNsub(x)Osub(y) is observed. The LnO-type compound was never seen. The present review tries to set the stage anew for the investigations to be undertaken in the future especially through the new generations of electron microscopes

Characterization of Volatile Compounds from Ethnic Agave Alcoholic Beverages by Gas Chromatography-Mass Spectrometry

Directory of Open Access Journals (Sweden)

Pilar Escalante-Minakata

2008-01-01

Full Text Available Ethnic Agave alcoholic beverages such as raicilla, sisal, tequila, mezcal, bacanora, sotol and pulque have been analyzed by gas chromatography and headspace solid-phase microextraction- gas chromatography-mass spectrometry (HS-SPME-GC-MS. There were 105 compounds identified, eleven were classified as major compounds and the others were classified as minor compounds. Seventeen minor compounds could be used as authenticity markers since they were beverage specific. Cluster analysis (CA showed that Agave alcoholic beverages could be distinguished by multivariate analysis of major compounds; however, the analysis of minor compounds provided a better fingerprinting.

Device for measuring the tritium concentration in a measuring gas

International Nuclear Information System (INIS)

Koran, P.

1987-01-01

The measuring gas is brought into contact via a measuring gas path with a diaphragm permeable to water, which separates the measuring gas path from a counter gas path leading to a proportional detector. The measuring gas path and the counter gas path are in counterflow in the area of diaphragm. The preferably hose diaphragm consists of a well-known ion exchange material, which can be used for gas drying purposes, which is permeable to water and tritium compounds similar to water, but is impermeable to other gases and liquids contained in air, particularly rare gases. In this way, the tritium concentration can be measured with great rare gas suppression. (orig./HP) [de

Powder metallurgical processing of magnetostrictive materials based on rare earth-iron intermetallic compounds

International Nuclear Information System (INIS)

Malekzadeh, M.

1978-01-01

Procedures are described for fabrication of high density rare earth-iron magnetostrictive compounds by powder metallurgical techniques. The fabrication involves a sequence of steps which includes preparing the pre-alloyed compounds, pulverizing them into a fine powder, compacting in suitable sizes and shapes, and sintering. Samples prepared by these procedures are carefully characterized by scanning electron microscopy, x-ray diffraction, dilatometry, and magnetic measurements. Process steps are found to exert important influences upon densities, microstructure and magnetic properties attained after densification. Investigations on a number of these process steps, including milling time and medium, sintering, and magnetic powder alignment are described

Gas capture and rare gas retention by accreting planets in the solar nebula

International Nuclear Information System (INIS)

Mizuno, H.; Nakazawa, K.; Hayashi, C.

1982-01-01

In this paper, the physico-chemical effects of the nebula gas on the planets are reviewed from a standpoint of planetary formation in the solar nebula. The proto-Earth growing in the nebula was surrounded by a primordial atmosphere with a solar chemical composition and solar isotopic composition. When the mass of the proto-Earth was greater than 0.3 times the present Earth mass, the surface was molten because of the blanketing effect of the atmosphere. Therefore, the primordial rare gases contained in the primordial atmosphere dissolved into the molten Earth material without fractionation and in particular the dissolved neon is expected to be conserved in the present Earth material. Hence, if dissolved neon with a solar isotopic ratio is discovered in the Earth material, it will indicate that the Earth was formed in the nebula and that the dissolved rare gases were one of the sources which degassed to form the present atmosphere. (author)

A study on rare gas - oxygen reactions excited by low temperature plasma

Energy Technology Data Exchange (ETDEWEB)

Ogawa, Hiroaki; Kiuchi, Kiyoshi; Saburi, Tei; Fukaya, Kiyoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

2001-03-01

The concentration of radioactive rare gases like Xe and Kr in nuclear fuels on PWRs and BWRs increases promptly with dependent on the burn-up ratio. These gases are affect to the long performance of nuclear fuel elements due to accumulate in gap between cladding and fuel, because it has the low thermal conductivity. It is also required to develop the practical means to correct these gases including in the off-gas in nuclear plants for inhibiting the environmental pollution. On the present study, we carried out the fundamental research to evaluate the chemical reactivity of these gases under heavy irradiation. We proposed the new excitation mechanism of these gases by expecting the formation of low energy plasma under irradiation. The chemical reactivity on rare gas-oxygen system was examined by using the low energy plasma driven reaction apparatus installed the RF excitation source. The density of electrons and lower pressure limit for the RF excitation was depended on the ionization energy of each gas. It is clarified that Xe is easy to form gaseous oxide due to the high excitation efficiency in low energy plasma. (author)

Rare earth germanates

International Nuclear Information System (INIS)

Bondar', I.A.; Vinogradova, N.V.; Dem'yanets, L.N.

1983-01-01

Rare earth germanates attract close attention both as an independent class of compounds and analogues of a widely spread class of natural and synthetic minerals. The methods of rare earth germanate synthesis (solid-phase, hydrothermal) are considered. Systems on the basis of germanium and rare earth oxides, phase diagrams, phase transformations are studied. Using different chemical analysese the processes of rare earth germanate formation are investigated. IR spectra of alkali and rare earth metal germanates are presented, their comparative analysis being carried out. Crystal structures of the compounds, lattice parameters are studied. Fields of possible application of rare earth germanates are shown

Atomic absorption determination of iron and copper impurities in rare earth compounds

International Nuclear Information System (INIS)

Zelyukova, Yu.V.; Kravchenko, J.B.; Kucher, A.A.

1978-01-01

An extraction atomic absorption method for the determination of copper and iron impurities in rare earth compounds has been developed. The extraction separation of determined elements as hydroxy quinolinates with isobuthyl alcohol was used. It increased the sensitivity of these element determination and excluded the effect of the analysed sample. Cu, Te, Zn, Bi, Sn, In, Ga, Tl and the some other elements can be determined at pH 2.0-3.0 but rare earths are remained in an aqueous phase. The condition of the flame combustion does not change during the introduction of isobutyl extract but the sensitivity of the determination of the elements increased 2-3 times. The limit of Fe determination is 0.01 mg/ml and the limit of Cu determination is 0.014 mg/ml

Non-additive non-interacting kinetic energy of rare gas dimers

Science.gov (United States)

Jiang, Kaili; Nafziger, Jonathan; Wasserman, Adam

2018-03-01

Approximations of the non-additive non-interacting kinetic energy (NAKE) as an explicit functional of the density are the basis of several electronic structure methods that provide improved computational efficiency over standard Kohn-Sham calculations. However, within most fragment-based formalisms, there is no unique exact NAKE, making it difficult to develop general, robust approximations for it. When adjustments are made to the embedding formalisms to guarantee uniqueness, approximate functionals may be more meaningfully compared to the exact unique NAKE. We use numerically accurate inversions to study the exact NAKE of several rare-gas dimers within partition density functional theory, a method that provides the uniqueness for the exact NAKE. We find that the NAKE decreases nearly exponentially with atomic separation for the rare-gas dimers. We compute the logarithmic derivative of the NAKE with respect to the bond length for our numerically accurate inversions as well as for several approximate NAKE functionals. We show that standard approximate NAKE functionals do not reproduce the correct behavior for this logarithmic derivative and propose two new NAKE functionals that do. The first of these is based on a re-parametrization of a conjoint Perdew-Burke-Ernzerhof (PBE) functional. The second is a simple, physically motivated non-decomposable NAKE functional that matches the asymptotic decay constant without fitting.

Pressure dependence of magnetic ordering temperatures of rare earth-Sn/sub 3/ compounds

Energy Technology Data Exchange (ETDEWEB)

Foner, S [Massachusetts Inst. of Tech., Cambridge (USA). Francis Bitter National Magnet Lab.

1979-12-01

Measurements of the hydrostatic pressure dependence of the Neel temperatures, Tsub(N), are reported for PrSn/sub 3/, NdSn/sub 3/, GdSn/sub 3/ and CeIn/sub 3/. Tsub(N) is found to increase with applied pressure for PrSn/sub 3/ and NdSn/sub 3/, whereas Tsub(N) is pressure independent within experimental error for GdSn/sub 3/ and CeIn/sub 3/. Slightly Sn-deficient RESn/sub 3/ (RE = rare earth) compounds are found consistently to be weakly ferromagnetic. The physical properties of the RESn/sub 3/ compounds exhibit analogies with the corresponding properties of dilute superconducting (LaRE)Sn/sub 3/ alloys. The high pressure data for PrSn/sub 3/ and CeIn/sub 3/ are qualitatively consistent with a 'Kondo necklace' model for magnetically ordered RE compounds with unstable 4f shells.

Pressure dependence of magnetic ordering temperatures of rare earth - Sn/sub 3/ compounds

Energy Technology Data Exchange (ETDEWEB)

DeLong, L E [Virginia Univ., Charlottesville (USA). Dept. of Physics; Guertin, R P; Foner, S

1979-12-01

Measurements of the hydrostatic pressure dependence of the Neel temperatures, Tsub(N), are reported for PrSn/sub 3/, NdSn/sub 3/, GdSn/sub 3/ and CeIn/sub 3/. Tsub(N) is found to increase with applied pressure for PrSn/sub 3/ and NdSn/sub 3/, whereas Tsub(N) is pressure independent within experimental error for GdSn/sub 3/ and CeIn/sub 3/. Slightly Sn-deficient RESn/sub 3/ (RE=rare earth) compounds are found consistently to be weakly ferromagnetic. The physical properties of the RESn/sub 3/ compounds exhibit analogies with the corresponding properties of dilute superconducting (LaRE)Sn/sub 3/ alloys. The high pressure data for PrSn/sub 3/ and CeIn/sub 3/ are qualitatively consistent with a 'Kondo necklace' model for magnetically ordered RE compounds with unstable 4f shells.

A new method for determining gas phase heat of formation of aromatic energetic compounds

Energy Technology Data Exchange (ETDEWEB)

Keshavarz, Mohammad H. [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran); Tehrani, Masoud K. [Department of Physics, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran)

2007-04-15

A new correlation is introduced for desk calculation of gas phase heat of formation of aromatic energetic compounds that contain the elements of carbon, hydrogen, nitrogen and oxygen. Predicted gas phase heats of formation for 26 energetic compounds have a root mean square of deviation from experiment of 20.67 kJ/mol, which is in good agreement with respect to measured values of oxygen-lean and oxygen-rich aromatic energetic compounds. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

Removal of organic compounds from shale gas flowback water

NARCIS (Netherlands)

Butkovskyi, Andrii; Faber, Ann-Hélène; Wang, Yue; Grolle, Katja; Hofman-Caris, Roberta; Bruning, Harry; Van Wezel, Annemarie P.; Rijnaarts, Huub H M

2018-01-01

Ozonation, sorption to granular activated carbon and aerobic degradation were compared as potential treatment methods for removal of dissolved organic carbon (DOC) fractions and selected organic compounds from shale gas flowback water after pre-treatment in dissolved air flotation unit. Flowback

Momentum distributions of selected rare-gas atoms probed by intense femtosecond laser pulses

DEFF Research Database (Denmark)

Abu-Samha, Mahmoud; Madsen, Lars Bojer

2011-01-01

We provide a direct comparison between numerical and experimental (Rudenko et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 L407) photoelectron momentum distributions in strong-field ionization of selected rare-gas atoms (He, Ne and Ar), probed by femtosecond linearly polarized laser pulses. The cal......We provide a direct comparison between numerical and experimental (Rudenko et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 L407) photoelectron momentum distributions in strong-field ionization of selected rare-gas atoms (He, Ne and Ar), probed by femtosecond linearly polarized laser pulses....... The calculations are performed by solving the time-dependent Schrödinger equation within the single-active-electron approximation, and focal-volume effects are taken into account by appropriately averaging the results. The resulting momentum distributions are in quantitative agreement with the experimental...

A general theory for radioactive processes in rare earth compounds

International Nuclear Information System (INIS)

Acevedo, R.; Meruane, T.

1998-01-01

The formal theory of radiative processes in centrosymmetric coordination compounds of the Ln X 3+ is a trivalent lanthanide ion and X -1 =Cl -1 , Br -1 ) is put forward based on a symmetry vibronic crystal field-ligand polarisation model. This research considers a truncated basis set for the intermediate states of the central metal ion and have derived general master equations to account for both the overall observed spectral intensities and the measured relative vibronic intensity distributions for parity forbidden but vibronically allowed electronic transitions. In addition, a procedure which includes the closure approximation over the intermediate electronic states is included in order to estimate quantitative crystal field contribution to the total transition dipole moments of various and selected electronic transitions. This formalism is both general and flexible and it may be employed in any electronic excitations involving f N type configurations for the rare earths in centrosymmetric co-ordination compounds in cubic environments and also in doped host crystals belonging to the space group Fm 3m. (author)

Term value/band-gap energy correlations for solid rare gas excitons

International Nuclear Information System (INIS)

Anon.

1987-01-01

Term value/ionization energy correlation algorithms have proven to be of considerable utility in the assignment of atomic and molecular Rydberg states. Many examples of empirical term value/ionization energy correlations are known for diverse classes of atoms and molecules. The purpose of this paper is to demonstrate that similar correlations are also obtained for excitons in rare gas solids

Rare earths: preparation of spectro chemically pure standards, study of their carbonates and synthesis of a new compound series - the peroxy carbonates

International Nuclear Information System (INIS)

Queiroz, Carlos Alberto da Silva

1996-05-01

In this work the following studies are concerned: I) preparation of lanthanum, cerium, praseodymium, neodymium and samarium oxides for use as spectro chemically pure standards; II) behavior of the rare earth (La, Ce, Pr, Nd, Sm) carbonates soluble in ammonium carbonate and mixture of ammonium carbonate/ammonium hydroxide, and III) synthesis and characterization of rare earth peroxy carbonates - a new series of compounds. Data for the synthesis and characterization of the rare earths peroxy carbonates described for the first time in this work are presented and discussed. With the aid of thermal analysis (TG-DTG) the thermal stability and the stoichiometric composition for new compounds were established and a mechanism of thermal decomposition was proposed. The peroxy carbonate was prepared by the addition of hydrogen peroxyde to the complexed soluble rare earths carbonates. These studies included also the determinations of active oxygen, the total rare earth oxide by gravimetry and complexometry and the C, H and N contents by microanalysis. The new compounds were also investigated by infrared spectroscopy. (author)

Ball-milled nano-colloids of rare-earth compounds as liquid gain media for capillary optical amplifiers and lasers

Science.gov (United States)

Patel, Darayas; Blockmon, Avery; Ochieng, Vanesa; Lewis, Ashley; Wright, Donald M.; Lewis, Danielle; Valentine, Rueben; Valentine, Maucus; Wesley, Dennis; Sarkisov, Sergey S.; Darwish, Abdalla M.; Sarkisov, Avedik S.

2017-02-01

Nano-colloids and nano-crystals doped with ions of rare-earth elements have recently attracted a lot of attention in the scientific community due to their potential applications as biomarkers, fluorescent inks, gain media for lasers and optical amplifiers. Many rare-earth doped materials of different compositions, shapes and size distribution have been prepared by different synthetic methods, such as chemical vapor deposition, sol-gel process, micro-emulsion techniques, gas phase condensation methods, hydrothermal methods and laser ablation. In this paper micro-crystalline powder of the rare-earthdoped compound NaYF4:Yb3+, Er3+ was synthesized using a simple wet process followed by baking in open air. Under 980 nm diode laser excitation strong fluorescence in the 100 nm band around 1531-nm peak was observed from the synthesized micro-powder. The micro-powder was pulverized using a ball mill and prepared in the form of nano-colloids in different liquids. The particle size of the obtained nano-colloids was measured using an atomic force microscope and a dynamic light scatterometer. The size of the nano-particles was close to 100-nm. The nano-colloids were utilized as a filling media in capillary optical amplifiers and lasers. The gain of a 7-cm-long capillary optical amplifier (150-micron inner diameter) was as high as 6 dB at 200 mW pump power. The synthesized nano-colloids and the active optical components using them can be potentially used in optical communication, signal processing, optical computing, and other applications.

Contribution to the study of magnetic properties of rare-earth iron intermetallic compounds

International Nuclear Information System (INIS)

Morariu, M.

1976-01-01

The intermetallic binary compounds Ysub(x)Fesub(y)(YFe 2 ,YFe 3 ,Y 6 Fe 23 ,Y 2 Fe 17 ), RFe 2 (R=Gd,Tb,Dy,Ho,Er and Tm) and the intermetallic pseudobinary compounds (Gdsub(x)Ysub(1-x))Fe 2 and Dy(Fesub(x)Nisub(1-x)) 3 were studied, using magnetic measurements and Moessbauer spectroscopy, in order to obtain information on their magnetic behaviour. The different models which describe magnetic interactions in rare-earths with 3d transition element compounds are reviewed. The magnetic hyperfine field Hsub(n) at the Fe 57 nucleus, measured by Moessbauer spectroscopy, depends on the atom position in the lattice, being sensitive to magnetic interactions with neighbouring atoms. The mean value of the magnetic hyperfine field, average Hsub(n) is proportional to the mean magnetic moment of the iron atom: average Hsub(n)/average μsub(Fe) approximately 150 kOe. The comparative study of the temperature dependence of average Hsub(n) and average μsub(Fe) values shows that this relation is valid for the whole range of magnetic ordering (T>Tsub(c)). The mean magnetic hyperfine fields at the Fe 57 nucleus in RFe 2 compounds depend on the rare-earth partner and vary approximative linearly with the Gennes factor. The spin reorientation diagram for the (Gdsub(x)Ysub(1-x))Fe 2 system is obtained. All results on Moessbauer spectroscopy are in good agreement with the magnetic measurements. The magnetic behaviour of iron atoms is justified using a model in which the most electrons are in a narrow band, so they could be considered localized, and the magnetic interactions between these atoms take place through a fraction (<5%) of 3d itinerant electrons. (author)

Spectroscopic and Kinetic Measurements of Alkali Atom-Rare Gas Excimers

Science.gov (United States)

2009-11-04

vapors – Exciplex molecules absorb over much greater bandwidth • Control of inherent high optical gain to minimize ASE and optimize laser oscillation... Exciplex assisted diode Pumped Alkali Laser (XPAL) • Education of a future generation of laser scientists VG09-227-2 Physical Sciences Inc. Novel Approach...This new laser exploits the optical properties of weakly-bound alkali/rare-gas exciplexes for pumping the 2P1/2, 3/2 alkali atomic excited states 4

Rare gas systematics: Formation of the atmosphere, evolution and structure of the Earth's mantle

International Nuclear Information System (INIS)

Allegre, C.J.; Staudacher, T.; Sarda, P.; Paris-6 Univ., 75; Paris-7 Univ., 75

1987-01-01

To explain the rare gas content and isotopic composition measured in modern terrestrial materials we explore in this paper an Earth model based on four reservoirs: atmosphere, continental crust, upper mantle and lower mantle. This exploration employs three tools: mass balance equations, the concept of mean age of outgassing and the systematic use of all of the rare gases involving both absolute amount and isotopic composition. The results obtained are as follows: half of the Earth's mantle is 99% outgassed. Outgassing occurred in an early very intense stage within the first 50 Ma of Earth history and a slow continuous stage which continues to the present day. The mean age of the atmosphere is 4.4 Ga. Our model with four main reservoirs explains quantitatively both isotopic and chemical ratios, assuming that He migrates from the lower to the upper mantle whereas the heavy rare gases did not. Noble gas fluxes for He, Ar and Xe from different reservoirs have been estimated. The results constrain the K content in the earth to 278 ppm. Several geodynamic consequences are discussed. (orig.)

Gas chromatography/sniffing port analysis of aroma compounds released under mouth conditions

NARCIS (Netherlands)

Ruth, van S.M.; Roozen, J.P.

2000-01-01

The release of aroma compounds from rehydrated French beans in an artificial mouth system and in the mouths of 12 assessors was studied by gas chromatography combined with flame ionisation detection and sniffing port detection. In an artificial mouth system, volatile compounds were isolated under

Compounds of addition between yttrium and rare-earths (III) nitrates and the N,N,N'N'-tetramethyladipamide (TMAA)

International Nuclear Information System (INIS)

Lima, W.N. de.

1974-01-01

The synthesis of addition compounds between hydrated rare-earths and yttrium nitrates with the diamine N,N,N',N'-tetramethyladipamide (TMAA) in ethanol, is described. The compounds were characterized by elemental analisys, infrared, Raman, visible and near infrared spectra, molar conductance and molecular weight measurements, conductometric titrations and X-ray powder patterns. (Author) [pt

Novel compound heterozygous mutations in SERPINH1 cause rare autosomal recessive osteogenesis imperfecta type X.

Science.gov (United States)

Song, Y; Zhao, D; Xu, X; Lv, F; Li, L; Jiang, Y; Wang, O; Xia, W; Xing, X; Li, M

2018-03-09

We identified novel compound heterozygous mutations in SERPINH1 in a Chinese boy suffering from recurrent fractures, femoral deformities, and growth retardation, which resulted in extremely rare autosomal recessive OI type X. Long-term treatment of BPs was effective in increasing BMD Z-score, reducing fracture incidence and reshaping vertebrae compression. Osteogenesis imperfecta (OI) is a heritable bone disorder characterized by low bone mineral density, recurrent fractures, and progressive bone deformities. Mutation in serpin peptidase inhibitor clade H, member 1 (SERPINH1), which encodes heat shock protein 47 (HSP47), leads to rare autosomal recessive OI type X. We aimed to detect the phenotype and the pathogenic mutation of OI type X in a boy from a non-consanguineous Chinese family. We investigated the pathogenic mutations and analyzed their relationship with the phenotype in the patient using next-generation sequencing (NGS) and Sanger sequencing. Moreover, the efficacy of long-term bisphosphonate treatment in this patient was evaluated. The patient suffered from multiple fractures, low bone mass, and bone deformities in the femur, without dentinogenesis imperfecta or hearing loss. Compound heterozygous variants were found in SERPINH1 as follows: c.149 T>G in exon 2 and c.1214G>A in exon 5. His parents were heterozygous carriers of each of these mutations, respectively. Bisphosphonates could be helpful in increasing BMD Z-score, reducing bone fracture risk and reshaping the compressed vertebral bodies of this patient. We reported novel compound heterozygous mutations in SERPINH1 in a Chinese OI patient for the first time, which expanded the spectrum of phenotype and genotype of extremely rare OI type X.

NMR study of electron spin density distribution in rare-earth intermetallic compounds with iron and cobalt

International Nuclear Information System (INIS)

Vasil'kovskij, V.A.; Gorlenko, A.A.; Kupriyanov, A.K.; Ostrovskij, V.F.

1988-01-01

It is shown that in intermettalic compounds local fields in rare earth (RE) element nuclei directed by 3d-sublattice atoms depend on 3d-atom type but they practically do not depend on the value of its magnetic moment and the compound stoichiometry. The results are explained in the assumption concerning the presence of a system of collectivized electrons, their spin polarization determining the field in RE nuclei and contributing to 3d-atom magnetic moment

Some aspects of the analysis of labelled organic compounds by gas radiochromatography

International Nuclear Information System (INIS)

Heise, K.H.; Gorner, Ch.; Bubner, M.

1977-01-01

The first experience with the analysis of tritium-and 14 C-labelled compounds by gas radiochromatography are reported. The instrumental arrangement is described where, on the chromatograph output, the radioactive compounds are burnt, and the radioactive gases are measured by scintillation detectors in a coincidence circuit

Multiplicity dependence of matrix-induced frequency shifts for atomic transitions of the group 12 metals in rare gas solids

International Nuclear Information System (INIS)

Laursen, S.L.; Cartland, H.E.

1991-01-01

Atomic resonances of the group 12 metal atoms, Hg, Cd, and Zn, undergo frequency shifts from the gas phase atomic line when trapped in rare gas matrices of Ar, Kr, and Xe at 12 K. As expected, the shifts are approximately linear in polarizability of the rare gas, but the slope of this line depends on whether the transition in question is 1 P 1 left-arrow 1 S 0 or 3 P 1 left-arrow 1 S 0 . Thus the matrix-induced frequency shift is dependent on the singlet or triplet nature of the excited state as well as on the matrix material. This dependence on multiplicity is discussed in terms of interactions between the excited-state atomic orbitals and the matrix. The results are compared to matrix studies of other metals and to related gas-phase work on diatomic van der Waals complexes of group 12 metals with rare gases

Gas-Solid Reaction Properties of Fluorine Compounds and Solid Adsorbents for Off-Gas Treatment from Semiconductor Facility

Directory of Open Access Journals (Sweden)

Shinji Yasui

2012-01-01

Full Text Available We have been developing a new dry-type off-gas treatment system for recycling fluorine from perfluoro compounds present in off-gases from the semiconductor industry. The feature of this system is to adsorb the fluorine compounds in the exhaust gases from the decomposition furnace by using two types of solid adsorbents: the calcium carbonate in the upper layer adsorbs HF and converts it to CaF2, and the sodium bicarbonate in the lower layer adsorbs HF and SiF4 and converts them to Na2SiF6. This paper describes the fluorine compound adsorption properties of both the solid adsorbents—calcium carbonate and the sodium compound—for the optimal design of the fixation furnace. An analysis of the gas-solid reaction rate was performed from the experimental results of the breakthrough curve by using a fixed-bed reaction model, and the reaction rate constants and adsorption capacity were obtained for achieving an optimal process design.

Effect of crystalline electric fields and long-range magnetic order on superconductivity in rare earth alloys and compounds

International Nuclear Information System (INIS)

McCallum, R.W.

1977-01-01

The behavior of rare earth ions in a superconducting matrix has been studied in two distinct regimes. First, the effects of crystal field splitting of the 4f levels of a magnetic rare earth ion in the alloy system (LaPr)Sn 3 were investigated in the limit of low Pr 3+ concentration. In this system the rare earth impurity ions occupy random La sites in the crystal lattice. Second, the interaction of long-range magnetic order and superconductivity was explored in the ternary rare earth molybdenum chalcogenide systems. In these compounds the rare earth ions occupy periodic lattice sites in contrast to the random distribution of magnetic ions in dilute impurity alloy systems such as (LaPr)Sn 3

Theory of diffusion of rare gases in solids

International Nuclear Information System (INIS)

Lidiard, A.B.

1980-01-01

This paper reviews the basic theoretical description of the solubility and diffusion of rare gas atoms in crystalline solids. It then shows how this description can be used in conjunction with atomistic calculations to understand experimental observations. This understanding is particularly good for ionic compounds and a brief summary of the present situation is given for three main classes, namely those with the rocksalt structure, the fluorite structure and the caesium chloride structure. (author)

[Target and non-target screening of volatile organic compounds in industrial exhaust gas using thermal desorption-gas chromatography-mass spectrometry].

Science.gov (United States)

Ma, Huilian; Jin, Jing; Li, Yun; Chen, Jiping

2017-10-08

A method of comprehensive screening of the target and non-target volatile organic compounds (VOCs) in industrial exhaust gas using thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS) has been developed. In this paper, two types of solid phase adsorption column were compared, and the Tenex SS TD Tube was selected. The analytes were enriched into the adsorption tube by constant flow sampling, and detected by TD-GC-MS in full scan mode. Target compounds were quantified by internal standard method, and the quantities of non-target compounds were calculated by response coefficient of toluene. The method detection limits (MDLs) for the 24 VOCs were 1.06 to 5.44 ng, and MDLs could also be expressed as 0.004 to 0.018 mg/m 3 assuming that the sampling volume was 300 mL. The average recoveries were in the range of 78.4% to 89.4% with the relative standard deviations (RSDs) of 3.9% to 14.4% ( n =7). The established analytical method was applied for the comprehensive screening of VOCs in a waste incineration power plant in Dalian city. Twenty-nine VOCs were identified. In these compounds, only five VOCs were the target compounds set in advance, which accounted for 26.7% of the total VOCs identified. Therefore, this study further proved the importance of screening non-target compounds in the analysis of VOCs in industrial exhaust gas, and has certain reference significance for the complete determination of VOCs distribution.

Collisional energy dependence of molecular ionization by metastable rare gas atoms

International Nuclear Information System (INIS)

Martin, R.M.; Parr, T.P.

1979-01-01

The collisional energy dependence of several molecular total ionization cross sections by metastable rare gas atoms was studied over the thermal energy region using the crossed molecular beam time-of-flight method. Results are reported for the collision systems He, Ne, and Ar ionizing the geometric isomers cis- and trans-dichloroethylene and ortho- and para-dichlorobenzene. The He ionization cross sections oscillate about an energy dependence of E/sup -1/2/ over the energy range 0.004--1.0 eV, and the Ar*+para-dichlorobenzene cross section oscillates about an energy dependence of E/sup -2/5/ over the energy range 0.011--0.64 eV. The remaining systems are characterized by ''bent'' E/sup -m/ dependences with m values of 0.56--0.70 at low energies changing to 0.07--0.29 at higher energies. Comparison with the slopes of the He* systems and the Ar*+para-dichlorobenzene system shows that the ''bent'' and ''oscillating'' energy dependences are similar except for the form of the cross section functions at the lowest energies. No systematic differences are found between the cross section energy dependences for ionization of different geometric isomers or for ionization by the different metastable rare gas atoms

Calculations of the magnetic properties of R2M14B intermetallic compounds (R=rare earth, M=Fe, Co)

International Nuclear Information System (INIS)

Ito, Masaaki; Yano, Masao; Dempsey, Nora M.; Givord, Dominique

2016-01-01

The hard magnetic properties of “R–M–B” (R=rare earth, M=mainly Fe) magnets derive from the specific intrinsic magnetic properties encountered in Fe-rich R 2 M 14 B compounds. Exchange interactions are dominated by the 3d elements, Fe and Co, and may be modeled at the macroscopic scale with good accuracy. Based on classical formulae that relate the anisotropy coefficients to the crystalline electric field parameters and exchange interactions, a simple numerical approach is used to derive the temperature dependence of anisotropy in various R 2 Fe 14 B compounds (R=Pr, Nd, Dy). Remarkably, a unique set of crystal field parameters give fair agreement with the experimentally measured properties of all compounds. This implies reciprocally that the properties of compounds that incorporate a mixture of different rare-earth elements may be predicted accurately. This is of special interest for material optimization that often involves the partial replacement of Nd with another R element and also the substitution of Co for Fe. - Highlights: • Anisotropy constants derived from CEF parameters of R 2 M 14 B compounds (M=Fe, Co). • Anisotropy constants of all R 2 Fe 14 B compounds using unique set of CEF parameters. • Moment non-collinearity in magnetization processes under B app along hard axis.

Ectopic Compound Odontoma in the Buccal Mucosa: Report of a Rare Case

Directory of Open Access Journals (Sweden)

Aparna Venigalla

2015-01-01

Full Text Available Eruption of tooth into extraosseous locations is an extremely rare condition. We report a case of a six-year-old girl child with tooth-like structure erupting from the right buccal mucosa. Clinical, radiographic, and histopathologic examination suggested the diagnosis of compound odontoma. Very few cases have been reported so far, where tooth has been located completely in the soft tissue and a variety of names have been used for that condition. A brief review of the literature and the ambiguity in naming the situation is discussed.

Cubic rare-earth compounds: variants of the three-state Potts model

International Nuclear Information System (INIS)

Kim, D.; Levy, P.M.; Uffer, L.F.

1975-01-01

In appropriate cubic fields, rare-earth ions have sixfold degenerate ground states. When the angular momentum of the rare earth is large, the six levels are characterized by states that are directed along the cube edges. Within these states the angular momentum operators J/sub x/, J/sub y/, and J/sub z/ have particularly simple matrix representations. The projection of an isotropic pair coupling between the rare earths onto these sixfold degenerate states leads to an interaction Hamiltonian H = -I Σ/sub (ij)/ sigma/sub i/sigma/sub j/delta/sub l/sub i/sub l/sub j//, where sigma takes on the values +-1 and l the values x, y, and z. This interaction is a variant of the three-state Potts model. Magnetic and quadrupolar anisotropy field terms are added to the Hamiltonian and the symmetry properties of the phase diagram associated with this model are determined. For nonzero quadrupolar anisotropy fields, the model is shown to have the thermodynamic behavior of an Ising model. However, for zero fields a new symmetry appears and in the mean-field approximation the model has tricritical-like exponents. This simple model is able to account for the large specific-heat critical exponent α' = 1 / 2 which has been observed for holmium antimonide in zero external fields. To the extent that the mean-field approximation is an accurate guide, we predict there are many cubic rare-earth compounds which exhibit tricritical-like behavior in zero field. In addition, for pure quadrupole coupling between rare earths in the sixfold degenerate states, the interaction Hamiltonian is exactly the three-state Potts model. In the mean-field approximation this system has a first-order phase transition. However, a small quadrupolar anisotropy field is sufficient to drive the system to a wing critical point. The specific heat has a critical exponent of α = 2 / 3 or 1 depending on the path taken to approach this critical point. (auth)

Device for separating and concentrating rare gases containing krypton gas

Energy Technology Data Exchange (ETDEWEB)

Kimura, S; Sugimoto, K

1975-06-11

In orer to highly concentrate krypton by means of adsorption and desorption of activated carbon, in a device for continuously separating and concentrating rare gases containing krypton gas by means of adsorbing and desorbing operation of activated carbon, the device includes adsorbers arranged in parallel and more than two stages of adsorbers arranged in series with the first mentioned adsorbers with the amount of activated carbon filled successively reduced, and a cooling mechanism for cooling the adsorbers when adsorbed and a heating mechanism for heating the adsorbers when desorbed.

Medium-induced change of the optical response of metal clusters in rare-gas matrices

Science.gov (United States)

Xuan, Fengyuan; Guet, Claude

2017-10-01

Interaction with the surrounding medium modifies the optical response of embedded metal clusters. For clusters from about ten to a few hundreds of silver atoms, embedded in rare-gas matrices, we study the environment effect within the matrix random phase approximation with exact exchange (RPAE) quantum approach, which has proved successful for free silver clusters. The polarizable surrounding medium screens the residual two-body RPAE interaction, adds a polarization term to the one-body potential, and shifts the vacuum energy of the active delocalized valence electrons. Within this model, we calculate the dipole oscillator strength distribution for Ag clusters embedded in helium droplets, neon, argon, krypton, and xenon matrices. The main contribution to the dipole surface plasmon red shift originates from the rare-gas polarization screening of the two-body interaction. The large size limit of the dipole surface plasmon agrees well with the classical prediction.

Separation of rare earths by means of acid organophosphorous compounds. Structure-activity study by molecular simulation

International Nuclear Information System (INIS)

Fourcot, Fabrice

1991-01-01

The increasing number of industrial applications of rare earths has resulted in an increased demand in purified rare earths whereas their separation is difficult due to their high chemical similarity. The search for a better separation leads to the search for more selective extraction agents. Organophosphorous compounds appear to be the most selective. As the search for new extraction agents resulting in high lanthanide extraction efficiency or in a better selectivity between rare earths has been mainly empiric, this research thesis aims at developing a molecular simulation method which allows the number of molecules to be synthesized and tested to be reduced. After having briefly recalled general knowledge on liquid-liquid extraction and on rare earths, and described calculation methods (quantum methods, methods based on molecular mechanics, conformational analysis, methods of charge calculation), the author proposes a critical review of literature related to rare earth liquid-liquid extraction by organophosphorous acids with respect to the used extraction agent. The molecular modelling issue is then addressed by describing ways to apply it to extraction problems, faced problems, brought solutions and obtained results

[Compound preservative and cyclamat determinated by gas chromatography].

Science.gov (United States)

Xin, Ruozhu; Ding, Mei; Zheng, Xianguang; Li, Yajuan

2008-07-01

To establish a gas chromatography method for synchronous determination of six preservatives and cyclamat in cake and pastry. The pre-treatment of complicated compound was finished by dialysis cleaning technology. The interference of the complicated foundation body in the cake and pastry was removed by the best dialysis condition: 2 g/L NaOH of dialysis fluid was dialyzed at the temperature of 25 degrees C for 24h, and the six preservatives and cyclamat (sorbic acid, benzoic acid, dehydroacetic acid, ethylparabenum, propylparabenum, butylparabenun and sodium cyclamate) were synchronously seperated by 60-80 mesh Chromosorb WAW DMCS glass packing column of intercoated 5% DEGS + 1% H3 PO4. The seven components in the sample had a good lining relation at the concentration 100 -5000 mg/L when the external standard method was used, and their correlation coefficients were 0.9993-0.9998, and their average recovery rates were 87.5%-101.9%, and their relative standard deviations were 0.64%-3.3%, and detection limits were 1.1-8.8 mg/L. This method could be used to quickly analyse the compound preservatives of the large batch cake and pastry through the common gas chromatography and packed column and this method was simple, accurate and quick.

Rational Design of Glycomimetic Compounds Targeting the Saccharomyces cerevisiae Transglycosylase Gas2.

Science.gov (United States)

Delso, Ignacio; Valero-González, Jessika; Marca, Eduardo; Tejero, Tomás; Hurtado-Guerrero, Ramón; Merino, Pedro

2016-02-01

The transglycosylase Saccharomyces cerevisiae Gas2 (ScGas2) belongs to a large family of enzymes that are key players in yeast cell wall remodeling. Despite its biologic importance, no studies on the synthesis of substrate-based compounds as potential inhibitors have been reported. We have synthesized a series of docking-guided glycomimetics that were evaluated by fluorescence spectroscopy and saturation-transfer difference (STD) NMR experiments, revealing that a minimum of three glucose units linked via a β-(1,3) linkage are required for achieving molecular recognition at the binding donor site. The binding mode of our compounds is further supported by STD-NMR experiments using the active site-mutants Y107Q and Y244Q. Our results are important for both understanding of ScGas2-substrate interactions and setting up the basis for future design of glycomimetics as new antifungal agents. © 2015 John Wiley & Sons A/S.

Magnesium Potassium Phosphate Compound for Immobilization of Radioactive Waste Containing Actinide and Rare Earth Elements

Directory of Open Access Journals (Sweden)

Sergey E. Vinokurov

2018-06-01

Full Text Available The problem of effective immobilization of liquid radioactive waste (LRW is key to the successful development of nuclear energy. The possibility of using the magnesium potassium phosphate (MKP compound for LRW immobilization on the example of nitric acid solutions containing actinides and rare earth elements (REE, including high level waste (HLW surrogate solution, is considered in the research work. Under the study of phase composition and structure of the MKP compounds that is obtained by the XRD and SEM methods, it was established that the compounds are composed of crystalline phases—analogues of natural phosphate minerals (struvite, metaankoleite. The hydrolytic stability of the compounds was determined according to the semi-dynamic test GOST R 52126-2003. Low leaching rates of radionuclides from the compound are established, including a differential leaching rate of 239Pu and 241Am—3.5 × 10−7 and 5.3 × 10−7 g/(cm2∙day. As a result of the research work, it was concluded that the MKP compound is promising for LRW immobilization and can become an alternative material combining the advantages of easy implementation of the technology, like cementation and the high physical and chemical stability corresponding to a glass-like compound.

Calculations of magnetic x-ray dichroism in the 3d absorption spectra of rare-earth compounds

NARCIS (Netherlands)

GOEDKOOP, JB; THOLE, BT; VANDERLAAN, G; SAWATZKY, GA; DEGROOT, FMF; FUGGLE, JC; de Groot, Frank|info:eu-repo/dai/nl/08747610X

1988-01-01

We present atomic calculations for the recently discovered magnetic x-ray dichroism (MXD) displayed by the 3d x-ray-absorption spectra of rare-earth compounds. The spectral shapes expected at T=0 K for linear polarization parallel and normal to the local magnetic field is given, together with the

The influence of the magnetic state on the thermal expansion in 1:2 rare earth intermetallic compounds

International Nuclear Information System (INIS)

Gratz, E.; Lindbaum, A.

1994-01-01

The attempt is made to demonstrate on some selected rare earth intermetallics the influence of the magnetic state on the thermal expansion. Using the X-ray powder diffraction method we investigated the thermal expansion of some selected nonmagnetic compounds (YAl 2 , YNi 2 and YCo 2 ) and some magnetic RE (rare earth) - cobalt compounds (RCo 2 ) in the temperature range from 4 up to 450 K. All these compounds crystallize in the C15-type structure (cubic Laves phase structure). By comparing the nonmagnetic Y-based compounds we could show that there is an enhanced contribution of the 3d electrons to the thermal expansion in YCo 2 . In the magnetic RCo 2 compounds the induced 3d magnetism gives rise to large volume anomalies at the magnetic ordering temperature T c . Below T c there is in addition a distortion of the cubic unit cell due to the interaction of the magnetically ordered RE ions with the anisotropic crystal field.The thermal expansion of the orthorhombic TmCu 2 , GdCu 2 and YCu 2 compounds has also been investigated for comparison. The influence of the crystal field on the thermal expansion in TmCu 2 in the paramagnetic range (TmCu 2 orders magnetically at T N =6.3 K) has been determined by comparing the thermal expansion of the nonmagnetic YCu 2 with that of TmCu 2 . The data thus obtained are compared with a theoretical model. GdCu 2 , for which the influence of the crystal field can be neglected, has been investigated in order to study the influence of the exchange interaction in the magnetically ordered state (below 42 K). ((orig.))

Rare earths and actinides

International Nuclear Information System (INIS)

Coqblin, B.

1982-01-01

This paper reviews the different properties of rare-earths and actinides, either as pure metals or as in alloys or compounds. Three different cases are considered: (i) First, in the case of 'normal' rare-earths which are characterized by a valence of 3, we discuss essentially the magnetic ordering, the coexistence between superconductivity and magnetism and the properties of amorphous rare-earth systems. (ii) Second, in the case of 'anomalous' rare-earths, we distinguish between either 'intermediate-valence' systems or 'Kondo' systems. Special emphasis is given to the problems of the 'Kondo lattice' (for compounds such as CeAl 2 ,CeAl 3 or CeB 6 ) or the 'Anderson lattice' (for compounds such as TmSe). The problem of neutron diffraction in these systems is also discussed. (iii) Third, in the case of actinides, we can separate between the d-f hybridized and almost magnetic metals at the beginning of the series and the rare-earth like the metals after americium. (orig.)

Production of rare ginsenosides (compound Mc, compound Y and aglycon protopanaxadiol) by β-glucosidase from Dictyoglomus turgidum that hydrolyzes β-linked, but not α-linked, sugars in ginsenosides.

Science.gov (United States)

Lee, Gi-Woong; Kim, Kyoung-Rok; Oh, Deok-Kun

2012-09-01

Optimal hydrolytic activity of β-glucosidase from Dictyoglomus turgidum for the ginsenoside Rd was at pH 5.5 and 80 °C, with a half-life of ~11 h. The enzyme hydrolysed β-linked, but not α-linked, sugar moieties of ginsenosides. It produced the rare ginsenosides, aglycon protopanaxadiol (APPD), compounds Y, and Mc, via three unique transformation pathways: Rb(1) → Rd → F(2) → compound K → APPD, Rb(2) → compound Y, and Rc → compound Mc. The enzyme converted 0.5 mM Rb(2) and 0.5 mM Rc to 0.5 mM compound Y and 0.5 mM compound Mc after 3 h, respectively, with molar conversion yields of 100 %.

ELECTRICAL PROPERTIES OF COMPOUNDS AND ALLOYS OF RARE-EARTH METALS WITH ELEMENTS OF GROUPS V AND VI

Energy Technology Data Exchange (ETDEWEB)

Reid, F. J.; Matson, L. K.; Miller, J. F.; Himes, R. C.

1963-04-15

The electric properties of rare earth compounds and alloys with As, Sb, Se, and Te are reported. Without exception, samples of Se and Te compounds with normally trivalent Nd, Gd, and Ce having synthetic compositions, MX and M/sub 3/X/ sub 4/, are n-type wrth free electron concentrations in the range 10/sup 20/ to 10 /sup 22//cm/sup 3/, and have very low electric resistivities. Room temperature electric properties and thermoelectric data are tabulated. (P.C H.)

Efficient rare-event simulation for multiple jump events in regularly varying random walks and compound Poisson processes

NARCIS (Netherlands)

B. Chen (Bohan); J. Blanchet; C.H. Rhee (Chang-Han); A.P. Zwart (Bert)

2017-01-01

textabstractWe propose a class of strongly efficient rare event simulation estimators for random walks and compound Poisson processes with a regularly varying increment/jump-size distribution in a general large deviations regime. Our estimator is based on an importance sampling strategy that hinges

Simulation of the effects of rare earth elements presence in the growth of III-V compound layers

Czech Academy of Sciences Publication Activity Database

Šrobár, Fedor; Procházková, Olga

2007-01-01

Roč. 1, č. 10 (2007), s. 528-530 ISSN 1842-6573 R&D Projects: GA ČR GA102/06/0153 Institutional research plan: CEZ:AV0Z20670512 Keywords : semiconductor technology * rare earth compounds * getters Subject RIV: BM - Solid Matter Physics ; Magnetism

Rare earth germanates

International Nuclear Information System (INIS)

Bondar', I.A.; Vinogradova, N.V.; Dem'yanets, L.N.

1983-01-01

From the viewpoint of structural chemistry and general regularities controlling formation reactions of compounds and phases in melts, solid and gaseous states, recent achievements in the chemistry of rare earth germanates are generalized. Methods of synthesizing germanates, systems on the base of germanium oxides and rare earths are considered. The data on crystallochemical characteristics are tabulated. Individual compounds of scandium germanate are also characterized. Processes of germanate formation using the data of IR-spectroscopy, X-ray phase analysis are studied. The structure and morphotropic series of rare earth germanates and silicates are determined. Fields of their present and possible future application are considered

Dislocation Structure and Mobility in Hcp Rare-Gas Solids: Quantum versus Classical

Directory of Open Access Journals (Sweden)

Santiago Sempere

2018-01-01

Full Text Available We study the structural and mobility properties of edge dislocations in rare-gas crystals with the hexagonal close-packed (hcp structure by using classical simulation techniques. Our results are discussed in the light of recent experimental and theoretical studies on hcp 4 He, an archetypal quantum crystal. According to our simulations classical hcp rare-gas crystals present a strong tendency towards dislocation dissociation into Shockley partials in the basal plane, similarly to what is observed in solid helium. This is due to the presence of a low-energy metastable stacking fault, of the order of 0.1 mJ/m 2 , that can get further reduced by quantum nuclear effects. We compute the minimum shear stress that induces glide of dislocations within the hcp basal plane at zero temperature, namely, the Peierls stress, and find a characteristic value of the order of 1 MPa. This threshold value is similar to the Peierls stress reported for metallic hcp solids (Zr and Cd but orders of magnitude larger than the one estimated for solid helium. We find, however, that in contrast to classical hcp metals but in analogy to solid helium, glide of edge dislocations can be thermally activated at very low temperatures, T∼10 K, in the absence of any applied shear stress.

Results from the nuclear microprobe PIXE analysis of selected rare earth fluor compounds

International Nuclear Information System (INIS)

Hollerman, William A.; Gates, Earl; Boudreaux, Philip; Glass, Gary A.

2002-01-01

Most previous research measures fluorescence properties over the macroscopic regime. Properties of individual microscopic grains could be significantly different than those measured over the macroscopic scale. Until recently, it was difficult to measure properties of individual fluor grains. Existing characterization techniques like scanning electron microscopy are not practical, since the resulting fluorescence masks the electron surface profile. Starting in September 2000, a research program was initiated at the Acadiana Research Laboratory to determine microscopic fluorescence properties for selected inorganic rare earth compounds. The initial phase of this program utilized microscopic proton induced X-ray emission (μPIXE) to characterize the elemental composition of individual fluor grains. Results show that both individual grains and small clusters of grains could be seen using μPIXE. Maps of this type can be used to estimate grain dimensions for the selected rare earth fluor. This technique is a new and innovative method to characterize a fluor material

High-Intensity Femtosecond Laser Interaction with Rare Gas Clusters

Institute of Scientific and Technical Information of China (English)

林亚风; 钟钦; 曾淳; 陈哲

2001-01-01

With a 45 fs multiterawatt 790 nm laser system and jets of argon and krypton atomic clusters, a study of the interaction of fs intense laser pulses with large size rare gas dusters was conducted. The maximum laser intensity of about 7 × 1016 W/cm2 and dusters composed of thousands of atoms which were determined through Rayleigh scattering measurements were involved inthe experiments. On the one hand, the results indicate that the interaction is strongly cluster size dependent. The stronger the interaction, the larger the clusters are. On the other hand, a saturation followed by a drop of the energy of ions ejected from the interaction will occur when the laser intensity exceeds a definite value for clusters of a certain size.

Orbital alignment effects in near-resonant Rydberg atoms-rare gas collisions

International Nuclear Information System (INIS)

Isaacs, W.A.; Morrison, M.A.

1993-01-01

Recent experimental and theoretical studies of near-resonant energy transfer collisions involving rare-gas atoms and alkali or alkaline earth atoms which have been initially excited to an aligned state via one or more linearly polarized rasters have yielded a wealth of insight into orbital alignment and related effects. We have extended this inquiry to initially aligned Rydberg states, examining state-to-state and alignment-selected cross sections using quantum collision theory augmented by approximations appropriate to the special characteristics of the Rydberg state (e.g., the quasi-free-electron model and the impulse approximation)

Improvement of the thermal and thermo-oxidative stability of high-density polyethylene by free radical trapping of rare earth compound

Energy Technology Data Exchange (ETDEWEB)

Ran, Shiya; Zhao, Li; Han, Ligang [Laboratory of Polymer Materials and Engineering, Ningbo Institute of Technology, ZhejiangUniversity, Ningbo, 315100 (China); MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Institute of Polymer Composites, Zhejiang University, Hangzhou, 310027 (China); Guo, Zhenghong, E-mail: guozhenghong@nit.zju.edu.cn [Laboratory of Polymer Materials and Engineering, Ningbo Institute of Technology, ZhejiangUniversity, Ningbo, 315100 (China); Fang, Zhengping [Laboratory of Polymer Materials and Engineering, Ningbo Institute of Technology, ZhejiangUniversity, Ningbo, 315100 (China); MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Institute of Polymer Composites, Zhejiang University, Hangzhou, 310027 (China)

2015-07-20

Highlights: • Polyethylene filled with ytterbium trifluoromethanesulfonate was prepared. • A low Yb loading improved thermal stability of PE obviously by radical trapping. • Yb(OTf){sub 3} is expected to be an efficient thermal stabilizer for the polymer. - Abstract: A kind of rare earth compound, ytterbium trifluoromethanesulfonate (Yb(OTf){sub 3}), was introduced into high-density polyethylene (HDPE) by melt compounding to investigate the effect of Yb(OTf){sub 3} on the thermal and thermo-oxidative stability of HDPE. The results of thermogravimetric (TG) and differential scanning calorimetry (DSC) showed that the addition of Yb(OTf){sub 3} made the thermal degradation temperatures dramatically increased, the oxidative induction time (OIT) extended, and the enthalpy (ΔH{sub d}) reduced. Very low Yb(OTf){sub 3} loading (0.5 wt%) in HDPE could increase the onset degradation temperature in air from 334 to 407 °C, delay the OIT from 11.0 to 24.3 min, and decrease the ΔH{sub d} from 61.0 to 13.0 J/g remarkably. Electron spin resonance spectra (ESR), thermogravimetric analysis coupled to Fourier transform infrared spectroscopy (TGA-FTIR), rheological investigation and pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS) indicated that the free radicals-trapping ability of Yb(OTf){sub 3} was responsible for the improved thermal and thermo-oxidative stability.

Emissions of carbonyl compounds from various cookstoves in China

International Nuclear Information System (INIS)

Zhang, J.; Smith, K.R.; Univ. of California, Berkeley, CA

1999-01-01

This paper presents a new database of carbonyl emission factors for commonly used cookstoves in China. The emission factors, reported both on a fuel-mass basis (mg/kg) and on a defined cooking-task basis (mg/task), were determined using a carbon balance approach for 22 types of fuel/stove combinations. These include various stoves using different species of crop residues and wood, kerosene, and several types of coals and gases. The results show that all the tested cookstoves produced formaldehyde and acetaldehyde and that the vast majority of the biomass stoves produced additional carbonyl compounds such as acetone, acrolein, propionaldehyde, crotonaldehyde, 2-butanone, isobutyraldehyde, butyraldehyde, isovaleraldehyde, valeraldehyde, hexaldehyde, benzaldehyde, o-tolualdehyde, m,p-tolualdehyde, and 2,4-dimethylbenzaldehyde. Carbonyls other than formaldehyde and acetaldehyde, however, were rarely generated by burning coal, coal gas, and natural gas. Kerosene and LPG stoves generated more carbonyl compounds than coal, coal gas, and natural gas stoves, but less than biomass stoves. Indoor levels of carbonyl compounds for typical village houses during cooking hours, estimated using a mass balance model and the measured emission factors, can be high enough to cause acute health effects documented for formaldehyde exposure, depending upon house parameters and individuals' susceptibility

Rare earth-based quaternary Heusler compounds MCoVZ (M = Lu, Y; Z = Si, Ge with tunable band characteristics for potential spintronic applications

Directory of Open Access Journals (Sweden)

Xiaotian Wang

2017-11-01

Full Text Available Magnetic Heusler compounds (MHCs have recently attracted great attention since these types of material provide novel functionalities in spintronic and magneto-electronic devices. Among the MHCs, some compounds have been predicted to be spin-filter semiconductors [also called magnetic semiconductors (MSs], spin-gapless semiconductors (SGSs or half-metals (HMs. In this work, by means of first-principles calculations, it is demonstrated that rare earth-based equiatomic quaternary Heusler (EQH compounds with the formula MCoVZ (M = Lu, Y; Z = Si, Ge are new spin-filter semiconductors with total magnetic moments of 3 µB. Furthermore, under uniform strain, there are physical transitions from spin-filter semiconductor (MS → SGS → HM for EQH compounds with the formula LuCoVZ, and from HM → SGS → MS → SGS → HM for EQH compounds with the formula YCoVZ. Remarkably, for YCoVZ EQH compounds there are not only diverse physical transitions, but also different types of spin-gapless feature that can be observed with changing lattice constants. The structural stability of these four EQH compounds is also examined from the points of view of formation energy, cohesive energy and mechanical behaviour. This work is likely to inspire consideration of rare earth-based EQH compounds for application in future spintronic and magneto-electronic devices.

Assessment of density functional theory for bonds formed between rare gases and open-shell atoms: a computational study of small molecules containing He, Ar, Kr and Xe.

Science.gov (United States)

Bertolus, Marjorie; Major, Mohamed; Brenner, Valérie

2012-01-14

The validity of the description of the DFT approximations currently implemented in plane wave DFT codes (LDA, GGA, meta-GGA, hybrid, GGA + empirical dispersion correction) for interactions between rare gases and open-shell atoms which form materials is poorly known. We have performed a first assessment of the accuracy of these functionals for the description of the bonds formed by helium, argon, krypton and xenon with various open-shell atoms. This evaluation has been done on model molecular systems for which precise experimental data are available and reference post-Hartree-Fock calculations (CCSD(T) using large basis sets) are feasible. The results show that when the rare gas atom shares density with the neighbouring atoms, the GGA functionals yield good geometries and qualitatively correct binding energies, even if these are quite significantly overestimated. The use of hybrid functionals enables us to obtain good geometries and satisfactory binding energies. For compounds in which the rare gas atom forms weak dispersive-like bonding, the accuracy yielded by the various functionals is not as good. No functional gives satisfactory binding energies for all the compounds investigated. Several GGA and hybrid functionals yield correct geometries, even if some isomers are not obtained. One GGA functional (PBE) yields qualitatively correct results for the compounds of the three rare gases and several hybrid functionals give satisfactory energies for He compounds. The addition of an empirical dispersive correction improves the results on association compounds, but several isomers are not found.

Assessment of density functional theory for bonds formed between rare gases and open-shell atoms: a computational study of small molecules containing He, Ar, Kr and Xe

International Nuclear Information System (INIS)

Bertolus, Marjorie; Major, Mohamed; Brenner, Valerie

2012-01-01

The validity of the description of the DFT approximations currently implemented in plane wave DFT codes (LDA, GGA, meta-GGA, hybrid, GGA + empirical dispersion correction) for interactions between rare gases and open-shell atoms which form materials is poorly known. We have performed a first assessment of the accuracy of these functionals for the description of the bonds formed by helium, argon, krypton and xenon with various open-shell atoms. This evaluation has been done on model molecular systems for which precise experimental data are available and reference post-Hartree-Fock calculations (CCSD(T) using large basis sets) are feasible. The results show that when the rare gas atom shares density with the neighbouring atoms, the GGA functionals yield good geometries and qualitatively correct binding energies, even if these are quite significantly overestimated. The use of hybrid functionals enables us to obtain good geometries and satisfactory binding energies. For compounds in which the rare gas atom forms weak dispersive-like bonding, the accuracy yielded by the various functionals is not as good. No functional gives satisfactory binding energies for all the compounds investigated. Several GGA and hybrid functionals yield correct geometries, even if some isomers are not obtained. One GGA functional (PBE) yields qualitatively correct results for the compounds of the three rare gases and several hybrid functionals give satisfactory energies for He compounds. The addition of an empirical dispersive correction improves the results on association compounds, but several isomers are not found. (authors)

Spin polarization in rare earth intermetallic compounds

International Nuclear Information System (INIS)

Steenwijk, F.J. van

1976-01-01

In this thesis the results of Moessbauer experiments performed on a series of intermetallic compounds of europium and gadolinium are reported. For each of these compounds the magnetic hyperfine field, the electric field gradient at the nuclear site and the isomer shift were determined. For most of the compounds the magnetic ordering temperature was also measured. For some of the europium compounds (e.g. EuAu 5 , EuAg 5 , and EuCu 5 ) it could be derived from the measurements that the easy direction of magnetization falls along the crystallographic c-axis. In a number of compounds (e.g. EuCu 5 , EuZn 5 , EuAu 2 and GdCu 5 ), the various contributions to the magnetic hyperfine field were disentangled by the investigation of suitable pseudobinary compounds that are dilute in Eu. The neighbour contribution Hsub(N) and the paramagnetic Curie temperature thetasub(p) were compared with each other in terms of the RKKY model for EuCu 5 and GdCu 5 . Since the correspondence was found to be poor it was concluded that the magnetic behaviour in these compounds cannot be described by a simple free electron picture as is the basis for the RKKY model

Phase transitions of rare earth compounds during immobilization by foamed corundum

International Nuclear Information System (INIS)

Potemkina, T.I.; Zakharov, M.A.; Plotnikova, T.E.

1992-01-01

Expansion of work on the environmentally safe handling of radioactive materials has become very important in recent years. The proposed method for immobilizing radionuclides by injection into a porous matrix and subsequent fixation has a definite advantage over other techniques, because of its simplicity and low cost. This raises a number of problems that require careful study. The authors can distinguish the following: choice of porous matrix materials; thermal decomposition of nitrates directly in the matrix itself, which determines the minimum firing temperature; behavior and properties of oxides produced in nitrate decomposition; conditions for compound formation between injected solutions and matrix material; processes occurring during immobilizer storage. The rare earth nitrate series can be divided into two groups on the basis of behavior during thermal decomposition: the elements preceding and following Gd. The first group includes La, Pr, And Eu, for which decomposition begins simultaneously with conclusion of dehydration; the second includes Dy, Tb, and Yb, for which nitrate group decomposition begins before dehydration is complete. The authors utilized DTA, XPA, and IR analysis to study the physicochemical properties of the immobilizer produced by a single impregnation of the foamed corundum with rare earth (La, Eu, Dy, Tb, and Yb) nitrate solutions and subsequent firing at 900 degrees C for 30 min. The choice of these rare earths was dictated by the fact that the Ln 2 O 3 -AlO 3 system can be divided into three groups on the basis of phase ratios: La-Nd, Sm-Eu, and Gd-Lu. Lanthanide monoaluminates are formed in all these groups, and the difference lies in the other reaction products generated: LnAl 11 O 18 for La-Nd, LnAl 11 O 18 and Ln 4 Al 2 O 9 for Sm-Eu, and Ln 4 Al 2 O 9 and Ln 3 Al 5 O 12 for Gd-Lu

Rare-gas dependence of the self-quenching streamer

International Nuclear Information System (INIS)

Yoshioka, K.; Hashimoto, M.; Koori, N.; Kumabe, I.; Ohgaki, H.; Matoba, M.

1989-01-01

The self-quenching streamer (SQS) mode is understood these days as one of the basic modes of gas counter operation. In the present work, the SQS transition is clearly observed for Ar-, Kr- and Xe-mixtures with CH 4 , C 2 H 6 , C 3 H 8 , isoC 4 H 10 and CO 2 , and for He- and Ne-mixtures with C 2 H 6 , C 3 H 8 and isoC 4 H 10 . For He- and Ne-mixtures with CH 4 or CO 2 , the GM discharge is developed instead of the SQS transition. The avalanche size at the transition voltage decreases, in the order of He-, Ne-, Ar-, Kr- and Xe-mixtures, except for He-mixtures with CH 4 or CO 2 . The mechanisms of the SQS transition proposed by Atac et al. and Zhang have disadvantages in explaining all these results. If the photo-ionization is assumed as in Atac's mechanism, energetic photons whose yield is sufficiently large are needed for the SQS transition. The interaction between metastable states of rare gases proposed by Zhang may be energetically capable of producing electrons for the transition; effects of quenching gas in mixtures cannot be explained by this mechanism. Further investigation is necessary for microscopic processes occurring in the avalanche development. More detailed information is required on the atomic reaction cross sections of photo-ionization, radiative recombination, etc. (N.K.)

Dynamics of exciplex formation in rare gas media

International Nuclear Information System (INIS)

Rojas-Lorenzo, German; Rubayo-Soneira, Jesus; Alberti, Sebastian Fernandez

2009-01-01

A hopping-surface algorithm has been used to simulate the dynamics induced in rare gas matrices due to the photoexcitation ( 1 S 0 → 3 P 1 ) of atomic mercury embedded in them. Especially, the study of the dynamics of an exciplex formation in a model system consisting of solid xenon doped with atomic mercury. The process starts upon the photoexcitation of the Hg atom to its 3 P 1 electronic excited state. Diatomics-in-Molecule approach has been used for constructing the adiabatic potential surfaces. In all trajectories we show that a triatomic Xe-Hg * -Xe complex is formed, but in two conformations: bent and linear. The mechanisms leading to the formation of one or the other are identified. Mainly, are noted the thermal fluctuations of the Hg impurity and the shape of the potential surfaces. Furthermore, we show that non-radiative intrastate relaxation occurs via a conical intersection between the excited state surfaces. The simulated spectra are in very good agreement with the experimental data.

Calculations of the magnetic properties of R{sub 2}M{sub 14}B intermetallic compounds (R=rare earth, M=Fe, Co)

Energy Technology Data Exchange (ETDEWEB)

Ito, Masaaki, E-mail: masaaki.ito@neel.cnrs.fr [CNRS, Institut Néel, 25 rue des Martyrs, BP166, 38042 Grenoble (France); University Grenoble Alpes, Institut Néel, 38042 Grenoble (France); Advanced Material Engineering Division, Toyota Motor Corporation, Susono 410-1193 (Japan); Yano, Masao [Advanced Material Engineering Division, Toyota Motor Corporation, Susono 410-1193 (Japan); Dempsey, Nora M. [CNRS, Institut Néel, 25 rue des Martyrs, BP166, 38042 Grenoble (France); University Grenoble Alpes, Institut Néel, 38042 Grenoble (France); Givord, Dominique [CNRS, Institut Néel, 25 rue des Martyrs, BP166, 38042 Grenoble (France); University Grenoble Alpes, Institut Néel, 38042 Grenoble (France); Instituto de Fisica, Universidade Federal do Rio de Janeiro, Rio de Janeiro (Brazil)

2016-02-15

The hard magnetic properties of “R–M–B” (R=rare earth, M=mainly Fe) magnets derive from the specific intrinsic magnetic properties encountered in Fe-rich R{sub 2}M{sub 14}B compounds. Exchange interactions are dominated by the 3d elements, Fe and Co, and may be modeled at the macroscopic scale with good accuracy. Based on classical formulae that relate the anisotropy coefficients to the crystalline electric field parameters and exchange interactions, a simple numerical approach is used to derive the temperature dependence of anisotropy in various R{sub 2}Fe{sub 14}B compounds (R=Pr, Nd, Dy). Remarkably, a unique set of crystal field parameters give fair agreement with the experimentally measured properties of all compounds. This implies reciprocally that the properties of compounds that incorporate a mixture of different rare-earth elements may be predicted accurately. This is of special interest for material optimization that often involves the partial replacement of Nd with another R element and also the substitution of Co for Fe. - Highlights: • Anisotropy constants derived from CEF parameters of R{sub 2}M{sub 14}B compounds (M=Fe, Co). • Anisotropy constants of all R{sub 2}Fe{sub 14}B compounds using unique set of CEF parameters. • Moment non-collinearity in magnetization processes under B{sub app} along hard axis.

Gas phase THz spectroscopy of toxic agent simulant compounds using the AILES synchrotron beamline

Science.gov (United States)

Cuisset, A.; Smirnova, I.; Bocquet, R.; Hindle, F.; Mouret, G.; Yang, C.; Pirali, O.; Roy, P.

2010-02-01

A new study is currently underway aiming at recording and assigning the gas phase rovibrational spectra of several organophosphorus and organosulphur compounds in the THz frequency domain. Thanks to the exceptional properties of flux, brilliance and spectral range of the AILES beamline coupled to the FTIR spectrometer, the gas phase vibrational spectra of low volatility organophosphorous compounds have been recorded across the entire THz frequency range. High resolution FTIR spectroscopy was used to record the pure rotational and the low-frequency rovibrational spectrum of DMSO. A comparison between the spectra measured with the AILES beamline and the spectra obtained with optoelectronic THz sources is possible.

Some aspects of the interaction of photons and electrons with rare gas atoms

International Nuclear Information System (INIS)

Westerveld, W.B.

1979-01-01

Processes for excitation in rare gas atoms are described, due to absorption of photons and bombardment with electrons. The differences and similarities between excitation by absorption of light (spectroscopy) and by electron impact (collision physics) are qualified. Oscillator strengths from the self-absorption of resonance radiation in rare gases are determined. The excitation of 2'P and 3'P states of helium by electrons has been studied by observing excitation cross sections and polarization fractions obtained from XUV radiation. A description is given of a recently completed apparatus to study inelastic electron-atom scattering processes by coincidence techniques. An introduction is given to the theory which relates the parameters describing an excited state of an atom to the angular distribution of the radiation emitted in the decay of the excited state. (Auth.)

Sc, Y, La-Lu - Rare Earth Elements

International Nuclear Information System (INIS)

Anon.

1987-01-01

At present extensive efforts are being made in completing work on system number Rare Earth Elements. Part A is devoted to the occurrence of these elements on the earth and in the universe. Part B deals with the pure metals; the 7 volumes published cover the description of the separation from the raw materials, the preparation of pure metals,their uses and toxicology, the physical properties of nuclei, atoms, molecules, and isotopes; in addition the behavior of ions in solution and the electrochemical behavior of rare earth elements are described. The compounds are described in Part C. Part D with 6 volumes has been devoted to the description of coordination compounds and is completed. The volume ''Rare Earth Elements C 10'' deals with the rare earth tellurides, oxide tellurides, tellurates, telluride halides, tellurate halides, sulfide tellurides, selenide tellurides, and alkali rare earth tellurates. Another topic of this volume are the compounds of the rare earth elements with polonium. So far as meaningful and in accordance with all earlier volumes of ''Rare Earth Elements'' Series C, comparative data are presented in sections preceding treatment of the individual compounds and systems

Processing of monazite at the rare earth division,Udyogamandal

International Nuclear Information System (INIS)

Narayanan, N.S.; Thulasidoss, S.; Ramachandran, T.V.; Swaminathan, T.V.; Prasad, K.R.

1988-01-01

The processing techniques adopted at the Rare Earth Division of the Indian Rare Earths Limited at Udyogamandal, for the production of rare earth compounds of various compositions and purity grades are reviewed. Over 100 different compounds are produced and marketed, and these include mixed rare earths chloride, crude thorium concentrate, cerium oxide, cerium hydrate, rare earths carbonate, didymium salts and individual rare earth oxides and salts. Also, the trisodium phosphate obtained as byproduct in the processing of monazite, is recovered and marketed. The process scheme for monazite essentially involves alkaline digestion of ground monazite, removal of the by-product trisodium phosphate, separation of thorium through preferential dissolution of rare earths hydroxide in hydrochloric acid under controlled pH and temperature conditions followed by purification, and evaporation of the chloride solution to yield pure rare earths chloride. Part of the chloride is utilised for the production of individual rare earth compounds after separation by solvent extraction and ion exchange processes. Individual rare earth compounds of 99.99 %+ purity are regularly produced to cater to the demand within the country. (author) 8 figs., 1 tab

Electrical and optical properties of thin indium tin oxide films produced by pulsed laser ablation in oxygen or rare gas atmospheres

DEFF Research Database (Denmark)

Thestrup, B.; Schou, Jørgen; Nordskov, A.

1999-01-01

Films of indium tin oxide (ITO) have been produced in different background gases by pulsed laser deposition (PLD). The Films deposited in rare gas atmospheres on room temperature substrates were metallic, electrically conductive, but had poor transmission of visible light. For substrate temperatu......Films of indium tin oxide (ITO) have been produced in different background gases by pulsed laser deposition (PLD). The Films deposited in rare gas atmospheres on room temperature substrates were metallic, electrically conductive, but had poor transmission of visible light. For substrate...

Conceptual design of an angular multiplexed rare-gas-halide laser-fusion driver. Final technical report, 1 August 1979-31 May 1980

International Nuclear Information System (INIS)

Parks, J.H.

1980-11-01

A conceptual definition for angular multiplexed rare gas halide drivers was formulated and several design examples analyzed. Angular multiplexed rare gas-halide lasers, in particular the KrF* laser, can be designed to meet ICF requirements. These lasers are scalable, emit at short wavelengths (KrF* 250 nm), and through the use of optical angular multiplexing, produce the required high energy (approx. 1 to 5 MJ) in a short pulse (approx. 10 nsec) with projected overall efficiency in the range of 5 to 7%

Two generators to produce SI-traceable reference gas mixtures for reactive compounds at atmospheric levels

Science.gov (United States)

Pascale, C.; Guillevic, M.; Ackermann, A.; Leuenberger, D.; Niederhauser, B.

2017-12-01

To answer the needs of air quality and climate monitoring networks, two new gas generators were developed and manufactured at METAS in order to dynamically generate SI-traceable reference gas mixtures for reactive compounds at atmospheric concentrations. The technical features of the transportable generators allow for the realization of such gas standards for reactive compounds (e.g. NO2, volatile organic compounds) in the nmol · mol-1 range (ReGaS2), and fluorinated gases in the pmol ṡ mol-1 range (ReGaS3). The generation method is based on permeation and dynamic dilution. The transportable generators have multiple individual permeation chambers allowing for the generation of mixtures containing up to five different compounds. This mixture is then diluted using mass flow controllers, thus making the production process adaptable to generate the required amount of substance fraction. All parts of ReGaS2 in contact with the gas mixture are coated to reduce adsorption/desorption processes. Each input parameter required to calculate the generated amount of substance fraction is calibrated with SI-primary standards. The stability and reproducibility of the generated amount of substance fractions were tested with NO2 for ReGaS2 and HFC-125 for ReGaS3. They demonstrate stability over 1-4 d better than 0.4% and 0.8%, respectively, and reproducibility better than 0.7% and 1%, respectively. Finally, the relative expanded uncertainty of the generated amount of substance fraction is smaller than 3% with the major contributions coming from the uncertainty of the permeation rate and/or of the purity of the matrix gas. These relative expanded uncertainties meet then the needs of the data quality objectives fixed by the World Meteorological Organization.

Transmission electron microscope examination of rare-gas bubbles in metals: analysis of observed contrast effects

International Nuclear Information System (INIS)

Levy, V.

1964-01-01

Metallic samples containing rare gas bubbles have been examined by transmission electron microscopy. The different features of the contrast patterns of the bubbles have been explained by the dynamical theory of contrast, assuming that the bubble behaves as a hole in the metal. Experimental results are in good agreement with the theory. (author) [fr

Electronic response of rare-earth magnetic-refrigeration compounds GdX2 (X = Fe and Co)

Science.gov (United States)

Bhatt, Samir; Ahuja, Ushma; Kumar, Kishor; Heda, N. L.

2018-05-01

We present the Compton profiles (CPs) of rare-earth-transition metal compounds GdX2 (X = Fe and Co) using 740 GBq 137Cs Compton spectrometer. To compare the experimental momentum densities, we have also computed the CPs, electronic band structure, density of states (DOS) and Mulliken population (MP) using linear combination of atomic orbitals (LCAO) method. Local density and generalized gradient approximations within density functional theory (DFT) along with the hybridization of Hartree-Fock and DFT (B3LYP and PBE0) have been considered under the framework of LCAO scheme. It is seen that the LCAO-B3LYP based momentum densities give a better agreement with the experimental data for both the compounds. The energy bands and DOS for both the spin-up and spin-down states show metallic like character of the reported intermetallic compounds. The localization of 3d electrons of Co and Fe has also been discussed in terms of equally normalized CPs and MP data. Discussion on magnetization using LCAO method is also included.

Rare gas constraints on the history of Boulder 1, Station 2, Apollo 17

International Nuclear Information System (INIS)

Leich, D.A.; Kahl, S.B.; Kirschbaum, A.R.; Niemeyer, S.; Phinney, D.

1975-01-01

Rare gas isotopic analyses have been performed on both pile-irradiated and unirradiated samples from Boulder 1, Station 2. Two samples from rock 72255, the Civet Cat clast and a sample of adjacent breccia, have concordant 40 Ar- 39 Ar ages of 3.99 +- 0.03 b.y. and 4.01 +- 0.03 b.y., respectively. Several samples from rock 72275 have complex thermal release patterns with no datable features, but an intermediate temperature plateau from the dark rim material of the Marble Cake clast yields an age of 3.99 +- 0.03 b.y., indistinguishable from the age of rock 72255. We regard these ages as upper limits on the time of the Serenitatis basin-forming event. The absence of fossil solar-wind trapped gases in the breccia samples implies that a prior existence for the boulder as near-surface regolith material can be regarded as extremely unlikely. Instead, the small trapped rare-gas components have isotopic and elemental compositions diagnostic of the terrestrial-type trapped component which has previously been identified in several Apollo 16 breccias and in rock 14321. Excess fission Xe is found in all Boulder 1 samples in approximately 1:1 proportions with Xe from spontaneous fission of 238 U. This excess fission Xe is attributed to spontaneous fission of 244 Pu in situ. Cosmic-ray exposure ages for samples from rocks 72215 and 72255 are concordant with mean 81 Kr-Kr exposure ages of 41.4 +- 1.4 m.y. and 44.1 +- 3.3 m.y., respectively. However, a distinctly different 81 Kr-Kr exposure age of 52.5 +- 1.4 m.y. is obtained for samples from rock 72275. A two-stage exposure model is developed to account for this discordance and for the remaining cosmogenic rare-gas data. The first stage was initiated at least 55 m.y. ago, probably as a result of the excavation of the boulder source-crop. A discrete change in shielding depths approx. 35 m.y. ago probably corresponds to the dislodgement of Boulder 1 from the South Massif and emplacement in its present position

Common y-intercept and single compound regressions of gas-particle partitioning data vs 1/T

Science.gov (United States)

Pankow, James F.

Confidence intervals are placed around the log Kp vs 1/ T correlation equations obtained using simple linear regressions (SLR) with the gas-particle partitioning data set of Yamasaki et al. [(1982) Env. Sci. Technol.16, 189-194]. The compounds and groups of compounds studied include the polycylic aromatic hydrocarbons phenanthrene + anthracene, me-phenanthrene + me-anthracene, fluoranthene, pyrene, benzo[ a]fluorene + benzo[ b]fluorene, chrysene + benz[ a]anthracene + triphenylene, benzo[ b]fluoranthene + benzo[ k]fluoranthene, and benzo[ a]pyrene + benzo[ e]pyrene (note: me = methyl). For any given compound, at equilibrium, the partition coefficient Kp equals ( F/ TSP)/ A where F is the particulate-matter associated concentration (ng m -3), A is the gas-phase concentration (ng m -3), and TSP is the concentration of particulate matter (μg m -3). At temperatures more than 10°C from the mean sampling temperature of 17°C, the confidence intervals are quite wide. Since theory predicts that similar compounds sorbing on the same particulate matter should possess very similar y-intercepts, the data set was also fitted using a special common y-intercept regression (CYIR). For most of the compounds, the CYIR equations fell inside of the SLR 95% confidence intervals. The CYIR y-intercept value is -18.48, and is reasonably close to the type of value that can be predicted for PAH compounds. The set of CYIR regression equations is probably more reliable than the set of SLR equations. For example, the CYIR-derived desorption enthalpies are much more highly correlated with vaporization enthalpies than are the SLR-derived desorption enthalpies. It is recommended that the CYIR approach be considered whenever analysing temperature-dependent gas-particle partitioning data.

Penning ionization cross sections of excited rare gas atoms

International Nuclear Information System (INIS)

Ukai, Masatoshi; Hatano, Yoshihiko.

1988-01-01

Electronic energy transfer processes involving excited rare gas atoms play one of the most important roles in ionized gas phenomena. Penning ionization is one of the well known electronic energy transfer processes and has been studied extensively both experimentally and theoretically. The present paper reports the deexcitation (Penning ionization) cross sections of metastable state helium He(2 3 S) and radiative He(2 1 P) atoms in collision with atoms and molecules, which have recently been obtained by the authors' group by using a pulse radiolysis method. Investigation is made of the selected deexcitation cross sections of He(2 3 S) by atoms and molecules in the thermal collisional energy region. Results indicate that the cross sections are strongly dependent on the target molecule. The deexcitation probability of He(2 3 S) per collision increases with the excess electronic energy of He(2 3 S) above the ionization potential of the target atom or molecule. Another investigation, made on the deexcitation of He(2 1 P), suggests that the deexcitation cross section for He(2 1 P) by Ar is determined mainly by the Penning ionization cross section due to a dipole-dipole interaction. Penning ionization due to the dipole-dipole interaction is also important for deexcitation of He(2 1 P) by the target molecules examined. (N.K.)

TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

Directory of Open Access Journals (Sweden)

Viktor Hlukhyy

2010-12-01

Full Text Available The title compound, terbium hexaniobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an intergrowth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodecahedron 6/mmm; Nb (distorted icosahedron 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15 6mm and overline{6}m2; Sn (distorted icosahedron overline{6}m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels.

Dynamics of exciplex formation in rare gas media

Energy Technology Data Exchange (ETDEWEB)

Rojas-Lorenzo, German, E-mail: grojas37@gmail.com [Departamento de Fisica General y Matematicas, Instituto Superior de Tecnologias y Ciencias Aplicadas, La Habana (Cuba)] [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain); Rubayo-Soneira, Jesus [Departamento de Fisica General y Matematicas, Instituto Superior de Tecnologias y Ciencias Aplicadas, La Habana (Cuba); Alberti, Sebastian Fernandez [Centro de Estudios e Investigaciones, Universidad Nacional de Quilmes, Roque Saenz Pena 180, Bernal B1876BXD (Argentina)

2009-07-30

A hopping-surface algorithm has been used to simulate the dynamics induced in rare gas matrices due to the photoexcitation ({sup 1}S{sub 0} {yields} {sup 3}P{sub 1}) of atomic mercury embedded in them. Especially, the study of the dynamics of an exciplex formation in a model system consisting of solid xenon doped with atomic mercury. The process starts upon the photoexcitation of the Hg atom to its {sup 3}P{sub 1} electronic excited state. Diatomics-in-Molecule approach has been used for constructing the adiabatic potential surfaces. In all trajectories we show that a triatomic Xe-Hg{sup *}-Xe complex is formed, but in two conformations: bent and linear. The mechanisms leading to the formation of one or the other are identified. Mainly, are noted the thermal fluctuations of the Hg impurity and the shape of the potential surfaces. Furthermore, we show that non-radiative intrastate relaxation occurs via a conical intersection between the excited state surfaces. The simulated spectra are in very good agreement with the experimental data.

Interaction of rare gas clusters in intense laser field

International Nuclear Information System (INIS)

Dobosz, Sandrine

1998-01-01

Rare gas cluster jet targets have only been scarcely studied in strong laser fields. This is surprising since their properties are particularly appealing. Although considered as a gas phase target, the local density within clusters is comparable to that of the bulk. Intense irradiation of clusters produces a plasma thereby giving rise to strong collisional heating. This explains, in particular, the observation of very high fragment charge states and the generation of X-rays in the keV energy range. The complete set of our experimental results shows that the intra-cluster atoms are first ionised by tunnel ionisation followed by massive electron impact ionisation. Thus, for Xenon clusters, we have observed up to 30-fold charged. The most energetic electrons leave the cluster which contributes to a positive charge build-up on the cluster surface. The plasma expands under the combined action of the Coulomb and kinetic pressures. The contribution of each pressure depends on the cluster size and we show that the Coulomb pressure is prevailing for the smallest sizes. This scenario explains the ejection of fragments with energies of up to lMeV. We have also performed a high resolution X-ray study to explore in situ the properties of the plasma. These studies underline the importance of electron-ion collisions and allow to deterrnine the mean charge states of the emitting ions. Finally, we have developed a model, describing the cluster expansion, which confirms our experimental observations. (author) [fr

Gas chromatographic isolation of individual compounds from complex matrices for radiocarbon dating.

Science.gov (United States)

Eglinton, T I; Aluwihare, L I; Bauer, J E; Druffel, E R; McNichol, A P

1996-03-01

This paper describes the application of a novel, practical approach for isolation of individual compounds from complex organic matrices for natural abundance radiocarbon measurement. This is achieved through the use of automated preparative capillary gas chromatography (PCGC) to separate and recover sufficient quantities of individual target compounds for (14)C analysis by accelerator mass spectrometry (AMS). We developed and tested this approach using a suite of samples (plant lipids, petroleums) whose ages spanned the (14)C time scale and which contained a variety of compound types (fatty acids, sterols, hydrocarbons). Comparison of individual compound and bulk radiocarbon signatures for the isotopically homogeneous samples studied revealed that Δ(14)C values generally agreed well (±10%). Background contamination was assessed at each stage of the isolation procedure, and incomplete solvent removal prior to combustion was the only significant source of additional carbon. Isotope fractionation was addressed through compound-specific stable carbon isotopic analyses. Fractionation of isotopes during isolation of individual compounds was minimal (radiocarbon measurements. The addition of carbon accompanying derivatization of functionalized compounds (e.g., fatty acids and sterols) prior to chromatographic separation represents a further source of potential error. This contribution can be removed using a simple isotopic mass balance approach. Based on these preliminary results, the PCGC-based approach holds promise for accurately determining (14)C ages on compounds specific to a given source within complex, heterogeneous samples.

Rare earth octacyanomolybdates(4)

International Nuclear Information System (INIS)

Zubritskaya, D.I.; Sergeeva, A.N.; Pisak, Yu.V.

1980-01-01

Optimal conditions for synthesis of rare-earth octacyanomolybdates(4) of the Ln 4 [Mo(CN) 8 ] 3 xnH 2 O composition (where Ln is a rare-earth element, other than Pr, Pm, Lu, Tb) have been worked out. The synthesis has been accomplished by neutralization with octacianomolybdic acid with rare-earth carbonates. The composition and structure of the compounds synthesized have been studied by infrared-spectroscopy. It has been established that rare-earth octacyanomolybdates(4) form three isostructural groups

An improvement study on the closed chamber distillation system for recovery of renewable salts from salt wastes containing radioactive rare earth compounds

International Nuclear Information System (INIS)

Eun, H.C.; Cho, Y.Z.; Lee, T.K.; Kim, I.T.; Park, G.I.; Lee, H.S.

2013-01-01

In this paper, an improvement study on the closed chamber distillation system for recovery of renewable salts from salt wastes containing radioactive rare earth compounds was performed to determine optimum operating conditions. It was very important to maintain the pressure in the distillation chamber below 10 Torr for a high efficiency (salt recovery >99 %) of the salt distillation. This required increasing the salt vaporization and condensation rates in the distillation system. It was confirmed that vaporization and condensation rates could be improved controlling the given temperature of top of the condensation chamber. In the distillation tests of the salt wastes containing rare earth compounds, the operation time at a given temperature was greatly reduced changing the given temperature of top of the condensation chamber from 780 to 700 deg C. (author)

Method for storing radioactive rare gases

International Nuclear Information System (INIS)

Watabe, Atsushi; Nagao, Hiroyuki; Takiguchi, Yukio; Kanazawa, Toshio; Soya, Masataka.

1975-01-01

Object: To safely and securely store radioactive rare gases for a long period of time. Structure: The waste gases produced in nuclear power plant are cooled by a cooler and then introduced into a low temperature adsorbing device so that the gases are adsorbed by adsorbents, and then discharged into atmosphere through the purifying gas discharge line. When the radioactive rare gases reach a level of saturation in the amount of adsorption, they are heated and extracted by a suction pump and heated by a heater. The gases are then introduced into an oxygen-impurity removing device and the purified rare gases containing no oxygen and impurities are cooled by a cooler and fed into a gas holder. When the amount of radioactive rare gases stored within the gas holder reaches a given level, they are compressed and sealed by a compressure into a storing cylinder and residual gases in the piping are sucked and recovered into the gas holder, after which the cylinder is removed and stored in a fixed room. (Kamimura, M.)

Detection of Volatile Organic Compound Gas Using Localized Surface Plasmon Resonance of Gold Nanoparticles

International Nuclear Information System (INIS)

Sri Nengsih; Akrajas Ali Umar; Muhamad Mat Salleh; Muhammad Yahaya

2011-01-01

This paper reports on the detection of several organic vapors using the unique characteristic of localized surface plasmon resonance (LSPR) gold nanoparticles. Gold nanoparticles on quartz substrate were prepared using seed mediated growth method. In a typical process, gold nanoparticles with average size ca. 36 nm were obtained to densely grown on the substrate. Detection of gas was based on the change in the LSPR of the gold nanoparticles film upon the exposure to the gas sample. It was found that gold nanoparticles were sensitive to the presence of volatile organic compound (VOC) gas from the change in the surface plasmon resonance (SPR) intensity. The mechanism for the detection of VOCs gas will be discussed. (author)

Photoemission from excited states in rare gas solids by combining synchrotronradiation with a laser

International Nuclear Information System (INIS)

Bernstorff, S.

1984-09-01

A new spectroscopic method has been developed to study excited states in rare gas solids: Excitons and conductionband-states are populated by synchrotron radiation (photon energy hw SR =5 - 30 eV). Subsequently electrons from these bound or conduction band-states are excited above the vacuum level of the solid by a pulsed dye laser (hw L =1.9 - 3.7 eV). This experimental technique was applied to solid Xe, Kr, Ar and Ne. (orig./GSCH)

Synthesis and ferroelectric properties of rare earth compounds with tungsten bronze-type structure

Energy Technology Data Exchange (ETDEWEB)

Bouziane, M., E-mail: bouzianemeryem@yahoo.fr [Laboratoire de Chimie du Solide Appliquee, Faculte des Sciences, Avenue Ibn Batouta, BP 1014, Rabat (Morocco); Taibi, M. [Laboratoire de Physico-Chimie des Materiaux, LAF 502, Ecole Normale Superieure, BP 5118, Rabat (Morocco); Boukhari, A. [Laboratoire de Chimie du Solide Appliquee, Faculte des Sciences, Avenue Ibn Batouta, BP 1014, Rabat (Morocco)

2011-10-03

Highlights: {center_dot} Polycrystalline materials with the tungsten bronze-type structure have been synthesized and characterized. {center_dot} Effect of the incorporation of rare earth ions and paramagnetic cations (Fe{sup 3+}) into a matrix ferroelectrically active was studied. {center_dot} Ferroelectric transition is pronounced by a large thermal hysteresis during the heating and cooling cycles. {center_dot} Phase transitions around T{sub c} were confirmed by differential scanning calorimetry (DSC) measurements. - Abstract: Polycrystalline materials with a general formula Pb{sub 2}Na{sub 0.8}R{sub 0.2}Nb{sub 4.8}Fe{sub 0.2}O{sub 15} (R = Dy, Eu, Sm, Nd, La) have been synthesized, in air by a high temperature solid state reaction method. X-ray diffraction study, at room temperature, revealed that they crystallize in the tungsten bronze-type structure. Dielectric properties were performed, in the temperature range 25-500 deg. C, at three different frequencies 10, 100 and 1000 kHz. The ferroelectric transition is pronounced by a large thermal hysteresis during the heating and cooling cycles. The determined Curie temperature values T{sub c} were discussed as a function of rare earth size. Phase transitions around T{sub c} for the investigated compounds were confirmed by differential scanning calorimetry (DSC) measurements.

Aqueous Rare Earth Element Patterns and Concentration in Thermal Brines Associated With Oil and Gas Production

Energy Technology Data Exchange (ETDEWEB)

Nye, Charles [University of Wyoming; Quillinan, Scott Austin [University of Wyoming; Neupane, Ghanashyam [Idaho National Lab. (INL), Idaho Falls, ID (United States); McLing, Travis [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2017-02-13

This study is part of a joint effort by the University of Wyoming (UW) School of Energy Resources (SER), the UW Engineering Department, Idaho National Laboratories (INL), and the United States Geological Survey (USGS) to describe rare earth element concentrations in oil and gas produced waters and in coal-fired power station ash ponds. In this work we present rare earth element (REE) and trace metal behavior in produced water from four Wyoming oil and gas fields and surface ash pond water from two coal-fired power stations. The concentration of REEs in oil and gas produced waters is largely unknown. For example, of the 150,000 entries in the USGS National Produced Waters Geochemical Database less than 5 include data for REEs. Part of the reason for this scarcity is the analytical challenge of measuring REEs in high salinity, hydrocarbon-bearing waters. The industry standard for water analysis struggles to detect REEs in natural waters under ideal conditions. The detection of REEs in oil and gas field samples becomes all but impossible with the background noise and interferences caused by high concentrations of non-REE ions and residual hydrocarbons. The INL team members have overcome many of these challenges (e.g. McLing, 2014), and continue to develop their methods. Using the methods of the INL team members we measured REEs in high salinity oil and gas produced waters. Our results show that REEs exist as a dissolved species in all waters measured for this project, typically within the parts per trillion range. The samples may be grouped into two broad categories analytically, and these categories match their genesis: Wyoming oil and gas brines contain elevated levels of Europium, and Wyoming industrial pond waters show elevation in heavy REEs (HREEs). While broadly true, important variations exist within both groups. In the same field Europium can vary by more than an order of magnitude, and likewise HREEs in industrial ponds at the same site can vary by more than

Possibilities of analyzing dump and sewage gas, and determination of halogen and sulfur compounds

Energy Technology Data Exchange (ETDEWEB)

Eisenmann, R

1985-01-01

In connection with the utilization of refuse and sewage gas efficacions analytical methods are gaining increasing importance especially with regard to halogen and sulfur compounds. The paper describes various possibilities to determine those substances. Besides gas chromatography it takes into account classic analytical methods which can be superior in biogas analytics to modern physical processes. The advantages and disadvantages of each method are discussed and practical experiences obtained by their application reported.

Multi-quantum excitation in optically pumped alkali atom: rare gas mixtures

Science.gov (United States)

Galbally-Kinney, K. L.; Rawlins, W. T.; Davis, S. J.

2014-03-01

Diode-pumped alkali laser (DPAL) technology offers a means of achieving high-energy gas laser output through optical pumping of the D-lines of Cs, Rb, and K. The exciplex effect, based on weak attractive forces between alkali atoms and polarizable rare gas atoms (Ar, Kr, Xe), provides an alternative approach via broadband excitation of exciplex precursors (XPAL). In XPAL configurations, we have observed multi-quantum excitation within the alkali manifolds which result in infrared emission lines between 1 and 4 μm. The observed excited states include the 42FJ states of both Cs and Rb, which are well above the two-photon energy of the excitation laser in each case. We have observed fluorescence from multi-quantum states for excitation wavelengths throughout the exciplex absorption bands of Cs-Ar, Cs-Kr, and Cs-Xe. The intensity scaling is roughly first-order or less in both pump power and alkali concentration, suggesting a collisional energy pooling excitation mechanism. Collisional up-pumping appears to present a parasitic loss term for optically pumped atomic systems at high intensities, however there may also be excitation of other lasing transitions at infrared wavelengths.

Effects of Gas-Wall Partitioning in Teflon Tubing, Instrumentation and Other Materials on Time-Resolved Measurements of Gas-Phase Organic Compounds

Science.gov (United States)

Pagonis, D.; Deming, B.; Krechmer, J. E.; De Gouw, J. A.; Jimenez, J. L.; Ziemann, P. J.

2017-12-01

Recently it has been shown that gas-phase organic compounds partition to and from the walls of Teflon environmental chambers. This process is fast, reversible, and can be modeled as absorptive partitioning. Here these studies were extended to investigate gas-wall partitioning inside Teflon tubing by introducing step function changes in the concentration of compounds being sampled and measuring the delay in the response of a proton transfer reaction-mass spectrometer (PTR-MS). We find that these delays are significant for compounds with a saturation vapor concentration (c*) below 106 μg m-3, and that the Teflon tubing and the PTR-MS both contribute to the delays. Tubing delays range from minutes to hours under common sampling conditions and can be accurately predicted by a simple chromatography model across a range of tubing lengths and diameters, flow rates, compound functional groups, and c*. This method also allows one to determine the volatility-dependent response function of an instrument, which can be convolved with the output of the tubing model to correct for delays in instrument response time for these "sticky" compounds. This correction is expected to be of particular interest to researchers utilizing and developing chemical ionization mass spectrometry (CIMS) techniques, since many of the multifunctional organic compounds detected by CIMS show significant tubing and instrument delays. These results also enable better design of sampling systems, in particular when fast instrument response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. Additional results presented here extend this method to quantify the relative sorptive capacities for other commonly used tubing materials, including PFA, FEP, PTFE, PEEK, glass, copper, stainless steel, and passivated steel.

Radioactive rare gas recoverying device

International Nuclear Information System (INIS)

Kasai, Shigeo

1989-01-01

The apparatus of the present invention comprises a vessel for containing coolants, an introduction valve and an introduction pipe for introducing radioactive rare gases and an adsorption floor disposed in the coolants. A josephson device is disposed being immersed in the coolants between a radiation detector for detecting the radioactive level adsorbed to the adsorption floor and a driving section for driving the introduction valve by the signal from the detector. With this constitution, radioactive rare gases introduced into the coolants and then cooled and liquefied are recovered by the adsorption floor. As the adsorption proceeds and when the radioactivity level exceeds a maximum level in the effective shielding range of the recovery apparatus, the signal current from the radiation detector also exceeds a predetermined level. If radioactivity exceeds the maximum level, the electrical resistance of the josephson device is increased infinitely by the josephson effect to close the introduction valve. Accordingly, the radioactivity is not absorbed beyond the effective shielding range. (I.S.)

Progress of sintered NdFeB permanent magnets by the diffusion of non-rare earth elements and their alloy compounds

Directory of Open Access Journals (Sweden)

Lyu Meng

2017-12-01

Full Text Available It has been found that the coercivity (HC and corrosivity of sintered NdFeB magnets are closely related to the components and microstructure of their intergranular phase.The traditional smelting NdFeB magnets with adding heavy rare earth elements can modify intergranular phase to improve the HC and corrosion resistance of magnets.However,it makes the additives be homogenously distributed on the main phase,and causes magnetic decrease and cost increase.With the addition of non-rare earth materials into grain boundary,the microstructure of intergranular phase as well as its electrochemical potential and wettability can be optimized.As a result,the amount of heavy rare earth elements and cost of magnets could be reduced whilst the HC and corrosion resistance of magnets can be improved.This paper summarized the research on regulating the components and the microstructure of intergranular phase in sintered NdFeB magnets by non-rare earth metals and compounds,and its influence on coercivity and corrosion resistance.

Determination of nitrosourea compounds in brain tissue by gas chromatography and electron capture detection.

Science.gov (United States)

Hassenbusch, S J; Colvin, O M; Anderson, J H

1995-07-01

A relatively simple, high-sensitivity gas chromatographic assay is described for nitrosourea compounds, such as BCNU [1,3-bis(2-chloroethyl)-1-nitrosourea] and MeCCNU [1-(2-chloroethyl)-3-(trans-4-methylcyclohexyl)-1-nitrosourea], in small biopsy samples of brain and other tissues. After extraction with ethyl acetate, secondary amines in BCNU and MeCCNU are derivatized with trifluoroacetic anhydride. Compounds are separated and quantitated by gas chromatography using a capillary column with temperature programming and an electron capture detector. Standard curves of BCNU indicate a coefficient of variance of 0.066 +/- 0.018, a correlation coefficient of 0.929, and an extraction efficiency from whole brain of 68% with a minimum detectable amount of 20 ng in 5-10 mg samples. The assay has been facile and sensitive in over 1000 brain biopsy specimens after intravenous and intraarterial infusions of BCNU.

Determination of photoionization cross-sections of different organic molecules using gas chromatography coupled to single-photon ionization (SPI) time-of-flight mass spectrometry (TOF-MS) with an electron-beam-pumped rare gas excimer light source (EBEL): influence of molecular structure and analytical implications.

Science.gov (United States)

Eschner, Markus S; Zimmermann, Ralf

2011-07-01

This work describes a fast and reliable method for determination of photoionization cross-sections (PICS) by means of gas chromatography (GC) coupled to single-photon ionization mass spectrometry (SPI-MS). Photoionization efficiency (PIE) data for 69 substances was obtained at a photon energy of 9.8 ± 0.4 eV using an innovative electron-beam-pumped rare gas excimer light source (EBEL) filled with argon. The investigated analytes comprise 12 alkylbenzenes as well as 11 other substituted benzenes, 23 n-alkanes, ten polyaromatic hydrocarbons, seven aromatic heterocycles, and six polyaromatic heterocycles. Absolute PICS for each substance at 9.8 eV are calculated from the relative photoionization efficiencies of the compounds with respect to benzene, whose photoionization cross-section data is well known. Furthermore, a direct correlation between the type of benzene substituents and their absolute PICS is presented and discussed in depth. Finally, comparison of previously measured photoionization cross-sections for 20 substances shows good agreement with the data of the present work.

Effect of introduction atoms on effective exchange field in ferrimagnetic rare earth compounds and 3d-transition metal compounds such as R2Fe17 and RFe11Ti

International Nuclear Information System (INIS)

Nikitin, S.A.; Tereshina, I.S

2003-01-01

The magnetic properties of the ferrimagnetic compounds R 2 Fe 17 and RFe 11 Ti, as well as their hydrides and nitrides are studied. The change in the exchange fields, effecting the rare earth (RE) ions both from the side of the Fe sublattice and from the side of other RE ions in the process of hydrogenation and nitration is determined and Curie temperature dependence of the source compounds, their hydrides and nitrides on the de Genes factor is identified. It is established that in the course of the light atoms (H and N) introduction into the crystalline lattice of the R 2 Fe 17 and RFe 11 Ti compounds there takes place significant increase in the Curie temperature, in the Fe-Fe exchange interactions and decrease in the R-R interactions. This may be interpreted as the result of the oc curing changes in the electron structures of such compounds and indirect exchange interactions [ru

Recent results of examination of the applicability of polyoxonium compounds to the extraction separation of rare earth elements

International Nuclear Information System (INIS)

Buchalova, M.

1992-01-01

Macrocyclic polyethers possess an extraordinary ability to bond with high selectivity to metal ions. The salt-polyether complex is formed by ion-dipole interaction between the cation and the negatively charged oxygen atoms symmetrically positioned in the polyether ring. Compounds of cyclic polyethers can be employed as extractants in solvent extraction systems, which not only can be applied to the separation of ions but also can provide information on the mechanism of the complexation. The process of extraction of lanthanides in the presence of hydrophobic counter-ions is described, and the calculated equilibrium constants are given. A survey is presented of the application of polyoxonium compounds to the extraction separation of rare earths. (M.D.). 12 figs., 3 tabs., 40 refs

Process for making rare earth metal chlorides

International Nuclear Information System (INIS)

Kruesi, P.R.

1981-01-01

An uncombined metal or a metal compound such as a sulfide, oxide, carbonate or sulfate is converted in a liquid salt bath to the corresponding metal chloride by reacting it with chlorine gas or a chlorine donor. The process applies to metals of groups 1b, 2a, 2b, 3a, 3b, 4a, 5a and 8 of the periodic table and to the rare earth metals. The chlorine donor may be ferric or sulfur chloride. The liquid fused salt bath is made up of chlorides of alkali metals, alkaline earth metals, ammonia, zinc and ferric iron. Because the formed metal chlorides are soluble in the liquid fused salt bath, they can be recovered by various conventional means

Gas chromatographic analysis of reactive carbonyl compounds formed from lipids upon UV-irradiation

International Nuclear Information System (INIS)

Dennis, K.J.; Shibamoto, T.

1990-01-01

Peroxidation of lipids produces carbonyl compounds; some of these, e.g., malonaldehyde and 4-hydroxynonenal, are genotoxic because of their reactivity with biological nucleophiles. Analysis of the reactive carbonyl compounds is often difficult. The methylhydrazine method developed for malonaldehyde analysis was applied to simultaneously measure the products formed from linoleic acid, linolenic acid, arachidonic acid, and squalene upon ultraviolet-irradiation (UV-irradiation). The photoreaction products, saturated monocarbonyl, alpha,beta-unsaturated carbonyls, and beta-dicarbonyls, were derivatized with methylhydrazine to give hydrazones, pyrazolines, and pyrazoles, respectively. The derivatives were analyzed by gas chromatography and gas chromatography-mass spectrometry. Lipid peroxidation products identified included formaldehyde, acetaldehyde, acrolein, malonaldehyde, n-hexanal, and 4-hydroxy-2-nonenal. Malonaldehyde levels formed upon 4 hr of irradiation were 0.06 micrograms/mg from squalene, 2.4 micrograms/mg from linolenic acid, and 5.7 micrograms/mg from arachidonic acid. Significant levels of acrolein (2.5 micrograms/mg) and 4-hydroxy-2-nonenal (0.17 micrograms/mg) were also produced from arachidonic acid upon 4 hr irradiation

Magnetocaloric effect in textured rare earth intermetallic compound ErNi

Directory of Open Access Journals (Sweden)

Aparna Sankar

2018-05-01

Full Text Available Melt-spun ErNi crystallizes in orthorhombic FeB-type structure (Space group Pnma, no. 62 similar to the arc-melted ErNi compound. Room temperature X-ray diffraction (XRD experiments reveal the presence of texture and preferred crystal orientation in the melt-spun ErNi. The XRD data obtained from the free surface of the melt-spun ErNi show large intensity enhancement for (1 0 2 Bragg reflection. The scanning electron microscopy image of the free surface depicts a granular microstructure with grains of ∼1 μm size. The arc-melted and the melt-spun ErNi compounds order ferromagnetically at 11 K and 10 K (TC respectively. Field dependent magnetization (M-H at 2 K shows saturation behaviour and the saturation magnetization value is 7.2 μB/f.u. for the arc-melted ErNi and 7.4 μB/f.u. for the melt-spun ErNi. The isothermal magnetic entropy change (ΔSm close to TC has been calculated from the M-H data. The maximum isothermal magnetic entropy change, -ΔSmmax, is ∼27 Jkg-1K-1 and ∼24 Jkg-1K-1 for the arc-melted and melt-spun ErNi for 50 kOe field change, near TC. The corresponding relative cooling power values are ∼440 J/kg and ∼432 J/kg respectively. Although a part of ΔSm is lost to crystalline electric field (CEF effects, the magnetocaloric effect is substantially large at 10 K, thus rendering melt-spun ErNi to be useful in low temperature magnetic refrigeration applications such as helium gas liquefaction.

Magnetocaloric effect in textured rare earth intermetallic compound ErNi

Science.gov (United States)

Sankar, Aparna; Chelvane, J. Arout; Morozkin, A. V.; Nigam, A. K.; Quezado, S.; Malik, S. K.; Nirmala, R.

2018-05-01

Melt-spun ErNi crystallizes in orthorhombic FeB-type structure (Space group Pnma, no. 62) similar to the arc-melted ErNi compound. Room temperature X-ray diffraction (XRD) experiments reveal the presence of texture and preferred crystal orientation in the melt-spun ErNi. The XRD data obtained from the free surface of the melt-spun ErNi show large intensity enhancement for (1 0 2) Bragg reflection. The scanning electron microscopy image of the free surface depicts a granular microstructure with grains of ˜1 μm size. The arc-melted and the melt-spun ErNi compounds order ferromagnetically at 11 K and 10 K (TC) respectively. Field dependent magnetization (M-H) at 2 K shows saturation behaviour and the saturation magnetization value is 7.2 μB/f.u. for the arc-melted ErNi and 7.4 μB/f.u. for the melt-spun ErNi. The isothermal magnetic entropy change (ΔSm) close to TC has been calculated from the M-H data. The maximum isothermal magnetic entropy change, -ΔSmmax, is ˜27 Jkg-1K-1 and ˜24 Jkg-1K-1 for the arc-melted and melt-spun ErNi for 50 kOe field change, near TC. The corresponding relative cooling power values are ˜440 J/kg and ˜432 J/kg respectively. Although a part of ΔSm is lost to crystalline electric field (CEF) effects, the magnetocaloric effect is substantially large at 10 K, thus rendering melt-spun ErNi to be useful in low temperature magnetic refrigeration applications such as helium gas liquefaction.

Study on a method for loading a Li compound to produce tritium using high-temperature gas-cooled reactor

Energy Technology Data Exchange (ETDEWEB)

Nakaya, Hiroyuki, E-mail: nakaya@nucl.kyushu-u.ac.jp [Department of Applied Quantum Physics and Nuclear Engineering, Kyushu University, 744 Motooka, Fukuoka 8190395 (Japan); Matsuura, Hideaki [Department of Applied Quantum Physics and Nuclear Engineering, Kyushu University, 744 Motooka, Fukuoka 8190395 (Japan); Katayama, Kazunari [Department of Advanced Energy Engineering Science, Kyushu University, 6-1 Kasuga-koen, Kasuga 8168580 (Japan); Goto, Minoru; Nakagawa, Shigeaki [Japan Atomic Energy Agency, 4002 Oarai, Ibaraki (Japan)

2015-10-15

Highlights: • Tritium production by a high-temperature gas-cooled reactor was studied. • The loading method considering tritium outflow suppression was estimated. • A reactor with 600 MWt produced 400–600 g of tritium for 180 days. • A possibility that tritium outflow can be sufficiently suppressed was shown. - Abstract: Tritium production using high-temperature gas-cooled reactors and its outflow from the region loading Li compound into the helium coolant are estimated when considering the suppression of tritium outflow. A Li rod containing a cylindrical Li compound placed in an Al{sub 2}O{sub 3} cladding tube is assumed as a method for loading Li compound. A gas turbine high-temperature reactor of 300 MW electrical nominal capacity (GTHTR300) with 600 MW thermal output power is considered and modeled using the continuous-energy Monte Carlo transport code MVP-BURN, where burn-up simulations are carried out. Tritium outflow is estimated from equilibrium solution for the tritium diffusion equation in the cladding tube. A GTHTR300 can produce 400–600 g of tritium over a 180-day operation using the chosen method of loading the Li compound while minimizing tritium outflow from the cladding tube. Optimizing tritium production while suppressing tritium outflow is discussed.

Study of the hyperfine magnetic field acting on Ce probes substituting for the rare earth and the magnetic ordering in intermetallic compounds RAg (R=rare earth) by first principles calculations

International Nuclear Information System (INIS)

Pereira, Luciano Fabricio Dias

2006-01-01

In this work the magnetic hyperfine field acting on Ce atoms substituting the rare-earths in R Ag compounds (R = Gd e Nd) was studied by means of first-principles electronic structure calculations. The employed method was the Augmented Plane Waves plus local orbitals (APW+lo), embodied in the WIEN2k program, within the framework of the Density Functional Theory (DFT) and with the Generalized Gradient Approximation (GGA) for the exchange and correlation potential. The super-cell approach was utilized in order to simulate for the Ce atoms acting as impurities in the R Ag matrix. In order to improve for correlation effects within the 4f shells, a Hubbard term was added to the DFT Hamiltonian, within a procedure called GGA+U. It was found that the magnetic hyperfine field (MHF) generated by the Ce 4f electron is the main component of the total MHF and that the Ce 4f ground state level is probably a combination of the m l = -2 and m l = -1 sub-levels. In addition, the ground-state magnetic structure was determined for Ho Ag and Nd Ag by observing the behavior of the total energy as a function of the lattice volume for several possible magnetic ordering in these compounds, namely, ferromagnetic, and the (0,0,π), (π,π,0) and ((π,π,π) types of anti-ferromagnetic ordering of rare-earth atoms. It was found that the ground-state magnetic structure is anti-ferromagnetic of type (π,π,0) for both, the Ho Ag and Nd Ag compounds. The energy difference of the ferromagnetic and antiferromagnetic ordering is very small in the case of the Nd Ag compound. (author)

Interaction of rare gas metastable atoms

International Nuclear Information System (INIS)

Wang, A.Z.F.

1977-11-01

The physical and chemical properties of metastable rare gas atoms are discussed and summarized. This is followed by a detailed examination of the various possible pathways whereby the metastable's excess electronic energy can be dissipated. The phenomenon of chemi-ionization is given special emphasis, and a theoretical treatment based on the use of complex (optical) potential is presented. This is followed by a discussion on the unique advantages offered by elastic differential cross section measurements in the apprehension of the fundamental forces governing the ionization process. The methodology generally adopted to extract information about the interaction potential for scattering data is also systematically outlined. Two widely studied chemi-ionization systems are then closely examined in the light of accurate differential cross section measurements obtained in this work. The first system is He(2 3 S) + Ar for which one can obtain an interaction potential which is in good harmony with the experimental results of other investigators. The validity of using the first-order semiclassical approximation for the phase shifts calculation in the presence of significant opacities is also discussed. The second reaction studied is He*+D 2 for which measurements were made on both spin states of the metastable helium. A self-consistent interaction potential is obtained for the triplet system, and reasons are given for not being able to do likewise for the singlet system. The anomalous hump proposed by a number of laboratories is analyzed. Total elastic and ionization cross sections as well as rate constants are calculated for the triplet case. Good agreement with experimental data is found. Finally, the construction and operation of a high power repetitively pulsed nitrogen laser pumped dye laser system is described in great details. Details for the construction and operation of a flashlamp pumped dye laser are likewise given

Development of a Small, Inexpensive, and Field-deployable Gas Chromatograph for the Automated Collection, Separation, and Analysis of Gas-phase Organic Compounds

Science.gov (United States)

Skog, K.; Xiong, F.; Gentner, D. R.

2017-12-01

The identification and quantification of gas-phase organic compounds, like volatile organic compounds (VOCs), in the atmosphere relies on separation of complex mixtures and sensitive detection. Gas chromatography (GC) is widely applied, but relies on the need for high-purity compressed gases for separation and, often for detection. We have developed a low-cost, compact GC-based system for the collection and quantitative chemical speciation of complex mixtures of common atmospheric VOCs without the need for compressed high-purity gases or expensive detectors. We present results of lab and field testing against a commercially-available GC system. At optimized linear velocities challenging VOC pairs of similar volatility were resolved within 30 minutes, including n- and i-pentane; n-pentane and isoprene; and ethylbenzene and m/p-xylene. For 5-30 minute samples, we observe ppt-level detection limits for common VOCs such as benzene, toluene, ethylbenzene, xylenes, alpha-pinene, and limonene. We also present results of in-field use for VOC measurements. In all, this instrument is accurate, precise, small, and inexpensive (<$2500). Its lack of compressed gas cylinders make it ideal for field deployment and has been demonstrated to produce similar quality data to available GC technology.

Snowflake-Shaped ZnO Nanostructures-Based Gas Sensor for Sensitive Detection of Volatile Organic Compounds

Directory of Open Access Journals (Sweden)

Tianli Han

2017-01-01

Full Text Available Volatile organic compounds (VOCs have been considered severe risks to human health. Gas sensors for the sensitive detection of VOCs are highly required. However, the preparation of gas-sensing materials with a high gas diffusion performance remains a great challenge. Here, through a simple hydrothermal method accompanied with a subsequent thermal treatment, a special porous snowflake-shaped ZnO nanostructure was presented for sensitive detection of VOCs including diethyl ether, methylbenzene, and ethanol. The fabricated gas sensors exhibit a good sensing performance including high responses to VOCs and a short response/recovery time. The responses of the ZnO-based gas sensor to 100 ppm ethanol, methylbenzene, and diethyl ether are about 27, 21, and 11, respectively, while the response times to diethyl ether and methylbenzene are less than 10 seconds. The gas adsorption-desorption kinetics is also investigated, which shows that the gas-sensing behaviors to different target gases are remarkably different, making it possible for target recognition in practical applications.

New benchmark for basic and neutral nitrogen compounds speciation in middle distillates using comprehensive two-dimensional gas chromatography.

Science.gov (United States)

Adam, Frédérick; Bertoncini, Fabrice; Brodusch, Nicolas; Durand, Emmanuelle; Thiébaut, Didier; Espinat, Didier; Hennion, Marie-Claire

2007-04-27

This paper reports an analytical method for the comprehensive two-dimensional gas chromatography (GC x GC) separation and identification of nitrogen compounds (N-compounds) in middle distillates according to their types (basicity). For the evaluation of the best chromatographic conditions, a non-polar x polar approach was chosen. The impact of the second dimension (stationary phase and column length) on the separation of basic and neutral N-compounds was evaluated by mean of two-dimensional resolution. This study revealed that the implementation of polar secondary column having free electron pairs improves drastically the separation of N-compounds. Indeed, the presence of permanent dipole-permanent dipole interactions between neutral N-compounds and the stationary phase was enlightened. The comparison of two different nitrogen chemiluminescence detectors (NCD) was also evaluated for GC x GC selective monitoring of N-compounds. Owing to higher resolution power and enhanced sensitivity achieved using developed chromatographic and detection conditions, it was possible to identify univocally and to quantitate N-compounds (i) by class of compounds and (ii), within a class, by carbon number. Finally, quantitative comparison of GC x GC-NCD with conventional gas chromatography illustrates the benefits of GC x GC leading to an excellent correlation with results obtained by American Society for Testing Materials (ASTM) methods for the determination of basic/neutral nitrogen ratio in diesel samples.

Regulatory off-gas analysis from the evaporation of Hanford simulated waste spiked with organic compounds.

Science.gov (United States)

Saito, Hiroshi H; Calloway, T Bond; Ferrara, Daro M; Choi, Alexander S; White, Thomas L; Gibson, Luther V; Burdette, Mark A

2004-10-01

After strontium/transuranics removal by precipitation followed by cesium/technetium removal by ion exchange, the remaining low-activity waste in the Hanford River Protection Project Waste Treatment Plant is to be concentrated by evaporation before being mixed with glass formers and vitrified. To provide a technical basis to permit the waste treatment facility, a relatively organic-rich Hanford Tank 241-AN-107 waste simulant was spiked with 14 target volatile, semi-volatile, and pesticide compounds and evaporated under vacuum in a bench-scale natural circulation evaporator fitted with an industrial stack off-gas sampler at the Savannah River National Laboratory. An evaporator material balance for the target organics was calculated by combining liquid stream mass and analytical data with off-gas emissions estimates obtained using U.S. Environmental Protection Agency (EPA) SW-846 Methods. Volatile and light semi-volatile organic compounds (1 mm Hg vapor pressure) in the waste simulant were found to largely exit through the condenser vent, while heavier semi-volatiles and pesticides generally remain in the evaporator concentrate. An OLI Environmental Simulation Program (licensed by OLI Systems, Inc.) evaporator model successfully predicted operating conditions and the experimental distribution of the fed target organics exiting in the concentrate, condensate, and off-gas streams, with the exception of a few semi-volatile and pesticide compounds. Comparison with Henry's Law predictions suggests the OLI Environmental Simulation Program model is constrained by available literature data.

Peptide modified ZnO nanoparticles as gas sensors array for volatile organic compounds (VOCs)

Science.gov (United States)

Mascini, Marcello; Gaggiotti, Sara; Della Pelle, Flavio; Di Natale, Corrado; Qakala, Sinazo; Iwuoha, Emmanuel; Pittia, Paola; Compagnone, Dario

2018-04-01

In this work a peptide based gas sensor array based of ZnO nanoparticles (ZnONPs) has been realized. Four different pentapeptides molecularly modelled for alcohols and esters having cysteine as a common spacer have been immobilized onto ZnONPs. ZnONPs have been morphologically and spectroscopically characterized. Modified nanoparticles have been then deposited onto quartz crystal microbalances (QCMs) and used as gas sensors with nitrogen as carrier gas. Analysis of the pure compounds modelled demonstrated a nice fitting of modelling with real data. The peptide based ZnONPs had very low sensitivity to water, compared to previously studied AuNPs peptide based gas sensors allowing the use of the array on samples with high water content. Real samples of fruit juices have been assayed; stability of the signal, good repeatability and discrimination ability of the array was achieved.

Peptide Modified ZnO Nanoparticles as Gas Sensors Array for Volatile Organic Compounds (VOCs

Directory of Open Access Journals (Sweden)

Marcello Mascini

2018-04-01

Full Text Available In this work a peptide based gas sensor array based of ZnO nanoparticles (ZnONPs has been realized. Four different pentapeptides molecularly modeled for alcohols and esters having cysteine as a common spacer have been immobilized onto ZnONPs. ZnONPs have been morphologically and spectroscopically characterized. Modified nanoparticles have been then deposited onto quartz crystal microbalances (QCMs and used as gas sensors with nitrogen as carrier gas. Analysis of the pure compounds modeled demonstrated a nice fitting of modeling with real data. The peptide based ZnONPs had very low sensitivity to water, compared to previously studied AuNPs peptide based gas sensors allowing the use of the array on samples with high water content. Real samples of fruit juices have been assayed; stability of the signal, good repeatability, and discrimination ability of the array was achieved.

Gas Chromatographic-Ion Trap Mass Spectrometric Analysis of Volatile Organic Compounds by Ion-Molecule Reactions Using the Electron-Deficient Reagent Ion CCl{3/+}

Science.gov (United States)

Wang, Cheng-Zhong; Su, Yue; Wang, Hao-Yang; Guo, Yin-Long

2011-10-01

When using tetrachloromethane as the reagent gas in gas chromatography-ion trap mass spectrometry equipped with hybrid ionization source, the cation CCl{3/+} was generated in high abundance and further gas-phase experiments showed that such an electron-deficient reagent ion CCl{3/+} could undergo interesting ion-molecule reactions with various volatile organic compounds, which not only present some informative gas-phase reactions, but also facilitate qualitative analysis of diverse volatile compounds by providing unique mass spectral data that are characteristic of particular chemical structures. The ion-molecule reactions of the reagent ion CCl{3/+} with different types of compounds were studied, and results showed that such reactions could give rise to structurally diagnostic ions, such as [M + CCl3 - HCl]+ for aromatic hydrocarbons, [M - OH]+ for saturated cyclic ether, ketone, and alcoholic compounds, [M - H]+ ion for monoterpenes, M·+ for sesquiterpenes, [M - CH3CO]+ for esters, as well as the further fragment ions. The mechanisms of ion-molecule reactions of aromatic hydrocarbons, aliphatic ketones and alcoholic compounds with the reagent ion CCl{3/+} were investigated and proposed according to the information provided by MS/MS experiments and theoretical calculations. Then, this method was applied to study volatile organic compounds in Dendranthema indicum var. aromaticum and 20 compounds, including monoterpenes and their oxygen-containing derivatives, aromatic hydrocarbon and sesquiterpenes were identified using such ion-molecule reactions. This study offers a perspective and an alternative tool for the analysis and identification of various volatile compounds.

Rare earths 1998 market update

International Nuclear Information System (INIS)

Tourre, J.M.

1998-01-01

The rare earth industry has always been a world of rapid change with the emergence of new markets, new ores and new players, as well as the disappearance of old applications. Rare earth based products are used in a great diversity of applications such as hard disk drives, CD drives, batteries, capacitors, pigments, ceramics, polishing powders, fuel cells, flints, catalyst converter, fluid cracking catalysts, etc. South East Asia holds the largest share of the known reserve of rare earth ores and is one of the major markets for rare earth compounds; in the last ten years, China has become the largest producer of rare earth intermediates as well as an important exporter of separated rare earth elements. Today, China has approximately 150 factories producing rare earth compounds, most of which are experiencing financial difficulties due to the lack of knowledge of true market needs, lack of control of their distribution channels and production over-capacity. Recently the Chinese rare earth producers have recognized the situation and efforts are underway to rationalize rare earth production. Japan has dominated many of the major application markets, and is by far the largest market for metal and alloy products. This will remain the case for the next five years; however, new countries are emerging as significant users of rare earth products such as Korea, Taiwan and Malaysia. During the last ten years rare earth producers adjusted to several radical changes that affected the raw materials, the application mix and the price structure. New producers have emerged, especially from China; some have subsequently stopped their activities while others have focused their efforts in a specific market segment

Development of Tandem, Double-Focusing, Electron Impact, Gas Source Mass Spectrometer for Measurement of Rare Double-Substituted Isotoplogues in Geochemistry

Energy Technology Data Exchange (ETDEWEB)

Young, Edward D. [University of California, Los Angeles, CA (United States)

2015-07-30

This project culminated in construction and delivery of the world’s first large-radius gas-source isotope ratio mass spectrometer that permits unparalleled analyses of the stable isotopic composition of methane gas. The instrument, referred to as the “Panorama” and installed at UCLA in March 2015, can now be used to determine the relative abundances of rare isotopic species of methane that serve as tracers of temperature of formation and/or subsequent processing of gas. With this technology we can begin to delineate different sources and sinks of methane isotopically in ways not possible until now.

Extending the range of compounds amenable for gas chromatography-mass spectrometric analysis.

Science.gov (United States)

Fialkov, Alexander B; Gordin, Alexander; Amirav, Aviv

2003-04-04

Gas chromatography-mass spectrometry (GC-MS) suffers from a major limitation in that an expanding number of thermally labile or low volatility compounds of interest are not amenable for analysis. We found that the elution temperatures of compounds from GC can be significantly lowered by reducing the column length, increasing the carrier gas flow rate, reducing the capillary column film thickness and lowering the temperature programming rate. Pyrene is eluted at 287 degrees C in standard GC-MS with a 30 m x 0.25 mm I.D. column with 1-microm DB5ms film and 1-ml/min He column flow rate. In contrast, pyrene is eluted at 79 degrees C in our "Supersonic GC-MS" system using a 1 m x 0.25 mm I.D. column with 0.1-microm DB5ms film and 100-ml/min He column flow rate. A simple model has been invoked to explain the significantly (up to 208 degrees C) lower elution temperatures observed. According to this model, every halving of the temperature programming rate, or number of separation plates (either through increased flow rate or due to reduced column length), results in approximately 20 degrees C lower elution temperature. These considerably lower elution temperatures enable the analysis of an extended range of thermally labile and low volatility compounds, that otherwise could not be analyzed by standard GC-MS. We demonstrate the analysis of large polycyclic aromatic hydrocarbons (PAHs) such as decacyclene with ten fused rings, well above the current GC limit of PAHs with six rings. Even a metalloporphirin such as magnesiumoctaethylporphin was easily analyzed with elution temperatures below 300 degrees C. Furthermore, a range of thermally labile compounds were analyzed including carbamates such as methomyl, aldicarb, aldicarbsulfone and oxamyl, explosives such as pentaerythritol tetranitrate, Tetryl and HMX, and drugs such as reserpine (608 a.m.u.). Supersonic GC-MS was used, based on the coupling of a supersonic molecular beam (SMB) inlet and ion sources with a bench

Theoretical treatment of the spin-orbit coupling in the rare gas oxides NeO, ArO, KrO, and XeO

Science.gov (United States)

Langhoff, S. R.

1980-01-01

Off-diagonal spin-orbit matrix elements are calculated as a function of internuclear distance for the rare gas oxides NeO, ArO, KrO, and XeO using the full microscopic spin-orbit Hamiltonian, including all one- and two-electron integrals, and POL-CI wave functions comparable to those of Dunning and Hay (1977). A good agreement was found when comparing these results in detail with the calculations of Cohen, Wadt and Hay (1979) that utilize an effective one-electron one-center spin-orbit operator. For the rare gas oxide molecules, it is suggested that the numerical results are a more sensitive test of the wave functions (particularly to the extent of charge transfer) than the exact evaluation of all terms in the full spin-orbit operator.

The application of release models to the interpretation of rare gas coolant activities

International Nuclear Information System (INIS)

Wise, C.

1985-01-01

Much research is carried out into the release of fission products from UO 2 fuel and from failed pins. A significant application of this data is to define models of release which can be used to interpret measured coolant activities of rare gas isotopes. Such interpretation is necessary to extract operationally relevant parameters, such as the number and size of failures in the core and the 131 I that might be released during depressurization faults. The latter figure forms part of the safety case for all operating CAGRs. This paper describes and justifies the models which are used in the ANAGRAM program to interpret CAGR coolant activities, highlighting any remaining uncertainties. The various methods by which the program can extract relevant information from the measurements are outlined, and examples are given of the analysis of coolant data. These analyses point to a generally well understood picture of fission gas release from low temperature failures. Areas of higher temperature release are identified where further research would be beneficial to coolant activity analysis. (author)

Direct sample introduction-gas chromatography-mass spectrometry for the determination of haloanisole compounds in cork stoppers.

Science.gov (United States)

Cacho, J I; Nicolás, J; Viñas, P; Campillo, N; Hernández-Córdoba, M

2016-12-02

A solventless analytical method is proposed for analyzing the compounds responsible for cork taint in cork stoppers. Direct sample introduction (DSI) is evaluated as a sample introduction system for the gas chromatography-mass spectrometry (GC-MS) determination of four haloanisoles (HAs) in cork samples. Several parameters affecting the DSI step, including desorption temperature and time, gas flow rate and other focusing parameters, were optimized using univariate and multivariate approaches. The proposed method shows high sensitivity and minimises sample handling, with detection limits of 1.6-2.6ngg -1 , depending on the compound. The suitability of the optimized procedure as a screening method was evaluated by obtaining decision limits (CCα) and detection capabilities (CCβ) for each analyte, which were found to be in 6.9-11.8 and 8.7-14.8ngg -1 , respectively, depending on the compound. Twenty-four cork samples were analysed, and 2,4,6-trichloroanisole was found in four of them at levels between 12.6 and 53ngg -1 . Copyright © 2016 Elsevier B.V. All rights reserved.

Profiling of volatile organic compounds produced by clinical Aspergillus isolates using gas chromatography-mass spectrometry

NARCIS (Netherlands)

Gerritsen, M G; Brinkman, P; Escobar Salazar, Natalia; Bos, L D; de Heer, K; Meijer, M; Janssen, H-G; de Cock, H; Wösten, H A B; Visser, C.E.; van Oers, M H J; Sterk, P J

Volatile organic compounds (VOCs) in exhaled breath may identify the presence of invasive pulmonary aspergillosis. We aimed to detect VOC profiles emitted by in vitro cultured, clinical Aspergillus isolates using gas chromatography-mass spectrometry (GC-MS). Three clinical Aspergillus isolates and a

Profiling of volatile organic compounds produced by clinical Aspergillus isolates using gas chromatography-mass spectrometry

NARCIS (Netherlands)

Gerritsen, M. G.; Brinkman, P.; Escobar, N.; Bos, L. D.; de Heer, K.; Meijer, M.; Janssen, H.-G.; de Cock, H.; Wösten, H. A. B.; Visser, C. E.; van Oers, M. H. J.; Sterk, P. J.

2018-01-01

Volatile organic compounds (VOCs) in exhaled breath may identify the presence of invasive pulmonary aspergillosis. We aimed to detect VOC profiles emitted by in vitro cultured, clinical Aspergillus isolates using gas chromatography-mass spectrometry (GC-MS). Three clinical Aspergillus isolates and a

Improvement of organic compounds labelling method with the use of thermally activated tritium gas

International Nuclear Information System (INIS)

Nejman, L.A.; Smolyakov, V.S.; Antropova, L.P.

1982-01-01

Use of a support (various types of papers) is recommended for organic compounds labelling by tritium gas activated at a hot tungsten filament. This improvement increases chemical and radiochemical yields and makes the experiment simpler and faster. Generally labelled triethyloxonium tetra-fluoroborate, ethyl-p-aminobenzoate, p-aminobenzoic acid (Na-salt), A-factor (a natural regulator of streptomycin biosynthesis), decapeptide angiotensin I, phospholipid 1, 2 - dimyristoyl-sn-glycero-3--phosphocholine and E. coli tRNAs have been prepared by this method. Molar radioactivity of the labelled compounds is in the range of 1-200 GBg/mmole [ru

Identification of novel synthetic organic compounds with supersonic gas chromatography-mass spectrometry.

Science.gov (United States)

Fialkov, Alexander B; Amirav, Aviv

2004-11-26

Several novel synthetic organic compounds were successfully analyzed with a unique type of GC-MS titled Supersonic GC-MS following a failure in their analysis with standard GC-MS. Supersonic GC-MS is based on interfacing GC and MS with a supersonic molecular beam (SMB) and on electron ionization of sample compounds as vibrationally cold molecules while in the SMB, or by cluster chemical ionization. The analyses of novel synthetic organic compounds significantly benefited from the extended range of compounds amenable to analyses with the Supersonic GC-MS. The Supersonic GC-MS enabled the analysis of thermally labile compounds that usually degrade in the GC injector, column and/or ion source. Due to the high carrier gas flow rate at the injector liner and column these compounds eluted without degradation at significantly lower elution temperatures and the use of fly-through EI ion source eliminated any sample degradation at the ion source. The cold EI feature of providing trustworthy enhanced molecular ion (M+), complemented by its optional further confirmation with cluster CI was highly valued by the synthetic organic chemists that were served by the Supersonic GC-MS. Furthermore, the provision of extended mass spectral structural, isomer and isotope information combined with short (a few minutes) GC-MS analysis times also proved beneficial for the analysis of unknown synthetic organic compounds. As a result, the synthetic organic chemists were provided with both qualitative and quantitative data on the composition of their synthetic mixture, and could better follow the path of their synthetic chemistry. Ten cases of such analyses are demonstrated in figures and discussed.

Removal of nitrogen compounds from gasification gas by selective catalytic or non-catalytic oxidation; Typpiyhdisteiden poisto kaasutuskaasusta selektiivisellae katalyyttisellae ja ei-katalyyttisellae hapetuksella

Energy Technology Data Exchange (ETDEWEB)

Leppaelahti, J.; Koljonen, T. [VTT Energy, Espoo (Finland)

1996-12-01

In gasification reactive nitrogenous compounds are formed from fuel nitrogen, which may form nitrogen oxides in gas combustion. In fluidized bed gasification the most important nitrogenous compound is ammonia (NH{sub 3}). If ammonia could be decomposed to N{sub 2} already before combustion, the emissions if nitrogen oxides could be reduced significantly. One way of increasing the decomposition rate of NH{sub 3} could be the addition of suitable reactants to the gas, which would react with NH{sub 3} and produce N{sub 2}. The aim of this research is to create basic information, which can be used to develop a new method for removal of nitrogen compounds from gasification gas. The reactions of nitrogen compounds and added reactants are studied in reductive atmosphere in order to find conditions, in which nitrogen compounds can be oxidized selectively to N{sub 2}. The project consists of following subtasks: (1) Selective non-catalytic oxidation (SNCO): Reactions of nitrogen compounds and oxidizers in the gas phase, (2) Selective catalytic oxidation (SCO): Reactions of nitrogen compounds and oxidizers on catalytically active surfaces, (3) Kinetic modelling of experimental results in co-operation with the Combustion Chemistry Research Group of Aabo Akademi University. The most important finding has been that NH{sub 3} can be made to react selectively with the oxidizers even in the presence of large amounts of CO and H{sub 2}. Aluminium oxides were found to be the most effective materials promoting selectivity. (author)

Distribution of rare earths in liver of mice administered with chloride compounds of 12 rare earths

International Nuclear Information System (INIS)

Shinohara, A.; Chiba, M.; Inaba, Y.

1998-01-01

Full text: Rare earths are used in high technology field, however, the information on their biological effects are not sufficient. The behaviour of rare earths in biology is of interest in connection with their toxicity. In the present study, the distribution of rare earths in liver of mice administered with these elements was investigated. The effects on Ca and other biological essential elements were also determined. Male mice (5 weeks old) were injected with one of 12 kinds of rare earths (chlorides of Y, La, Ce, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er and Yb) at the dose of 25 mg/KXg body weight. After 20 hours of administration, mice were sacrificed, then liver and other organs were taken out. Liver was homogenized and separated by centrifugation. The concentrations of rare earths administered were measured by microwave-induced plasma-mass spectrometry (MIP-MS) after acid digestion. The concentrations of administered elements in whole liver were about 100μg/g (wet weight), where the difference between elements was few. Distribution amounts of elements administered in four fractions were following order; 700μg precipitate > mitocondrial fraction > microsomal fraction > cytosol. The relative contents in these fractions, however, was different depending on the element administered. Calcium concentrations in liver of administered mice were higher than those of control mice. Increase of Ca concentrations were observed in all four fractions and the increase ratio was also dependent on the elements administered

Saturation characteristics of liquid rare gas ionization chambers and recombination luminescence in liquid rare gas scintillation

International Nuclear Information System (INIS)

Takahashi, Tan; Konno, Satoshi; Kubota, Shinzo; Nakamoto, Jun; Miyajima, Mitsuhiro.

1978-01-01

From the saturation characteristics of liquid rare gases (Ar and Xe), the mean distance between electrons and ions. W-value, and the ratio of freely diffusion electrons were determined on the basis of the theory of Onsager. Their relationships with the scintillation due to recombination are also discussed. In the first part of this report, an analytic equation for the probability that an electron escapes from preferential recombination under the existence of an electric field is derived. The equation was then numerically solved with a computer code developed by Freeman. The adjusted parameters and the results of calculations for both Xe and Ar are presented together with the experimental results. Some discrepancy appeared between the analytical and the experimental results when the electric field was weak, and it is ascribable to the existence of the columnar (cluster) recombination and the effect of attachment due to the pulse method employed in the experiments. In the second part, the effect of electric field on the scintillation of liquid rare gases is considered, based on the theory of Onsager. (Aoki, K.)

Homoleptic Trivalent Tris(alkyl) Rare Earth Compounds.

Science.gov (United States)

Pindwal, Aradhana; Yan, KaKing; Patnaik, Smita; Schmidt, Bradley M; Ellern, Arkady; Slowing, Igor I; Bae, Cheolbeom; Sadow, Aaron D

2017-11-22

Homoleptic tris(alkyl) rare earth complexes Ln{C(SiHMe 2 ) 3 } 3 (Ln = La, 1a; Ce, 1b; Pr, 1c; Nd, 1d) are synthesized in high yield from LnI 3 THF n and 3 equiv of KC(SiHMe 2 ) 3 . X-ray diffraction studies reveal 1a-d are isostructural, pseudo-C 3 -symmetric molecules that contain two secondary Ln↼HSi interactions per alkyl ligand (six total). Spectroscopic assignments are supported by comparison with Ln{C(SiDMe 2 ) 3 } 3 and DFT calculations. The Ln↼HSi and terminal SiH exchange rapidly on the NMR time scale at room temperature, but the two motifs are resolved at low temperature. Variable-temperature NMR studies provide activation parameters for the exchange process in 1a (ΔH ⧧ = 8.2(4) kcal·mol -1 ; ΔS ⧧ = -1(2) cal·mol -1 K -1 ) and 1a-d 9 (ΔH ⧧ = 7.7(3) kcal·mol -1 ; ΔS ⧧ = -4(2) cal·mol -1 K -1 ). Comparisons of lineshapes, rate constants (k H /k D ), and slopes of ln(k/T) vs 1/T plots for 1a and 1a-d 9 reveal that an inverse isotope effect dominates at low temperature. DFT calculations identify four low-energy intermediates containing five β-Si-H⇀Ln and one γ-C-H⇀Ln. The calculations also suggest the pathway for Ln↼HSi/SiH exchange involves rotation of a single C(SiHMe 2 ) 3 ligand that is coordinated to the Ln center through the Ln-C bond and one secondary interaction. These robust organometallic compounds persist in solution and in the solid state up to 80 °C, providing potential for their use in a range of synthetic applications. For example, reactions of Ln{C(SiHMe 2 ) 3 } 3 and ancillary proligands, such as bis-1,1-(4,4-dimethyl-2-oxazolinyl)ethane (HMeC(Ox Me2 ) 2 ) give {MeC(Ox Me2 ) 2 }Ln{C(SiHMe 2 ) 3 } 2 , and reactions with disilazanes provide solvent-free lanthanoid tris(disilazides).

ANALYSIS AND IDENTIFICATION SPIKING CHEMICAL COMPOUNDS RELATED TO CHEMICAL WEAPON CONVENTION IN UNKNOWN WATER SAMPLES USING GAS CHROMATOGRAPHY AND GAS CHROMATOGRAPHY ELECTRON IONIZATION MASS SPECTROMETRY

Directory of Open Access Journals (Sweden)

Harry Budiman

2010-06-01

Full Text Available The identification and analysis of chemical warfare agents and their degradation products is one of important component for the implementation of the convention. Nowadays, the analytical method for determination chemical warfare agent and their degradation products has been developing and improving. In order to get the sufficient analytical data as recommended by OPCW especially in Proficiency Testing, the spiking chemical compounds related to Chemical Weapon Convention in unknown water sample were determined using two different techniques such as gas chromatography and gas chromatography electron-impact ionization mass spectrometry. Neutral organic extraction, pH 11 organic extraction, cation exchanged-methylation, triethylamine/methanol-silylation were performed to extract the chemical warfare agents from the sample, before analyzing with gas chromatography. The identification of chemical warfare agents was carried out by comparing the mass spectrum of chemicals with mass spectrum reference from the OPCW Central Analytical Database (OCAD library while the retention indices calculation obtained from gas chromatography analysis was used to get the confirmation and supported data of  the chemical warfare agents. Diisopropyl methylphosphonate, 2,2-diphenyl-2-hydroacetic acid and 3-quinuclidinol were found in unknown water sample. Those chemicals were classified in schedule 2 as precursor or reactant of chemical weapons compound in schedule list of Chemical Weapon Convention.   Keywords: gas chromatography, mass spectrometry, retention indices, OCAD library, chemical warfare agents

Interaction of intermetallic compounds formed by rare earths, scandium, yttrium and 3d-transition metals, with gaseous ammonia

International Nuclear Information System (INIS)

Shilkin, S.P.; Volkova, L.S.

1992-01-01

Interaction of the RT n intermetallic compounds, where R Sc, Y, rare earths, T = Fe, Co, Ni; n = 2,3,5, with gaseous ammonia under pressure of 1MPa and at temperatures of 293, 723 and 798 K is studied. It is established on the basis of roentgenographic studied, chemical analysis data, X-ray photoelectron spectroscopy and specific surface measurements that metallic matrixes of intermetallides decompose into nitrides and transition metal phases at temperatures of 723 and 798 K under effect of ammonia and independent of structural types of the source materials; partial or complete decomposition of intermetallides through ammonia with formation of transition metal mixture, binary hydrides and nitrides of the most electropositive metal the above systems occurs at the temperature of 293 K depending on the heat of the source compounds and their tendency to decomposition under ammonia effect

Quantification of Selected Vapour-Phase Compounds using Thermal Desorption-Gas Chromatography

Directory of Open Access Journals (Sweden)

McLaughlin DWJ

2014-12-01

Full Text Available A robust method for the analysis of selected vapour phase (VP compounds in mainstream smoke (MSS is described. Cigarettes are smoked on a rotary smoking machine and the VP that passes through the Cambridge filter pad collected in a TedlarA¯ bag. On completion of smoking, the bag contents are sampled onto an adsorption tube containing a mixed carbon bed. The tube is subsequently analysed on an automated thermal desorption (TD system coupled to a gas chromatography-flame ionization detector (GC-FID using a PoraPLOT-Q column. Quantification of 14 volatile compounds including the major carbonyls is achieved. Details of the method validation data are included in this paper. This method has been used to analyse the VP of cigarette MSS over a wide range of ‘tar’ deliveries and configurations with excellent repeatability. Results for the University of Kentucky reference cigarette 1R4F are in good agreement with reported values.

Crystal-fields at rare-earth sites in R2Fe14B compounds

International Nuclear Information System (INIS)

Adam, S.; Adam, G.; Burzo, E.

1985-12-01

Crystal-field effects are expected to be important in R 2 Fe 14 B compounds. Within a model-independent approach, it is proved that four distinct rare-earth sites exist with respect to the crystalline electric fields, namely, R(4f; z=0), R(4f; z=0.5 c), R(4g; z=0), and R(4g; z=0.5 c), and relationships are established between the corresponding crystal-fields coefficients. Further, generalized Stevens parametrizations of the crystal field coefficients are derived at three levels of approximation for the interatomic forces inside the crystal. A crystal lattice dressing effect upon the radial electronic integrals is found to occur, the magnitude of which depends on the deviation of the interatomic forces from Coulombian. Finally, computation of crystal-field coefficients in Nd 2 Fe 14 B leads to results which raise questions about the validity of the simple Coulomb point-charge model. (author)

HM{sup +}–RG complexes (M = group 2 metal; RG = rare gas): Physical vs. chemical interactions

Energy Technology Data Exchange (ETDEWEB)

Harris, Joe P.; Dodson, Hannah; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Breckenridge, W. H. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)

2015-04-21

Previous work on the HM{sup +}–He complexes (M = Be–Ra) has been extended to the cases of the heavier rare gas atoms, HM{sup +}–RG (RG = Ne–Rn). Optimized geometries and harmonic vibrational frequencies have been calculated using MP2 theory and quadruple-ζ quality basis sets. Dissociation energies for the loss of the rare gas atom have been calculated at these optimized geometries using coupled cluster with single and double excitations and perturbative triples, CCSD(T)theory, extrapolating interaction energies to the basis set limit. Comparisons are made between the present data and the previously obtained helium results, as well as to those of the bare HM{sup +} molecules; furthermore, comparisons are made to the related M{sup +}–RG and M{sup 2+}–RG complexes. Partial atomic charge analyses have also been undertaken, and these used to test a simple charge-induced dipole model. Molecular orbital diagrams are presented together with contour plots of the natural orbitals from the quadratic configuration with single and double excitations (QCISD) density. The conclusion is that the majority of these complexes are physically bound, with very little sharing of electron density; however, for M = Be, and to a lesser extent M = Mg, some evidence for chemical effects is seen in HM{sup +}–RG complexes involving RG atoms with the higher atomic numbers.

Temperature dependence of the particle/gas partition coefficient: An application to predict indoor gas-phase concentrations of semi-volatile organic compounds

Energy Technology Data Exchange (ETDEWEB)

Wei, Wenjuan, E-mail: Wenjuan.Wei@cstb.fr [University of Paris-Est, Scientific and Technical Center for Building (CSTB), Health and Comfort Department, French Indoor Air Quality Observatory (OQAI), 84 Avenue Jean Jaurès, Champs sur Marne, 77447 Marne la Vallée Cedex 2 (France); Mandin, Corinne [University of Paris-Est, Scientific and Technical Center for Building (CSTB), Health and Comfort Department, French Indoor Air Quality Observatory (OQAI), 84 Avenue Jean Jaurès, Champs sur Marne, 77447 Marne la Vallée Cedex 2 (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); LERES-Environment and Health Research Laboratory (Irset and EHESP Technologic Platform), Rennes (France); Blanchard, Olivier [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); Mercier, Fabien [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); LERES-Environment and Health Research Laboratory (Irset and EHESP Technologic Platform), Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); Pelletier, Maud [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); Le Bot, Barbara [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); LERES-Environment and Health Research Laboratory (Irset and EHESP Technologic Platform), Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); and others

2016-09-01

The indoor gas-phase concentrations of semi-volatile organic compounds (SVOCs) can be predicted from their respective concentrations in airborne particles by applying the particle/gas partitioning equilibrium. The temperature used for partitioning is often set to 25 °C. However, indoor temperatures frequently differ from this reference value. This assumption may result in errors in the predicted equilibrium gas-phase SVOC concentrations. To improve the prediction model, the temperature dependence of the particle/gas partition coefficient must be addressed. In this paper, a theoretical relationship between the particle/gas partition coefficient and temperature was developed based on the SVOC absorptive mechanism. The SVOC particle/gas partition coefficients predicted by employing the derived theoretical relationship agree well with the experimental data retrieved from the literature (R > 0.93). The influence of temperature on the equilibrium gas-phase SVOC concentration was quantified by a dimensionless analysis of the derived relationship between the SVOC particle/gas partition coefficient and temperature. The predicted equilibrium gas-phase SVOC concentration decreased by between 31% and 53% when the temperature was lowered by 6 °C, while it increased by up to 750% when the indoor temperature increased from 15 °C to 30 °C. - Highlights: • A theoretical relationship between K{sub p} and temperature was developed. • The relationship was based on the SVOC absorptive mechanism. • The temperature impact was quantified by a dimensionless analysis.

Direct observations of Biogenic Volatile Organic Compound (BVOC) Air-Sea Exchange in the remote North Atlantic from the High-Wind Gas-Exchange Study (HiWinGS)

Science.gov (United States)

Kim, M.; Yang, M. X.; Blomquist, B.; Huebert, B. J.; Bertram, T. H.

2014-12-01

Biogenic Volatile Organic Compounds (BVOCs) are reactive trace gases that impact both chemistry and climate by regulating oxidant loadings, determining secondary organic aerosol production rates as well as altering particle hygroscopicity. While continental BVOC exchange rates are well studied, global marine flux estimates are poorly constrained. In Fall 2013, a chemical-ionization time-of-flight mass spectrometer (CI-ToF-MS) utilizing benzene cations was deployed as part of the High Wind Gas Exchange Study (HiWinGs) to quantify monoterpenes, isoprene and dimethylsulfide fluxes in the remote North Atlantic. Dimethylsulfide measurements are in strong agreement with those determined by the University of Hawaii's atmospheric pressure ionization mass-spectrometer. In the remote marine boundary layer, positive monoterpene fluxes (i.e. emissions) were observed while isoprene levels rarely exceeded the detection limit.

Molecular gas species in the lunar atmosphere

International Nuclear Information System (INIS)

Hoffman, J.H.; Hodges, R.R. Jr.

1975-01-01

There is good evidence for the existence of very small amounts of methane, ammonia and carbon dioxide in the very tenuous lunar atmosphere which consists primarily of the rare gases helium, neon and argon. All of these gases, except 40 Ar, originate from solar wind particles which impinge on the lunar surface and are imbedded in the surface material. Here they may form molecules before being released into the atmosphere, or may be released directly, as is the case for rare gases. Evidence for the existence of the molecular gas species is based on the pre-dawn enhancement of the mass peaks attributable to these compounds in the data from the Apollo 17 Lunar Mass Spectrometer. Methane is the most abundant molecular gas but its concentration is exceedingly low, 1 x 10 3 mol cm -3 , slightly less than 36 Ar, whereas the solar wind flux of carbon is approximately 2000 times that of 36 Ar. Several reasons are advanced for the very low concentration of methane in the lunar atmosphere

Removal of halogenated organic compounds in landfill gas by top covers containing zero-valent iron

DEFF Research Database (Denmark)

Scheutz, Charlotte; Winther, K.; Kjeldsen, Peter

2000-01-01

Transformation of gaseous CCl3F and CCl4 by zero-valent iron was studied in systems unsaturated with water under anaerobic conditionssin an N2 gas and in a landfill gas atmosphere. The transformation was studied in batch as well as flow-through column tests. In both systems, the transformation....... During continuous aerobic conditions, the transformation of CCl3F decreased toward zero. Model calculations show that use of zero-valent iron in landfill top covers is a potential treatment technology for emission reduction of halogenated trace compounds from landfills....

Crystalline electric field at the rare-earth sites in RxY1-xCo5+y compounds (R= Dy and Tb)

International Nuclear Information System (INIS)

Han Xiufeng; Jin Hanmin; Chen Hong; Guo Guanghua; Zhao Tiesong

1992-01-01

The magnetic properties of R x Y 1-x Co 5+y compounds are reproduced well by a calculation based on the single-ion model. The values of the exchange field H cx and crystalline-electric-field parameters A m n at the rare-earth ion sites in R x Y 1-x Co 5+y (R = Dy and Tb) are evaluated by fitting the calculations to the experiments. The experiments include the temperature dependence of the spontaneous magnetization, the temperature dependence of the normalized magnetic moments of the rare-earth ions, the temperature dependence of the cone angle, the magnetization curves along the crystal axes at 4.2 K, and the hyperfine field at the Dy ion site

On fluorozirconates and fluorohafnates of rare earths

International Nuclear Information System (INIS)

Korenev, Yu.M.; Antipov, P.I.; Novoselova, A.V.

1980-01-01

It has been shown by the method of X-ray phase analysis that on interaction between rare-earth fluorides and zirconium and hafnium tetrafluorides, compounds with 1:1, 1:2, 1:3 molar ratios of components are formed. Compounds of the LnHfF 4 type are prepared for all rare-earths. Fluoro-metals of the LnHf 2 F 11 composition are typical only of light lanthanides from lanthanum to neodymium, while pentafluorated salts Ln(EF 5 ) 3 are formed in the reaction between EF 4 with fluorides of heavy rare-earth elements from samarium to lutecium, as well as with yttrium trifluoride. Parameters of unit cells of heptafluohafnates and pentafluometallates are determined

Formation and migration properties of the rare gases He, Ne, Ar, Ke, and Xe in nickel

International Nuclear Information System (INIS)

Melius, C.F.; Wilson, W.D.; Bisson, C.L.

1980-01-01

The energies of formation and migration of various rare gas-point defect complexes in an f.c.c. nickel lattice have been calculated for He, Ne, Ar, Kr, and Xe. Formation energies of rare gas atoms at interstitial sites are compared with those in substitutional sites. Binding energies are presented for self-interstitials and vacancies trapped to the various rare gas substitutionals. Migration energies and migration paths are also presented for various rare gas interstitials and substitutionals with and without trapped vacancies and self-interstitials. The migration energies are compared with the breakup energies for the corresponding complexes. It is found that divacancy-rare gas complexes are rather stable and will migrate at relatively low energies compared to other substitutional rare gas migration processes. (author)

Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

International Nuclear Information System (INIS)

Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V

2009-01-01

Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

Energy Technology Data Exchange (ETDEWEB)

Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V [Kazan State Technological University, Kazan (Russian Federation)

2009-10-31

Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

A Study on the Design of Novel Neutron Absorber Using Artificial Rare Earth Compound

Energy Technology Data Exchange (ETDEWEB)

Kim, Song Hyun; Shin, Chang Ho; Lee, Seung Hyun; Park, Jeia; Kim, Jong Kyung [Hanyang Univ., Seoul (Korea, Republic of); Kim, Soon Young [RADCORE Co., Ltd., Daejeon (Korea, Republic of); Park, Hwan Seo [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2013-10-15

The artificial rare earth compounds (RE{sub 2}O{sub 3}) generated by the result of the pyro-processing are radioactive wastes which have many long-live radionuclides. Due to the high and long-lived radioactivity of the article RE{sub 2}O{sub 3}, specific radiation shielding and disposal techniques are required. In this study, a simultaneous disposal method of the RE{sub 2}O{sub 3} with the spent fuels is proposed by reusing them for the neutron absorber. In this study, the neutron absorber based on artificial RE{sub 2}O{sub 3} compound was designed for the use in the spent fuel storage. The design of the storage racks for the WH 17Χ17 and PLUS7 spent fuel assemblies were designed and the criticalities were evaluated with the various RE{sub 2}O{sub 3} compositions. Also, the radioactivity and irradiation calculations were performed for the applicability and stability analyses of the neutron absorber into the spent fuel storage. The results show that the neutron absorber can sufficiently reduce the criticality under the regulation guideline. It is expected that the neutron absorber can contribute minimizing the disposal area of the radioactive wastes as well as the reducing the costs and resources for the using the other types of the neutron absorbers.

Flue gas corrosion through halogen compounds in fuel gas

Energy Technology Data Exchange (ETDEWEB)

Eisenmann, R

1987-04-01

The halogens of chlorine and fluorine greatly influence the corrosion speed of metal materials. If small quantities of chlorinated and/or fluorinated hydrocarbons are present in fuel gas like in landfill gas, they must not result in enhanced corrosion of gas appliances. Data from literature and the initial results of tests run by the author indicate that quantities at about 10 mg/cbm (in terms of chlorine) can be assumed not to cause any noticeable acceleration of corrosion speed.

Angular distributions of low kinetic energy photoelectrons in one- and two-photon ionisation of rare gas atoms

International Nuclear Information System (INIS)

O'Keeffe, P; Bolognesi, P; Avaldi, L; Richter, R; Moise, A; Cleva, P De; Mihelic, A

2012-01-01

The angular distributions of electrons emitted in the photoionisation of rare gas atoms using one and two photons are presented. The one-photon results show that these differential measurements can provide complementary information on the photoionisation event with respect to the measurement of the total absorption cross section while the two photon ionization allows additional parameters to be extracted from the experiments thus permitting a more complete description of the photoionisation dynamics.

Effect of rapid quenching on the magnetism and magnetocaloric effect of equiatomic rare earth intermetallic compounds RNi (R = Gd, Tb and Ho)

Energy Technology Data Exchange (ETDEWEB)

Rajivgandhi, R. [Department of Physics, Indian Institute of Technology Madras, Chennai 600 036 (India); Arout Chelvane, J. [Defence Metallurgical Research Laboratory, Hyderabad 500 058 (India); Quezado, S.; Malik, S.K. [Departamento de F’ısica Teorica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59072-970 (Brazil); Nirmala, R., E-mail: nirmala@physics.iitm.ac.in [Department of Physics, Indian Institute of Technology Madras, Chennai 600 036 (India)

2017-07-01

Highlights: • Melt-spinning yields microcrystalline RNi (R = Gd, Tb and Ho) samples with texture. • The texture-induced anisotropy affects magnetic and magnetocaloric properties. • Melt-spinning helps one engineer magnetocaloric effect in rare-earth compounds. - Abstract: Magnetocaloric effect (MCE) in RNi (where R = Gd, Tb and Ho) compounds has been studied in their arc-melted and melt-spun forms. The compound GdNi has the orthorhombic CrB-type structure (Space group Cmcm, No. 63) and the compound HoNi has the orthorhombic FeB-type structure (Space group Pnma, No. 62) at room temperature regardless of their synthesis condition. However, arc-melted TbNi orders in a monoclinic structure (Space group P2{sub 1}/m, No. 11) and when it is rapidly quenched to a melt-spun form, it crystallizes in an orthorhombic structure (Space group Pnma, No. 62). The arc-melted GdNi, TbNi and HoNi compounds order ferromagnetically at ∼69 K, ∼67 K and ∼36 K (T{sub C}) respectively. While the melt-spun GdNi shows about 6 K increase in T{sub C}, the ordering temperature of TbNi remains nearly the same in both arc-melted and melt-spun forms. In contrast, a reduction in T{sub C} by about 8 K is observed in melt-spun HoNi, when compared to its arc-melted counterpart. Isothermal magnetic entropy change, ∆S{sub m}, calculated from the field dependent magnetization data indicates an enhanced relative cooling power (RCP) for melt-spun GdNi for field changes of 20 kOe and 50 kOe. A lowered RCP value is observed in melt-spun TbNi and HoNi. These changes could have resulted from the competing shape anisotropy and the granular microstructure induced by the melt-spinning process. Tailoring the MCE of rare earth intermetallic compounds by suitably controlled synthesis techniques is certainly one of the directions to go forward in the search of giant magnetocaloric materials.

Thiocarbomide coordination compounds of yttrium subgroup rare earth chlorides

International Nuclear Information System (INIS)

Sakharova, Yu.G.; Perov, V.N.; Loginov, V.I.

1978-01-01

Thiocarbamide coordination compounds of chlorides of elements of the yttrium subgroup 4MeCl 3 x5Cs(NH 2 ) 2 x2OH 2 O (where Me stands for Tb, Dy, Ho, Er, Tm, Yb, Lu, Y) were produced for the first time. The compounds obtained are stable in air, have definite melting points, are highly soluble in methyl and ethyl alcohols, and are unstable in water. They recrystallize from ethyl alcohol without changing their chemical composition. The identity of these compounds was confirmed by X-ray analysis

A study on artificial rare earth (RE2O3) based neutron absorber

International Nuclear Information System (INIS)

KIM, Kyung-O; Kyung KIM, Jong

2015-01-01

A new concept of a neutron absorption material (i.e., an artificial rare earth compound) was introduced for criticality control in a spent fuel storage system. In particular, spent nuclear fuels were considered as a potential source of rare earth elements because the nuclear fission of uranium produces a full range of nuclides. It was also found that an artificial rare earth compound (RE 2 O 3 ) as a High-Level Waste (HLW) was naturally extracted from pyroprocessing technology developed for recovering uranium and transuranic elements (TRU) from spent fuels. In this study, various characteristics (e.g., activity, neutron absorption cross-section) were analyzed for validating the application possibility of this waste compound as a neutron absorption material. As a result, the artificial rare earth compound had a higher neutron absorption probability in the entire energy range, and it can be used for maintaining sub-criticality for more than 40 years on the basis of the neutron absorption capability of Boral™. Therefore, this approach is expected to vastly improve the efficiency of radioactive waste management by simultaneously keeping HLW and spent nuclear fuel in a restricted space. - Highlights: • Quantitative analysis of rare earth elements in PWR spent fuels. • Extraction of artificial rare earth compound using pyroprocessing technology. • Characteristic analysis of artificial rare earth elements. • Performance evaluation of artificial rare earth for criticality control.

Quantum Theory of Rare-Earth Magnets

Science.gov (United States)

Miyake, Takashi; Akai, Hisazumi

2018-04-01

Strong permanent magnets mainly consist of rare earths (R) and transition metals (T). The main phase of the neodymium magnet, which is the strongest magnet, is Nd2Fe14B. Sm2Fe17N3 is another magnet compound having excellent magnetic properties comparable to those of Nd2Fe14B. Their large saturation magnetization, strong magnetocrystalline anisotropy, and high Curie temperature originate from the interaction between the T-3d electrons and R-4f electrons. This article discusses the magnetism of rare-earth magnet compounds. The basic theory and first-principles calculation approaches for quantitative description of the magnetic properties are presented, together with applications to typical compounds such as Nd2Fe14B, Sm2Fe17N3, and the recently synthesized NdFe12N.

Experimental study of single-electron loss by Ar+ ions in rare-gas atoms

Science.gov (United States)

Reyes, P. G.; Castillo, F.; Martínez, H.

2001-04-01

Absolute differential and total cross sections for single-electron loss were measured for Ar+ ions on rare-gas atoms in the laboratory energy range of 1.5 to 5.0 keV. The electron loss cross sections for all the targets studied are found to be in the order of magnitude between 10-19 and 10-22 cm2, and show a monotonically increasing behaviour as a function of the incident energy. The behaviour of the total single-electron loss cross sections with the atomic target number, Zt, shows different dependences as the collision energy increases. In all cases the present results display experimental evidence of saturation in the single-electron loss cross section as the atomic number of the target increases.

Evaluation of supercritical fluid extraction/gas chromatography/matrix isolation-infrared spectrometry for analysis of organic compounds

International Nuclear Information System (INIS)

Bopari, A.S.; Bierma, D.R.; Applegate, D.V.

1991-01-01

Analysis of soil samples for organic compounds typically first requires Soxhlet extraction or sonication. These processes are time consuming and generate large amounts of waste solvent. Supercritical fluid extraction (SFE), which uses a supercritical fluid such as carbon dioxide, has recently been shown to extract organic compounds from soil samples in good yields. Moreover, SFE does not generate waste solvent and can be performed rapidly. Gas Chromatography/Matrix Isolation-Infrared Spectrometry (GC/MI-IR) has been used in our laboratories for determining organic compounds present in extracts from various matrices. The authors have interfaced an SFE extraction apparatus to GC/MI-IR instruments. In this paper the utility of SPE/GC/MI-IR instrumentation is discussed

Volatile organic compound emissions from the oil and natural gas industry in the Uintah Basin, Utah: oil and gas well pad emissions compared to ambient air composition

Science.gov (United States)

Warneke, C.; Geiger, F.; Edwards, P. M.; Dube, W.; Pétron, G.; Kofler, J.; Zahn, A.; Brown, S. S.; Graus, M.; Gilman, J. B.; Lerner, B. M.; Peischl, J.; Ryerson, T. B.; de Gouw, J. A.; Roberts, J. M.

2014-10-01

Emissions of volatile organic compounds (VOCs) associated with oil and natural gas production in the Uintah Basin, Utah were measured at a ground site in Horse Pool and from a NOAA mobile laboratory with PTR-MS instruments. The VOC compositions in the vicinity of individual gas and oil wells and other point sources such as evaporation ponds, compressor stations and injection wells are compared to the measurements at Horse Pool. High mixing ratios of aromatics, alkanes, cycloalkanes and methanol were observed for extended periods of time and for short-term spikes caused by local point sources. The mixing ratios during the time the mobile laboratory spent on the well pads were averaged. High mixing ratios were found close to all point sources, but gas well pads with collection and dehydration on the well pad were clearly associated with higher mixing ratios than other wells. The comparison of the VOC composition of the emissions from the oil and natural gas well pads showed that gas well pads without dehydration on the well pad compared well with the majority of the data at Horse Pool, and that oil well pads compared well with the rest of the ground site data. Oil well pads on average emit heavier compounds than gas well pads. The mobile laboratory measurements confirm the results from an emissions inventory: the main VOC source categories from individual point sources are dehydrators, oil and condensate tank flashing and pneumatic devices and pumps. Raw natural gas is emitted from the pneumatic devices and pumps and heavier VOC mixes from the tank flashings.

Molecular analysis of petroleum derived compounds that adsorb onto gas hydrate surfaces

International Nuclear Information System (INIS)

Borgund, Anna E.; Hoiland, Sylvi; Barth, Tanja; Fotland, Per; Askvik, Kjell M.

2009-01-01

Field observations have shown that some streams of water, gas and crude oil do not form gas hydrate plugs during petroleum production even when operating within thermodynamic conditions for hydrate formation. Also, when studied under controlled laboratory conditions, some oils are found to form hydrate dispersed systems whereas others form plugs. Oils with low tendency to form hydrate plugs are believed to contain natural hydrate plug inhibiting components (NICs) that adsorb onto the hydrate surface, making them less water-wet and preventing the particles from agglomerating into large hydrate clusters. The molecular structure of the NICs is currently unknown. In this work, hydrate adsorbing components were extracted from crude oils using freon hydrates as an extraction phase. The fractions were found to be enriched in polar material, and more polar material is associated with hydrates generated in biodegraded crude oils than in non-biodegraded oils. Various fractionation schemes and analytical techniques have been applied in the search for molecular characterisation. The average molecular weights were found to be approximately 500 g/mole. GC-MS chromatograms show a large UCM (Unresolved Complex Mixture). Thus, GC-MS has a limited potential for identification of compounds. A commercial biosurfactant was used as a model compound in the search for similar structures in the extracts. The results from analysis of the hydrate adsorbing components suggest that the type and structure are more important for hydrate morphology than the amount of material adsorbed.

Recovery of lead-208 radiogenic of residues of thorium with rare earth

International Nuclear Information System (INIS)

Ferreira, J.C.; Freitas, A.A. de; Seneda, J.A.F.; Carvalho, M.S. de; Abrao, A.

2008-01-01

In the middle of the years 1970 in IPEN, considerable work for the purification and conversion of uranium and thorium project, the production of thorium nitrate, a pilot scale from different compounds of Thorium was accomplished; This installation of thorium nitrate produced for national marketing, given the industry of incandescent lighting gas mangles.. The method used by this installation was the purification by solvent extraction with pulsed columns. The thorium was in the organic phase, which was reversed as of thorium nitrate with a high degree of purity. The aqueous phase of this chemical process, containing impurities, some not extracted thorium and virtually all rare earths was precipitated in the form of a hydroxide. This was called RETOTER hydroxide (residue of Thorium and Rare Earth). This residue containing thorium, rare earth and some impurities such as lead-208 product of the decay of thorium-232 were stored in the shed of safeguarding IPEN for further recovery of thorium and rare earth. In this work was studied the recovery of lead-208, nuclear material of interest, separating it by the technique of cementation , where it adds zinc metallic to an acid solution of RETOTER, holding up the lead on the surface of the metallic zinc. (author)

Rare gases in Samoan xenoliths

Science.gov (United States)

Poreda, R. J.; Farley, K. A.

1992-09-01

The rare gas isotopic compositions of residual harzburgite xenoliths from Savai'i (SAV locality) and an unnamed seamount south of the Samoan chain (PPT locality) provide important constraints on the rare gas evolution of the mantle and atmosphere. Despite heterogeneous trace element compositions, the rare gas characteristics of the xenoliths from each of the two localities are strikingly similar. SAV and PPT xenoliths have 3He/ 4He ratios of11.1 ± 0.5 R A and21.6 ± 1 R A, respectively; this range is comparable to the 3He/ 4He ratios in Samoan lavas and clearly demonstrates that they have trapped gases from a relatively undegassed reservoir. The neon results are not consistent with mixing between MORB and a plume source with an atmospheric signature. Rather, the neon isotopes reflect either a variably degassed mantle (with a relative order of degassing of Loihi Honda et al. that the 20Ne/ 22Ne ratio in the mantle more closely resembles the solar ratio than the atmospheric one. 40Ar/ 36Ar ratios in the least contaminated samples range from 4,000 to 12,000 with the highest values in the 22 RA PPT xenoliths. There is no evidence for atmospheric 40Ar/ 36Ar ratios in the mantle source of these samples, which indicates that the lower mantle may have 40Ar/ 36Ar ratios in excess of 5,000. Xenon isotopic anomalies in 129Xe and 136Xe are as high as 6%, or about half of the maximum MORB excess and are consistent with the less degassed nature of the Samoan mantle source. These results contradict previous suggestions that the high 3He/ 4He mantle has a near-atmospheric heavy rare gas isotopic composition.

Determination of active oxygen content in rare earth peroxides

International Nuclear Information System (INIS)

Queiroz, Carlos A.S.; Abrao, Alcidio

1993-01-01

The content of active oxygen in rare earth peroxides have been determined after the dissolution of the samples with hydrocloridic acid in the presence of potassium iodide. The free generated iodine is titrated with sodium thiosulfate using starch as indicator. The oxidation of iodide to the free iodine indicates the presence of a higher valence state rare earth oxide, until now specifically recognized for the oxides of cerium (Ce O 2 ), praseodymium (Pr 6 O 1 1) and terbium (TB 4 O 7 ). recently the authors synthesized a new series of rare earth compounds, the peroxides. These new compounds were prepared by precipitating the rare earth elements complexed with carbonate ion by addition of hydrogen peroxide. the authors demonstrated that all rare earth elements, once solubilized by complexing with carbonate ion, are quantitatively precipitated as peroxide by addition of hydrogen peroxide. (author)

Identification of Aroma-active Compounds in Essential Oil from Uncaria Hook by Gas Chromatography- Mass Spectrometry and Gas Chromatography-Olfactometry.

Science.gov (United States)

Iwasa, Megumi; Nakaya, Satoshi; Maki, Yusuke; Marumoto, Shinsuke; Usami, Atsushi; Miyazawa, Mitsuo

2015-01-01

The chemical composition of essential oil extracted from Uncaria Hook ("Chotoko" in Japanese), the branch with curved hook of the herbal medicine Uncaria rhynchophylla has been investigated by GC and GC-MS analyses. Eighty-four compounds, representing 90.8% of the total content was identified in oil obtained from Uncaria Hook. The main components i were (E)-cinnamaldehyde (13.4%), α-copaene (8.0%), methyl eugenol (6.8%), δ-cadinene (5.3%), and curcumene (3.6%). The important key aroma-active compounds in the oil were detected by gas chromatography-olfactometry (GC-O) and aroma extract dilution analysis (AEDA), using the flavor dilution (FD) factor to express the odor potency of each compounds. Furthermore, the odor activity value (OAV) has been used as a measure of the relative contribution of each compound to the aroma of the Uncaria Hook oil. The GC-O and AEDA results showed that α-copaene (FD = 4, OAV = 4376), (E)-linalool oxide (FD = 64, OAV = 9.1), and methyl eugenol (FD = 64, OAV = 29) contributed to the woody and spicy odor of Uncaria Hook oil, whereas furfural (FD = 8, OAV = 4808) contributed to its sweet odor. These results warrant further investigations of the application of essential oil from Uncaria Hook in the phytochemical and medicinal fields.

Pressure dependence of emission intensity of rare-gas excimer light produced by silent discharge; Teikiatsu ryoiki ni okeru musei hoden reiki ki gas excimer hikari shutsuryoku no atsuryoku izonsei

Energy Technology Data Exchange (ETDEWEB)

Yoshida, Y.; Tanaka, M.; Yukimura, K. [Doshisha University, Kyoto (Japan)

1996-09-20

To establish the pressure dependence of silent discharge excited rare gas excimer light emission, a vacua ultraviolet light was subjected to spectroscopic analysis at a pressure lower than 20kPa. Researches are under way to apply the discharge excited rare gas excimer lamp as a vacuum ultraviolet light source for the development of new materials and for the conservation of environments. When the pressure is as low as 1.8kPa or 4.4kPa, the emission has peaks at wavelengths centering on 147nm and 149nm, both of which are the resonance lines of the xenon atom. Excimer generation becomes prominent as the pressure increases, with the second continuum of light growing dominant at 35kPa to weaken relatively the resonance lines and the first continuum of light. In the first continuum, emission increases only at a suppressed rate, as compared with emission in the second continuum, due for instance to a collision caused relaxation process in which excimers are lost. In the case of xenon in the vicinity of 10-11kPa, the first continuum of light and the second continuum of light are approximately equal in emission intensity, producing a vacuum ultraviolet light source with a bandwidth relatively large for a single gas spectrum. 14 refs., 11 figs.

Chlorination of some eliphatic organic compounds in liquid and gas phase

International Nuclear Information System (INIS)

Hassan, A.A.

1990-01-01

The photochlorination of different organic compounds and the relative slectivities of different positions have been investigated in both gaseous and liquid phases at different temperatures. The results have shown that the relative selectivity generally decreased with increasing temperature and in the gas phase has a higher value. Polar solvents increase the selectivity relative to the chlorination of pure liquid phases. The differences in activation energy between two positions were much higher in the gas phases chlorination, relative to that in the liquid phase. It was also found that the functional groups have great influence on the rate of chlorine free radical attack on different positions, for example the electron withdrawing groups decreasing the selectivity on the first position, but the electron donating groups increase the selectivity on the first position, but the electron donating groups increase the selectivity on the first position. Furthermore it was found that the polar solvents, which stabilize the resonance between oxygen and carbon atoms, increases the selectivity on that position. 23 tabs.; 16 figs.; 50 refs

Crystal chemistry and magnetic properties of ternary rare earth sulfides

International Nuclear Information System (INIS)

Plug, C.M.; Rijksuniversiteit Leiden

1977-01-01

The results of magnetic measurements on two groups of ternary rare earth sulphides are described, the MLnS 2 (M=Li, Na, K) type of compounds and the series Ln 2 ZrS 5 , where Ln denotes one of the rare earths. None of these compounds is metallic, excluding the possibility of RKKY-interaction. In chapter II a survey of the relevant theory on magnetic properties and crystal field splitting is given. In spite of the similarity in chemical properties of the rare earths, the crystal chemistry of their compounds is rather complex. This is due to the lanthanide contraction. The third chapter deals with the description and classification of the numerous crystal structures of both ternary and binary rare earth sulphides that have been observed. Rather simple relations between various structures are presented using a new method of structure classification. The magnetic interactions expected to be based on superexchange via the anions, which is usually very structure dependent. Experiments to study the crystallographic ordering, applying both X-ray and electron diffraction methods and the results of the magnetic measurements on the compounds MLnS 2 are reported in chapter IV. The compounds Ln 2 ZrS 5 are candidates for a systematic study of the variation of the magnetic properties along the rare earth series. The results of magnetic measurements on these compounds are presented in chapter V, combined with the results of specific heat measurements. Also the magnetic structure of two representatives, Tb 2 ZrS 5 and Dy 2 ZrS 5 , determined by neutron diffraction experiments below the ordering temperature, is reported

Rare earth metals for automotive exhaust catalysts

International Nuclear Information System (INIS)

Shinjoh, Hirohumi

2006-01-01

The usage of rare earth metals for automotive exhaust catalysts is demonstrated in this paper. Rare earth metals have been widely used in automotive catalysts. In particular, three-way catalysts require the use of ceria compounds as oxygen storage materials, and lanthana as both a stabilizer of alumina and a promoter. The application for diesel catalysts is also illustrated. Effects of inclusion of rare earth metals in automotive catalysts are discussed

Structure and electronic properties of ordered binay thin-film compounds of rare earths with transition metals

International Nuclear Information System (INIS)

Schneider, W.

2004-01-01

The present thesis deals with preparation of structurally ordered thin-film compounds of the rare-earths Ce and Dy with the transition metals Pd, Rh, and Ni as well as with investigations of their crystalline and electronic structures. Typically 10 nm-thick films were grown in-situ by deposition of the rare-earth metals onto single crystalline transitionmetal substrates or alternatively by codeposition of both constituents onto a W(110) single crystal. In both cases deposition was followed by short-term annealing at temperatures of 400-1000 C to achieve crystalline order. The latter was analyzed by means of low-energy electron-diffraction (LEED) and evaluated on the basis of a simple kinematic theory. The electronic structure was investigated by means of angle-resolved photoemission (ARPES), partially exploiting synchrotron radiation from BESSY. The studies concentrate mainly on the behavior of the valence bands as a function of structure and composition of the thin films, particularly under consideration of surface phenomena. Measured energy dispersions were compared with results of LDA-LCAO calculations performed in the framework of this thesis. Observed shifts of the energy bands by up to 1 eV are attributed in the light of a simple model to incomplete screening of the photoemission final states. (orig.)

Prospects of Optical Single Atom Detection in Noble Gas Solids for Measurements of Rare Nuclear Reactions

Science.gov (United States)

Singh, Jaideep; Bailey, Kevin G.; Lu, Zheng-Tian; Mueller, Peter; O'Connor, Thomas P.; Xu, Chen-Yu; Tang, Xiaodong

2013-04-01

Optical detection of single atoms captured in solid noble gas matrices provides an alternative technique to study rare nuclear reactions relevant to nuclear astrophysics. I will describe the prospects of applying this approach for cross section measurements of the ^22Ne,,),25Mg reaction, which is the crucial neutron source for the weak s process inside of massive stars. Noble gas solids are a promising medium for the capture, detection, and manipulation of atoms and nuclear spins. They provide stable and chemically inert confinement for a wide variety of guest species. Because noble gas solids are transparent at optical wavelengths, the guest atoms can be probed using lasers. We have observed that ytterbium in solid neon exhibits intersystem crossing (ISC) which results in a strong green fluorescence (546 nm) under excitation with blue light (389 nm). Several groups have observed ISC in many other guest-host pairs, notably magnesium in krypton. Because of the large wavelength separation of the excitation light and fluorescence light, optical detection of individual embedded guest atoms is feasible. This work is supported by DOE, Office of Nuclear Physics, under contract DE-AC02-06CH11357.

Tuning the Origin of Magnetic Relaxation by Substituting the 3d or Rare-Earth Ions into Three Isostructural Cyano-Bridged 3d-4f Heterodinuclear Compounds.

Science.gov (United States)

Zhang, Yan; Guo, Zhen; Xie, Shuang; Li, Hui-Li; Zhu, Wen-Hua; Liu, Li; Dong, Xun-Qing; He, Wei-Xun; Ren, Jin-Chao; Liu, Ling-Zhi; Powell, Annie K

2015-11-02

Three isostructural cyano-bridged 3d-4f compounds, [YFe(CN)6(hep)2(H2O)4] (1), [DyFe(CN)6(hep)2(H2O)4] (2), and [DyCo(CN)6(hep)2(H2O)4] (3), were successfully assembled by site-targeted substitution of the 3d or rare-earth ions. All compounds have been structurally characterized to display slightly distorted pentagonal-bipyramidal local coordination geometry around the rare-earth ions. Magnetic analyses revealed negligible magnetic coupling in compound 1, antiferromagnetic intradimer interaction in 2, and weak ferromagnetic coupling through dipolar-dipolar interaction in 3. Under an applied direct-current (dc) field, 1 (Hdc = 2.5 kOe, τ0 = 1.3 × 10(-7) s, and Ueff/kB = 23 K) and 3 (Hdc = 2.0 kOe, τ0 = 7.1 × 10(-11) s, and Ueff/kB = 63 K) respectively indicated magnetic relaxation behavior based on a single [Fe(III)]LS ion and a Dy(III) ion; nevertheless, 2 (Hdc = 2.0 kOe, τ0 = 9.7 × 10(-8) s, and Ueff/kB = 23 K) appeared to be a single-molecule magnet based on a cyano-bridged DyFe dimer. Compound 1, which can be regarded as a single-ion magnet of the [Fe(III)]LS ion linked to a diamagnetic Y(III) ion in a cyano-bridged heterodimer, represents one of the rarely investigated examples based on a single Fe(III) ion explored in magnetic relaxation behavior. It demonstrated that the introduction of intradimer magnetic interaction of 2 through a cyano bridge between Dy(III) and [Fe(III)]LS ions negatively affects the energy barrier and χ″(T) peak temperature compared to 3.

Magnetic properties of compounds Ba/sub 3/Fesub(2-x)Msub(x)UO/sub 9/ with M=Y, Sc, In and rare earth

Energy Technology Data Exchange (ETDEWEB)

Grenet, J C; Berthon, J [Paris-11 Univ., 91 - Orsay (France); Poix, P [Ecole Nationale Superieure de Chimie, 67 - Strasbourg (France)

1979-01-01

The compounds Ba/sub 3/Fesub(2-x)Msub(x)UO/sub 9/ crystallize in the perovskite type system. The magnetic behavior of these compounds is different when M/sup 3 +/ is dia- or paramagnetic. When M/sup 3 +/ is diamagnetic, the magnetic exchange interaction between A and B sublattices is strongly antiferromagnetic, the (UO/sub 6/)/sup 6 -/ clusters having a special effect. When M/sup 3 +/ is paramagnetic, the perovskite compounds have three magnetic sublattices. In the third one are placed rare earth ions M/sup 3 +/; in this case the A-B exchange interactions are antiferromagnetic but the interactions with the third sublattice are probably slightly ferromagnetic. This special feature and the fact that a temperature of compensation is missing differentiate these perovskites from the garnets.

Determination of some volatile compounds in alcoholic beverage by headspace solid-phase microextraction gas chromatography - mass spectrometry

Science.gov (United States)

Schmutzer, G.; Avram, V.; Feher, I.; David, L.; Moldovan, Z.

2012-02-01

The volatile composition of alcoholic beverage was studied by headspace solid-phase microextraction (HSSPME) method and gas chromatography - mass spectrometry (GC-MS). Some volatile compounds, such as alcohols, esters, terpenes and other are mainly responsible for the flavor of fortified wines and their amounts specify the quality of the alcoholic beverages. From this perspective it is interesting to develop a rapid, selective and sensitive analytical method suitable for simultaneous quantification of the main molecules being responsible for the organoleptic characteristic of alcoholic beverages. Vermouth fortified drink was analyzed in order to characterize the volatile profile. Using the HS-SPME/GC-MS a number of twenty-six volatile compounds from a commercial market alcoholic beverage were identified. The most abundant compounds were m-thymol, o-thymol and eugenol, alongside of the ethyl ester compounds.

XPS and XAES measurements on trapped rare gases in transition metals

International Nuclear Information System (INIS)

Baba, Y.; Yamamoto, H.; Sasaki, T.A.

1992-01-01

Electronic structures of rare gases implanted in various transition metals have been investigated by means of an X-ray photoelectron spectroscopy (XPS) and X-ray-induced Auger electron spectroscopy (XAES). The Auger-parameter method is applied to the evaluation of electronic relaxation energy of rare gas atoms due to the surrounding metal potential. The extra-atomic relaxation energy of four kinds of rare gases (Ne, Ar, Kr, Xe) in the same metal matrix (Ti) increases with the atomic mass of the rare gases. On the other hand, the extra-atomic relaxation energy of the same rare gas (Xe) in different metal matrices ranges from 3.0 eV (in Mo). These values increase with the number of d-electrons in the metals. This tendency and the absolute values of the relaxation energies are in good agreement with those calculated for 3d transition metals referenced to their gas-phase values. Based on these results, it is concluded that the energetically implanted rare gases are trapped at the substitution site in the metal lattice as an isolated atom, and the trapped atoms feel the surrounding metal potential. It is also made clear that the potential affecting the implanted atom is d-like, and the relaxation energy of the implanted rare gas during the photoemission process is almost equal to those of the metal itself. (orig.)

Mangrove rare actinobacteria: taxonomy, natural compound, and discovery of bioactivity

OpenAIRE

Azman, Adzzie-Shazleen; Othman, Iekhsan; Velu, Saraswati S.; Chan, Kok-Gan; Lee, Learn-Han

2015-01-01

Actinobacteria are one of the most important and efficient groups of natural metabolite producers. The genus Streptomyces have been recognized as prolific producers of useful natural compounds as they produced more than half of the naturally-occurring antibiotics isolated to-date and continue as the primary source of new bioactive compounds. Lately, Streptomyces groups isolated from different environments produced the same types of compound, possibly due to frequent genetic exchanges between ...

Synthesis and Gas Phase Thermochemistry of Germanium-Containing Compounds

Energy Technology Data Exchange (ETDEWEB)

Classen, Nathan Robert [Iowa State Univ., Ames, IA (United States)

2002-01-01

The driving force behind much of the work in this dissertation was to gain further understanding of the unique olefin to carbene isomerization observed in the thermolysis of 1,1-dimethyl-2-methylenesilacyclobutane by finding new examples of it in other silicon and germanium compounds. This lead to the examination of a novel phenylmethylenesilacyclobut-2-ene, which did not undergo olefin to carbene rearrangement. A synthetic route to methylenegermacyclobutanes was developed, but the methylenegermacyclobutane system exhibited kinetic instability, making the study of the system difficult. In any case the germanium system decomposed through a complex mechanism which may not include olefin to carbene isomerization. However, this work lead to the study of the gas phase thermochemistry of a series of dialkylgermylene precursors in order to better understand the mechanism of the thermal decomposition of dialkylgermylenes. The resulting dialkylgermylenes were found to undergo a reversible intramolecular β C-H insertion mechanism.

Characterization of the Key Aroma Compounds in Chinese Syrah Wine by Gas Chromatography-Olfactometry-Mass Spectrometry and Aroma Reconstitution Studies.

Science.gov (United States)

Zhao, Pengtao; Gao, Jinxin; Qian, Michael; Li, Hua

2017-06-24

The key aroma compounds and the organoleptic quality of two Chinese Syrah wines from the Yunnan Shangri-La region and Ningxia Helan mountain region were characterized. The most important eighty aroma-active compounds were identified by Gas Chromatography-Olfactometry. In both Syrah samples, ethyl 2-methylpropanoate, ethyl 3-methylbutanoate, 3-methylbutyl acetate, 2- and 3-methyl-1-butanol, ethyl hexanoate, ethyl octanoate, 2-phenethyl acetate, methional, 3-methylbutanoic acid, hexanoic acid, octanoic acid, β -damascenone, guaiacol, 2-phenylethanol, trans -whiskylactone, 4-ethylguaiacol, eugenol, 4-ethylphenol, and sotolon were detected to have the highest odor intensities. In the chemical analysis, 72 compounds were quantitated by Stir Bar Sorptive Extraction combined with Gas Chromatography Mass Spectrometry. Based on the Odor Activity Value (OAV), the aromas were reconstituted by combining aroma compounds in the synthetic wine, and sensory descriptive analysis was used to verify the chemical data. Fatty acid ethyl esters, acetate esters, and β -damascenone were found with higher OAVs in the more fruity-smelling sample of Helan Mountain rather than Shangri-La.

Effects of gas–wall partitioning in Teflon tubing and instrumentation on time-resolved measurements of gas-phase organic compounds

Directory of Open Access Journals (Sweden)

D. Pagonis

2017-12-01

Full Text Available Recent studies have demonstrated that organic compounds can partition from the gas phase to the walls in Teflon environmental chambers and that the process can be modeled as absorptive partitioning. Here these studies were extended to investigate gas–wall partitioning of organic compounds in Teflon tubing and inside a proton-transfer-reaction mass spectrometer (PTR-MS used to monitor compound concentrations. Rapid partitioning of C8–C14 2-ketones and C11–C16 1-alkenes was observed for compounds with saturation concentrations (c∗ in the range of 3 × 104 to 1 × 107 µg m−3, causing delays in instrument response to step-function changes in the concentration of compounds being measured. These delays vary proportionally with tubing length and diameter and inversely with flow rate and c∗. The gas–wall partitioning process that occurs in tubing is similar to what occurs in a gas chromatography column, and the measured delay times (analogous to retention times were accurately described using a linear chromatography model where the walls were treated as an equivalent absorbing mass that is consistent with values determined for Teflon environmental chambers. The effect of PTR-MS surfaces on delay times was also quantified and incorporated into the model. The model predicts delays of an hour or more for semivolatile compounds measured under commonly employed conditions. These results and the model can enable better quantitative design of sampling systems, in particular when fast response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. They may also allow estimation of c∗ values for unidentified organic compounds detected by mass spectrometry and could be employed to introduce differences in time series of compounds for use with factor analysis methods. Best practices are suggested for sampling organic compounds through Teflon tubing.

Chemical composition and acaricide activity of an essential oil from a rare chemotype of Cinnamomum verum Presl on Rhipicephalus microplus (Acari: Ixodidae).

Science.gov (United States)

Monteiro, Ildenice Nogueira; Monteiro, Odair Dos Santos; Costa-Junior, Lívio Martins; da Silva Lima, Aldilene; Andrade, Eloisa Helena de Aguiar; Maia, José Guilherme Soares; Mouchrek Filho, Victor Elias

2017-04-30

The Essential Oils (EOs) from the leaves of species Cinnamomum verum J. Presl are used in the pharmaceutical industry for their numerous biological activities. Currently, the main compound of C. verum EO is eugenol which has acaricidal activity; however, a rare chemotype with benzyl benzoate as the main component can be found. Benzyl benzoate is recognized as an acaricide; however, studies of the C. verum EOs benzyl benzoate chemotype on Rhipicephalus microplus were not reported. The aim of this study was to evaluate the acaricide activity of an EO from a rare chemotype of C. verum, as well as purified benzyl benzoate, against larvae and engorged females of R. microplus resistant to amidines and pyrethroids. The EO was extracted from C. verum leaves and the compounds present were identified using a gas phase chromatograph coupled to a mass spectrometer. Efficacy against R. microplus was assessed by the larval packet and the engorged female immersion tests. A rare chemotype of C. verum was found to produce EOs with benzyl benzoate (65.4%) as the main compound. The C. verum essential oil was 3.3 times more efficient on the R. microplus larvae than was benzyl benzoate. However, no differences were found on the R. microplus engorged females. This is the first report regarding the acaricidal activity of C. verum with chemotype benzyl benzoate, and this compound showed acaricidal activity on R. microplus larvae. Copyright © 2017 Elsevier B.V. All rights reserved.

Real-Time Measurements of Gas/Particle Partitioning of Semivolatile Organic Compounds into Different Probe Particles in a Teflon Chamber

Science.gov (United States)

Liu, X.; Day, D. A.; Ziemann, P. J.; Krechmer, J. E.; Jimenez, J. L.

2017-12-01

The partitioning of semivolatile organic compounds (SVOCs) into and out of particles plays an essential role in secondary organic aerosol (SOA) formation and evolution. Most atmospheric models treat the gas/particle partitioning as an equilibrium between bulk gas and particle phases, despite potential kinetic limitations and differences in thermodynamics as a function of SOA and pre-existing OA composition. This study directly measures the partitioning of oxidized compounds in a Teflon chamber in the presence of single component seeds of different phases and polarities, including oleic acid, squalane, dioctyl sebacate, pentaethylene glycol, dry/wet ammonium sulfate, and dry/wet sucrose. The oxidized compounds are generated by a fast OH oxidation of a series of alkanols under high nitric oxide conditions. The observed SOA mass enhancements are highest with oleic acid, and lowest with wet ammonium sulfate and sucrose. A chemical ionization mass spectrometer (CIMS) was used to measure the decay of gas-phase organic nitrates, which reflects uptake by particles and chamber walls. We observed clear changes in equilibrium timescales with varying seed concentrations and in equilibrium gas-phase concentrations across different seeds. In general, the gas evolution can be reproduced by a kinetic box model that considers partitioning and evaporation with particles and chamber walls, except for the wet sucrose system. The accommodation coefficient and saturation mass concentration of each species in the presence of each seed are derived using the model. The changes in particle size distributions and composition monitored by a scanning mobility particle sizer (SMPS) and a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) are investigated to probe the SOA formation mechanism. Based on these results, the applicability of partitioning theory to these systems and the relevant quantitative parameters, including the dependencies on seed particle composition, will

Secondary ions produced from condensed rare gas targets under highly charged MeV/amu heavy ion bombardment

International Nuclear Information System (INIS)

Tawara, H.; Tonuma, T.; Kumagai, H.; Matsuo, T.

1994-01-01

Secondary ions produced from condensed rare gas targets are observed under MeV/amu, highly charged, heavy ion impact. The intensities of the observed cluster ions decrease smoothly as the cluster sizes become large but show some discontinuities at particular sizes of cluster ions. This seems to be closely related to the stabilities of cluster ion structures. It is also noted that very few doubly charged or practically no triply/higher charged ions have been observed, in sharp contrast to that of some condensed molecular targets. (orig.)

Excited argon 1s5 production in micro-hollow cathode discharges for use as potential rare gas laser sources

Science.gov (United States)

Peterson, Richard D.; Eshel, Ben; Rice, Christopher A.; Perram, Glen P.

2018-02-01

The diode-pumped rare gas laser (DPRGL) has been suggested as a potential high-gain, high-energy laser which requires densities on the order of 1013 cm-3 at pressures around 1 atmosphere for efficient operation. Argon 1s5 number densities have been measured in micro-hollow cathode discharges with electrode gaps of 127 and 254 μm and hole diameters from 100-400 μm. The dependency of the metastable argon (1s5) density on total gas pressure, electrode gap distance and hole diameter were explored. The measured densities were all in the range of 0.5 - 2 × 1013 cm-3 with the 400 μm hole diameters being the lowest.

Study on charge transfer reaction of several organic molecules with accelerated rare gas ions

International Nuclear Information System (INIS)

Takahasi, Makoto; Okuda, Sachiko; Arai, Eiichi; Ichinose, Akira; Takakubo, Masaaki.

1984-01-01

Observing the charge transfer mass spectra of ethylbenzene, cyclobutane and methanol in Ar and Xe ion impacts, we investigated the dependence of the secondary ion peak intensities (normalized to primary ion current and target pressure) on the translational energy of primary ions (0-3500 eV).In the case of ethylbenzene, several maxima of the secondary i on peak intensities were observed in Ar and Xe ion impacts. The correlation between the maxima and the primary ion energy was examined in terms of near adiabatic theory of Massey. Supplementary studies on the energy distribution of primary ion, charge transfer cross section between methanol and Xe ion, and final product analysis in rare gas ion irradiation on cyclobutane were described. (author)

Full evaporation dynamic headspace and gas chromatography-mass spectrometry for uniform enrichment of odor compounds in aqueous samples.

Science.gov (United States)

Ochiai, Nobuo; Sasamoto, Kikuo; Hoffmann, Andreas; Okanoya, Kazunori

2012-06-01

A method for analysis of a wide range of odor compounds in aqueous samples at sub-ng mL⁻¹ to μg mL⁻¹ levels was developed by full evaporation dynamic headspace (FEDHS) and gas chromatography-mass spectrometry (GC-MS). Compared to conventional DHS and headspace solid phase microextraction (HS-SPME), FEDHS provides more uniform enrichment over the entire polarity range for odor compounds in aqueous samples. FEDHS at 80°C using 3 L of purge gas allows complete vaporization of 100 μL of an aqueous sample, and trapping and drying it in an adsorbent packed tube, while providing high recoveries (85-103%) of the 18 model odor compounds (water solubility at 25°C: log0.54-5.65 mg L⁻¹, vapor pressure at 25°C: 0.011-3.2 mm Hg) and leaving most of the low volatile matrix behind. The FEDHS-GC-MS method showed good linearity (r²>0.9909) and high sensitivity (limit of detection: 0.21-5.2 ng mL⁻¹) for the model compounds even with the scan mode in the conventional MS. The feasibility and benefit of the method was demonstrated with analyses of key odor compounds including hydrophilic and less volatile characteristics in beverages (whiskey and green tea). In a single malt whiskey sample, phenolic compounds including vanillin could be determined in the range of 0.92-5.1 μg mL⁻¹ (RSDfuraneol, indole, maltol, and pyrazine congeners) were determined in the range of 0.21-110 ng mL⁻¹ (RSD<10%, n=6). Copyright © 2012 Elsevier B.V. All rights reserved.

Study of Pair and many-body interactions in rare-gas halide atom clusters using negative ion zero electron kinetic energy (ZEKE) and threshold photodetachment spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Yourshaw, Ivan [Univ. of California, Berkeley, CA (United States)

1998-07-09

The diatomic halogen atom-rare gas diatomic complexes KrBr^-, XeBr^-, and KrCl^- are studied in this work by zero electron kinetic energy (ZEKE) spectroscopy in order to characterize the weak intermolecular diatomic potentials of these species. Also, the ZEKE and threshold photodetachment spectra of the polyatomic clusters Ar_nBr^- (n = 2-9) and Ar_nI^- (n = 2-19) are studied to obtain information about the non-additive effects on the interactions among the atoms. This work is part of an ongoing effort to characterize the pair and many-body potentials of the complete series of rare gas halide clusters. In these studies we obtain information about both the anionic and neutral clusters.

Rare earths: preparation of spectro chemically pure standards, study of their carbonates and synthesis of a new compound series - the peroxy carbonates; Terras-raras: obtencao de padroes espectroquimicos, estudo dos carbonatos e sintese dos peroxicarbonatos. Uma nova serie de compostos

Energy Technology Data Exchange (ETDEWEB)

Queiroz, Carlos Alberto da Silva

1996-05-01

In this work the following studies are concerned: I) preparation of lanthanum, cerium, praseodymium, neodymium and samarium oxides for use as spectro chemically pure standards; II) behavior of the rare earth (La, Ce, Pr, Nd, Sm) carbonates soluble in ammonium carbonate and mixture of ammonium carbonate/ammonium hydroxide, and III) synthesis and characterization of rare earth peroxy carbonates - a new series of compounds. Data for the synthesis and characterization of the rare earths peroxy carbonates described for the first time in this work are presented and discussed. With the aid of thermal analysis (TG-DTG) the thermal stability and the stoichiometric composition for new compounds were established and a mechanism of thermal decomposition was proposed. The peroxy carbonate was prepared by the addition of hydrogen peroxyde to the complexed soluble rare earths carbonates. These studies included also the determinations of active oxygen, the total rare earth oxide by gravimetry and complexometry and the C, H and N contents by microanalysis. The new compounds were also investigated by infrared spectroscopy. (author)

Chromatographic Techniques for Rare Earth Elements Analysis

Science.gov (United States)

Chen, Beibei; He, Man; Zhang, Huashan; Jiang, Zucheng; Hu, Bin

2017-04-01

The present capability of rare earth element (REE) analysis has been achieved by the development of two instrumental techniques. The efficiency of spectroscopic methods was extraordinarily improved for the detection and determination of REE traces in various materials. On the other hand, the determination of REEs very often depends on the preconcentration and separation of REEs, and chromatographic techniques are very powerful tools for the separation of REEs. By coupling with sensitive detectors, many ambitious analytical tasks can be fulfilled. Liquid chromatography is the most widely used technique. Different combinations of stationary phases and mobile phases could be used in ion exchange chromatography, ion chromatography, ion-pair reverse-phase chromatography and some other techniques. The application of gas chromatography is limited because only volatile compounds of REEs can be separated. Thin-layer and paper chromatography are techniques that cannot be directly coupled with suitable detectors, which limit their applications. For special demands, separations can be performed by capillary electrophoresis, which has very high separation efficiency.

Characterization and Health Risk Assessment of Volatile Organic Compounds in Gas Service Station Workers

Directory of Open Access Journals (Sweden)

Duangduan Yimrungruang

2008-07-01

Full Text Available Gas service station workers who work near volatile organic compounds (VOCs sources, such as gasoline vapor emissions, and motor vehicle exhausts, may be exposed to highly elevated VOCs levels. This study investigates air samples from gas service stations in Thailand to evaluate the health risks following inhalation exposure. Personal air samplings were obtained at nine gas service stations in Chonburi, Thailand from October to December 2007. The concentrations of benzene, toluene, ethylbenzene, xylenes, and hexane in the air from the workplaces were significantly higher than in a control group of office workers (p<0.05. However, all VOCs in these air samples were lower than TWA limit of Thailand and the OSHA standard. Samples of urine, collected after 8-h work periods which were analyzed for VOCs metabolites, including t,t muconic acid, hippuric acid, mandelic acid and m-hippuric acid, demonstrate that the average levels of metabolites in gas service station workers and in controls were close, except for t,t muconic acid of gas service station workers which displayed higher levels than the in the controls. The lifetime cancer and noncancer risks for the workers exposed to VOCs were also assessed. Results show that all nine gas service stations in this study had a elevated lifetime cancer risk ranging from 53 to 630 per million, thus exceeding the normal risk of 1 per million. For noncancer risks, the levels in all gas stations ranged between 0.03 and 0.4, which is well below the reference hazard level of 1.0. Benzene may the most important cause of both cancer and noncancer risk followed by 1,3 butadiene.

Experimental study of single-electron loss by Ar{sup +} ions in rare-gas atoms

Energy Technology Data Exchange (ETDEWEB)

Reyes, P.G. [Facultad de Ciencias, UNAM, Coyoacan (Mexico); Castillo, F. [Instituto de Ciencias Nucleares, UNAM, Coyoacan (Mexico); Martinez, H. [Centro de Ciencias Fisicas, UNAM, Cuernavaca, Morelos (Mexico)]. E-mail: hm@fis.unam.mx

2001-04-28

Absolute differential and total cross sections for single-electron loss were measured for Ar{sup +} ions on rare-gas atoms in the laboratory energy range of 1.5 to 5.0 keV. The electron loss cross sections for all the targets studied are found to be in the order of magnitude between 10{sup -19} and 10{sup -22} cm{sup 2}, and show a monotonically increasing behaviour as a function of the incident energy. The behaviour of the total single-electron loss cross sections with the atomic target number, Z{sub t}, shows different dependences as the collision energy increases. In all cases the present results display experimental evidence of saturation in the single-electron loss cross section as the atomic number of the target increases. (author)

Organic compounds in produced waters from coalbed natural gas wells in the Powder River Basin, Wyoming, USA

Science.gov (United States)

Orem, W.H.; Tatu, C.A.; Lerch, H.E.; Rice, C.A.; Bartos, T.T.; Bates, A.L.; Tewalt, S.; Corum, M.D.

2007-01-01

The organic composition of produced water samples from coalbed natural gas (CBNG) wells in the Powder River Basin, WY, sampled in 2001 and 2002 are reported as part of a larger study of the potential health and environmental effects of organic compounds derived from coal. The quality of CBNG produced waters is a potential environmental concern and disposal problem for CBNG producers, and no previous studies of organic compounds in CBNG produced water have been published. Organic compounds identified in the produced water samples included: phenols, biphenyls, N-, O-, and S-containing heterocyclic compounds, polycyclic aromatic hydrocarbons (PAHs), aromatic amines, various non-aromatic compounds, and phthalates. Many of the identified organic compounds (phenols, heterocyclic compounds, PAHs) are probably coal-derived. PAHs represented the group of organic compounds most commonly observed. Concentrations of total PAHs ranged up to 23 ??g/L. Concentrations of individual compounds ranged from about 18 to compound concentrations was documented, as two wells with relatively high organic compound contents in produced water in 2001 had much lower concentrations in 2002. In many areas, including the PRB, coal strata provide aquifers for drinking water wells. Organic compounds observed in produced water are also likely present in drinking water supplied from wells in the coal. Some of the organic compounds identified in the produced water samples are potentially toxic, but at the levels measured in these samples are unlikely to have acute health effects. The human health effects of low-level, chronic exposure to coal-derived organic compounds in drinking water are currently unknown. Continuing studies will evaluate possible toxic effects from low level, chronic exposure to coal-derived organic compounds in drinking water supplies.

Gas-sensing properties of SnO2-TiO2-based sensor for volatile organic compound gas and its sensing mechanism

International Nuclear Information System (INIS)

Zeng Wen; Liu Tianmo

2010-01-01

We report the microstructure and gas-sensing properties of the SnO 2 -TiO 2 composite oxide dope with Ag ion prepared by the sol-gel method. Of all various volatile organic compounds (VOCs) such as ethanol, methanol, acetone and formaldehyde were examined, the sensor exhibits remarkable selectivity to each VOCs at different operating temperature. Further investigations based on quantum chemistry calculation show that difference orbital energy of VOCs molecule may be a qualitative factor to affect the selectivity of the sensor.

Gas chromatographic-mass spectrometric determination of hydrophilic compounds in environmental water by solid-phase extraction with activated carbon fiber felt.

Science.gov (United States)

Kawata, K; Ibaraki, T; Tanabe, A; Yagoh, H; Shinoda, A; Suzuki, H; Yasuhara, A

2001-03-09

Simple gas chromatographic-mass spectrometric determination of hydrophilic organic compounds in environmental water was developed. A cartridge containing activated carbon fiber felt was made by way of trial and was evaluated for solid-phase extraction of the compounds in water. The hydrophilic compounds investigated were acrylamide, N,N-dimethylacetamide, N,N-dimethylformamide, 1,4-dioxane, furfural, furfuryl alcohol, N-nitrosodiethylamine and N-nitrosodimethylamine. Overall recoveries were good (80-100%) from groundwater and river water. The relative standard deviations ranged from 4.5 to 16% for the target compounds. The minimum detectable concentrations were 0.02 to 0.03 microg/l. This method was successfully applied to several river water samples.

Bioleaching of rare earth elements from monazite sand.

Science.gov (United States)

Brisson, Vanessa L; Zhuang, Wei-Qin; Alvarez-Cohen, Lisa

2016-02-01

Three fungal strains were found to be capable of bioleaching rare earth elements from monazite, a rare earth phosphate mineral, utilizing the monazite as a phosphate source and releasing rare earth cations into solution. These organisms include one known phosphate solubilizing fungus, Aspergillus niger ATCC 1015, as well as two newly isolated fungi: an Aspergillus terreus strain ML3-1 and a Paecilomyces spp. strain WE3-F. Although monazite also contains the radioactive element Thorium, bioleaching by these fungi preferentially solubilized rare earth elements over Thorium, leaving the Thorium in the solid residual. Adjustments in growth media composition improved bioleaching performance measured as rare earth release. Cell-free spent medium generated during growth of A. terreus strain ML3-1 and Paecilomyces spp. strain WE3-F in the presence of monazite leached rare earths to concentrations 1.7-3.8 times those of HCl solutions of comparable pH, indicating that compounds exogenously released by these organisms contribute substantially to leaching. Organic acids released by the organisms included acetic, citric, gluconic, itaconic, oxalic, and succinic acids. Abiotic leaching with laboratory prepared solutions of these acids was not as effective as bioleaching or leaching with cell-free spent medium at releasing rare earths from monazite, indicating that compounds other than the identified organic acids contribute to leaching performance. © 2015 Wiley Periodicals, Inc.

Identification of key aromatic compounds in Congou black tea by PLSR with variable importance of projection scores and gas chromatography-mass spectrometry/gas chromatography-olfactometry.

Science.gov (United States)

Mao, Shihong; Lu, Changqi; Li, Meifeng; Ye, Yulong; Wei, Xu; Tong, Huarong

2018-04-13

Gas chromatography-olfactometry (GC-O) is the most frequently used method to estimate the sensory contribution of single odorant, but disregards the interactions between volatiles. In order to select the key volatiles responsible for the aroma attributes of Congou black tea (Camellia sinensis), instrumental, sensory and multivariate statistical approaches were applied. By sensory analysis, nine panelists developed 8 descriptors, namely, floral, sweet, fruity, green, roasted, oil, spicy, and off-odor. Linalool, (E)-furan linalool oxide, (Z)-pyran linalool oxide, methyl salicylate, β-myrcene, phenylethyl alcohol which identified from the most representative samples by GC-O procedure, were the essential aroma-active compounds in the formation of basic Congou black tea aroma. In addition, 136 volatiles were identified by gas chromatography-mass spectrometry (GC-MS), among which 55 compounds were determined as the key factors for the six sensory attributes by partial least-square regression (PLSR) with variable importance of projection (VIP) scores. Our results demonstrated that HS-SPME/GC-MS/GC-O was a fast approach for isolation and quantification aroma-active compounds. PLSR method was also considered to be a useful tool in selecting important variables for sensory attributes. These two strategies allowed us to comprehensively evaluate the sensorial contribution of single volatile from different perspectives, can be applied to related products for comprehensive quality control. This article is protected by copyright. All rights reserved.

Manipulation of rare isotope beams - from high to low energies

Energy Technology Data Exchange (ETDEWEB)

Bollen, G. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI (United States)], E-mail: bollen@nscl.msu.edu; Campbell, C.; Chouhan, S.; Guenaut, C.; Lawton, D.; Marti, F. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States); Morrissey, D.J. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States); Department of Chemistry, Michigan State University, East Lansing, MI (United States); Ottarson, J. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States); Pang, G. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States); Department of Chemistry, Michigan State University, East Lansing, MI (United States); Schwarz, S.; Zeller, A.F.; Zavodszky, P. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States)

2008-10-15

Projectile fragmentation above 50 MeV/u and in-flight separation is a powerful technique for the production and delivery of rare isotopes. The production is fast and chemistry independent, providing nuclides far away from the valley of beta stability and for a very large range of elements. These benefits can be maximized if the produced rare isotopes are made available also as low-energy beams (<15 MeV/u) and at rest. For this purpose the fast beams need to be slowed down and thermalized before being re-accelerated to the desired energy. This can be achieved with gas stopping techniques. This paper discusses various aspects of stopping fast rare isotope beams, including the development of a 'cyclotron gas stopper' that promises to overcome the limitations of present linear gas stopping schemes.

Gas-liquid partitioning of halogenated volatile organic compounds in aqueous cyclodextrin solutions

Energy Technology Data Exchange (ETDEWEB)

Ondo, Daniel; Barankova, Eva [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic); Dohnal, Vladimir, E-mail: dohnalv@vscht.cz [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic)

2011-08-15

Highlights: > Binding of halogenated VOCs with cyclodextrins examined through g-l partitioning. > Complex stabilities reflect host-guest size matching and hydrophobic interaction. > Presence of halogens in the guest molecule stabilizes the binding. > Thermodynamic origin of the binding varies greatly among the systems studied. > Results obey the guest-CD global enthalpy-entropy compensation relationship. - Abstract: Gas-liquid partitioning coefficients (K{sub GL}) were measured for halogenated volatile organic compounds (VOCs), namely 1-chlorobutane, methoxyflurane, pentafluoropropan-1-ol, heptafluorobutan-1-ol, {alpha},{alpha},{alpha}-trifluorotoluene, and toluene in aqueous solutions of natural {alpha}-, {beta}-, and {gamma}-cyclodextrins (CDs) at temperatures from (273.35 to 326.35) K employing the techniques of headspace gas chromatography and inert gas stripping. The binding constants of the 1:1 inclusion complex formation between the VOCs and CDs were evaluated from the depression of the VOCs volatility as a function of CD concentration. The host-guest size matching and the hydrophobic interaction concept were used to rationalize the observed widely different affinity of the VOC-CD pairs to form the inclusion complex. The enthalpic and entropic component of the standard Gibbs free energy of complex formation as derived from the temperature dependence of the binding constant indicate the thermodynamic origin of the binding to vary greatly among the systems studied, but follow the global enthalpy-entropy compensation relationships reported previously in the literature.

Analysis of volatile organic compounds in pleural effusions by headspace solid-phase microextraction coupled with cryotrap gas chromatography and mass spectrometry.

Science.gov (United States)

Huang, Zhongping; Zhang, Jie; Zhang, Peipei; Wang, Hong; Pan, Zaifa; Wang, Lili

2016-07-01

Headspace solid-phase microextraction coupled with cryotrap gas chromatography and mass spectrometry was applied to the analysis of volatile organic compounds in pleural effusions. The highly volatile organic compounds were separated successfully with high sensitivity by the employment of a cryotrap device, with the construction of a cold column head by freezing a segment of metal capillary with liquid nitrogen. A total of 76 volatile organic compounds were identified in 50 pleural effusion samples (20 malignant effusions and 30 benign effusions). Among them, 34 more volatile organic compounds were detected with the retention time less than 8 min, by comparing with the normal headspace solid-phase microextraction coupled with gas chromatography and mass spectrometry method. Furthermore, 24 volatile organic compounds with high occurrence frequency in pleural effusion samples, 18 of which with the retention time less than 8 min, were selected for the comparative analysis. The results of average peak area comparison and box-plot analysis showed that except for cyclohexanone, 2-ethyl-1-hexanol, and tetramethylbenzene, which have been reported as potential cancer biomarkers, cyclohexanol, dichloromethane, ethyl acetate, n-heptane, ethylbenzene, and xylene also had differential expression between malignant and benign effusions. Therefore, the proposed approach was valuable for the comprehensive characterization of volatile organic compounds in pleural effusions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Handbook on the physics and chemistry of rare earths

International Nuclear Information System (INIS)

Gschneidner, K.A. Jr.; Eyring, L.

1982-01-01

This handbook is a six-volume work which covers the entire rare earth field in an integrated manner. Each chapter is a comprehensive, up-to-date, critical review of a particular segment of the field. The first volume is devoted to the rare earth metals, the second to rare earth alloys and intermetallics, and the third and fourth volumes to the non-metallic rare earth materials, including solutions, complexes and bioinorganic substances, in addition to solid inorganic compounds. The electronic structure of these unique elements is the primary basis of understanding their physical, metallurgical and chemical natures. The interrelationship of the 4f and valence electrons and the observed optical, electrical, magnetic, crystallographic, elastic, thermal, mechanical, chemical, geochemical and biological behaviors is brought forth time and again throughout the chapters. Also discussed are the preparative, separation and solution chemistry of the elements and their compounds and the various chemical and physical analytical methods for determining the rare earths in various materials and impurities in a rare earth matrix. Vol. 5 is a update complement of the previous volumes. Volume 6 is concerned with ternary and higher order materials. (Auth.)

Gas Phase Thz Spectroscopy of Organosulfide and Organophosphorous Compounds Using a Synchrotron Source

Science.gov (United States)

Cuisset, Arnaud; Smirnova, Irina; Bocquet, Robin; Hindle, Francis; Mouret, Gael; Sadovskii, Dmitrii A.; Pirali, Olivier; Roy, Pascale

2011-06-01

This study concerns the gas phase rovibrational spectroscopy of organosulfide and organophosphorous which are considered as non toxic model compounds in the analysis of chemical weapon materials, high pathogenic and mutagenic agents, and other environmentally interesting air-borne species. The coupling of the synchrotron radiation with multipass cells and the FTIR spectrometer allowed to obtain very conclusive results in term of sensitivity and resolution and improved the previous results obtained with classical sources. For DMSO, using an optical path of 150 m the spectra have been recorded at the ultimate resolution of 0.001 Cm-1 allowing to fully resolve the rotational structure of the lowest vibrational modes observed in the THz region. In the 290 - 420 Cm-1 region, the rovibrational spectrum of the "perpendicular" and "parallel" vibrational bands associated with, respectively, the asymmetric ν23 and symmetric ν11 bending modes of DMSO have been recorded with a resolution of 1.5× 10-3 Cm-1. The gas phase vibrational spectra of organophosphorous compounds were measured by FTIR spectroscopy using the vapor pressure of the compounds. Except for TBP, the room temperature vapor pressure was sufficient to detect all active vibrational modes from THz to NIR domain. Contrary to DMSO, the rotational patterns of alkyl phosphates and alkyl phosphonates could not be resolved; only a vibrational analysis may be performed. Nevertheless, the spectral fingerprints observed in the THz region allowed a clear discrimination between the molecules and between the different molecular conformations. A. Cuisset, G. Mouret, O. Pirali, P. Roy, F. Cazier, H. Nouali, J. Demaison, J. Phys. Chem. B, 2008, 112:, 12516-12525 A. Cuisset, L. Nanobashvili, I. Smirnova, R. Bocquet, F. Hindle, G. Mouret, O. Pirali, P. Roy and D. A. Sadovskií, Chem. Phys. Lett., 2010, 492: 30-34 I. Smirnova, A. Cuisset, R. Bocquet, F. Hindle, G. Mouret, O. Pirali, P. Roy, J. Phys. Chem. B, 2010, 114: 16936-16947.

Treatment of reduced sulphur compounds and SO2 by Gas Phase Advanced Oxidation

DEFF Research Database (Denmark)

Meusinger, Carl; Bluhme, Anders Brostrøm; Ingemar, Jonas L.

2017-01-01

Reduced sulphur compounds (RSCs) emitted from pig farms are a major problem for agriculture, due to their health and environmental impacts and foul odour. This study investigates the removal of RSCs, including H2S, and their oxidation product SO2 using Gas Phase Advanced Oxidation (GPAO). GPAO...... is a novel air cleaning technique which utilises accelerated atmospheric chemistry to oxidise pollutants before removing their oxidation products as particles. Removal efficiencies of 24.5% and 3.9% were found for 461 ppb of H2S and 714 ppb of SO2 in a laboratory system (volumetric flow Q = 75 m3/h......). A numerical model of the reactor system was developed to explore the basic features of the system; its output was in fair agreement with the experiment. The model verified the role of OH radicals in initiating the oxidation chemistry. All sulphur removed from the gas phase was detected as particulate matter...

Development of a high-density gas-jet target for nuclear astrophysics and reaction studies with rare isotope beams. Final Report

Energy Technology Data Exchange (ETDEWEB)

Uwe, Greife [Colorado School of Mines, Golden, CO (United States)

2014-08-12

The purpose of this project was to develop a high-density gas jet target that will enable a new program of transfer reaction studies with rare isotope beams and targets of hydrogen and helium that is not currently possible and will have an important impact on our understanding of stellar explosions and of the evolution of nuclear shell structure away from stability. This is the final closeout report for the project.

Development of a high-density gas-jet target for nuclear astrophysics and reaction studies with rare isotope beams. Final Report

International Nuclear Information System (INIS)

Uwe, Greife

2014-01-01

The purpose of this project was to develop a high-density gas jet target that will enable a new program of transfer reaction studies with rare isotope beams and targets of hydrogen and helium that is not currently possible and will have an important impact on our understanding of stellar explosions and of the evolution of nuclear shell structure away from stability. This is the final closeout report for the project.

Exploring new Xe-129 chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon

Czech Academy of Sciences Publication Activity Database

Lantto, P.; Standara, Stanislav; Riedel, S.; Vaara, J.; Straka, Michal

2012-01-01

Roč. 14, č. 31 (2012), s. 10944-10952 ISSN 1463-9076 R&D Projects: GA ČR GA203/09/2037 Grant - others:GA MŠk(CZ) LM2010005; 7th European Framework Program(XE) 230955; CEITEC(XE) CZ.1.05/1.1.00/02.0068 Institutional research plan: CEZ:AV0Z40550506 Keywords : 129Xe NMR * novel Xe compounds * relativistic effects * rare-gas * ab-initio * NMR properties Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.829, year: 2012

Squeezing clathrate cages to host trivalent rare-earth guests

Energy Technology Data Exchange (ETDEWEB)

Wang, Jian [Iowa State Univ., Ames, IA (United States). Department of Chemistry; Ames Lab., Ames, IA (United States); He, Yuping [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Mordvinova, Natalia E. [Laboratoire CRISMAT, ENSICAEN, CNRS UMR (France); Lebedev, Oleg [Laboratoire CRISMAT, ENSICAEN, CNRS UMR (France); Kovnir, Kirill [Iowa State Univ., Ames, IA (United States). Department of Chemistry; Ames Lab., Ames, IA (United States)

2017-11-01

Strike difference of the trivalent rare-earth cations from their alkali and alkaline-earth peers is in the presence of localized 4f-electrons and strong spin-orbit coupling. Placing trivalent rare-earth cations inside the fullerene molecules or in between the blocks of itinerant magnetic intermetallics gave rise to plethora of fascinating properties and materials. A long-time missing but hardly desired piece is the semiconducting or metallic compound where rare-earth cations are situated inside the oversized polyhedral cages of three-dimensional framework. In this work we present a synthesis of such compounds, rare-earth containing clathrates Ba_8-xR_xCu₁₆P₃₀. The unambiguous proofs of their composition and crystal structure were achieved by a combination of synchrotron powder diffraction, time-of-flight neutron powder diffraction, scanning-transmission electron microscopy, and electron energy-loss spectroscopy. Our quantum-mechanical calculations and experimental characterizations show that the incorporation of the rare-earth cations significantly enhances the hole mobility and concentration which results in the drastic increase in the thermoelectric performance.

D2O clusters isolated in rare-gas solids: Dependence of infrared spectrum on concentration, deposition rate, heating temperature, and matrix material

Science.gov (United States)

Shimazaki, Yoichi; Arakawa, Ichiro; Yamakawa, Koichiro

2018-04-01

The infrared absorption spectra of D2O monomers and clusters isolated in rare-gas matrices were systematically reinvestigated under the control of the following factors: the D2O concentration, deposition rate, heating temperature, and rare-gas species. We clearly show that the cluster-size distribution is dependent on not only the D2O concentration but also the deposition rate of a sample; as the rate got higher, smaller clusters were preferentially formed. Under the heating procedures at different temperatures, the cluster-size growth was successfully observed. Since the monomer diffusion was not enough to balance the changes in the column densities of the clusters, the dimer diffusion was likely to contribute the cluster growth. The frequencies of the bonded-OD stretches of (D2O)k with k = 2-6 were almost linearly correlated with the square root of the critical temperature of the matrix material. Additional absorption peaks of (D2O)2 and (D2O)3 in a Xe matrix were assigned to the species trapped in tight accommodation sites.

Comparison of two common adsorption materials for thermal desorption gas chromatography - mass spectrometry of biogenic volatile organic compounds.

Science.gov (United States)

Marcillo, Andrea; Jakimovska, Viktorija; Widdig, Anja; Birkemeyer, Claudia

2017-09-08

Volatile organic compounds (VOCs) are commonly collected from gaseous samples by adsorption to materials such as the porous polymer Tenax TA. Adsorbed compounds are subsequently released from these materials by thermal desorption (TD) and separated then by gas chromatography (GC) with flame ionization (FID) or mass spectrometry (MS) detection. Tenax TA is known to be particularly suitable for non-polar to semipolar volatiles, however, many volatiles from environmental and biological samples possess a rather polar character. Therefore, we tested if the polymer XAD-2, which so far is widely used to adsorb organic compounds from aqueous and organic solvents, could provide a broader coverage for (semi)polar VOCs during gas-phase sampling. Mixtures of volatile compounds covering a wide range of volatility (bp. 20-256°C) and different chemical classes were introduced by liquid spiking into sorbent tubes with one of the two porous polymers, Tenax TA or XAD-2, and analyzed by TD/GC-MS. At first, an internal standard mixture composed of 17 authentic standards was used to optimize desorption temperature with respect to sorbent degradation and loading time for calibration. Secondly, we tested the detectability of a complex standard mixture composed of 57 volatiles, most of them common constituents of the body odor of mammals. Moreover, the performance of XAD-2 compared with Tenax TA was assessed as limit of quantitation and linearity for the internal standard mixture and 33 compounds from the complex standard mixture. Volatiles were analyzed in a range between 0.01-∼250ng/tube depending on the compound and material. Lower limits of quantitation were between 0.01 and 3 ng±0.9). Interestingly, we found different kinetics for compound adsorption with XAD-2, and a partially better sensitivity in comparison with Tenax TA. For these analytes, XAD-2 might be recommended as an alternative of Tenax TA for TD/GC-MS analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

Gas separation techniques in nuclear facilities

International Nuclear Information System (INIS)

Hioki, Hideaki; Morisue, Tetsuo; Ohno, Masayoshi

1983-01-01

The literatures concerning the gas separation techniques which are applied to the waste gases generated from nuclear power plants and nuclear fuel reprocessing plants, uranium enrichment and the instrumentation of nuclear facilities are reviewed. The gas permeability and gas separation performance of membranes are discussed in terms of rare gas separation. The investigation into the change of the gas permeability and mechanical properties of membranes with exposure to radiation is reported. The theoretical investigation of the separating cells used for the separation of rare gas and the development of various separating cells are described, and the theoretical and experimental investigations concerning rare gas separation using cascades are described. The application of membrane method to nuclear facilities is explained showing the examples of uranium enrichment, the treatment of waste gases from nuclear reactor buildings and nuclear fuel reprocessing plants, the monitoring of low level β-emitters in stacks, the detection of failed fuels and the detection of water leak in fast breeder reactors. (Yoshitake, I.)

Development and validation of a portable gas phase standard generation and calibration system for volatile organic compounds

Science.gov (United States)

P. Veres; J. B. Gilman; J. M. Roberts; W. C. Kuster; C. Warneke; I. R. Burling; J. de Gouw

2010-01-01

We report on the development of an accurate, portable, dynamic calibration system for volatile organic compounds (VOCs). The Mobile Organic Carbon Calibration System (MOCCS) combines the production of gas-phase VOC standards using permeation or diffusion sources with quantitative total organic carbon (TOC) conversion on a palladium surface to CO2 in the presence of...

Versatile Rare Earth Hexanuclear Clusters for the Design and Synthesis of Highly-connected ftw-MOFs

KAUST Repository

Eddaoudi, Mohamed

2015-04-15

A series of highly porous MOFs were deliberately targeted to contain a 12-connected rare earth hexanuclear cluster and quadrangular tetracarboxylate ligands. The resultant MOFs have an underlying topology of ftw, (4, 12)-c ftw-MOFs. This targeted RE ftw-MOF platform offers potential to assess the effect of pore functionality and size, via ligand functionalization and/or expansion, on adsorption properties of relevant gases. Examination of gas adsorption properties of these compounds showed that the ftw-MOF-2 analogues, constructed from rigid ligands having a phenyl, a naphthyl or an anthracene core, exhibited a relatively high degree of porosity. The specific surface areas and pore volumes of these analogs are amongst the highest reported for rare earth based MOFs. Further studies reveal that Y-ftw-MOF-2 shows promising attributes as a storage media for methane (CH4) at high pressures. Furthermore, Y-ftw-MOF-2 shows potential as a separation agent for the selective removal of normal butane (n-C4H10) and propane (C3H8) from natural gas (NG) as well as interesting properties for the selective separation of n-C4H10 from C3H8 or isobutane (iso-C4H10).

Final Report on Testing of Off-Gas Treatment Technologies for Abatement of Atmospheric Emissions of Chlorinated Volatile Organic Compounds

International Nuclear Information System (INIS)

Jarosch, T.R.; Haselow, J.S.; Rossabi, J.; Burdick, S.A.; Raymond, R.; Young, J.E.; Lombard, K.H.

1995-01-01

The purpose of this report is to summarize the results of the program for off-gas treatment of atmospheric emissions of chlorinated volatile organic compounds (CVOCs), in particular trichloroethylene (TCE) and perchloroethylene (PCE). This program was funded through the Department of Energy Office of Technology Development's VOC's in Non-Arid Soils Integrated Demonstration (VNID). The off-gas treatment program was initiated after testing of in-situ air stripping with horizontal wells was completed (Looney et al., 1991). That successful test expectedly produced atmospheric emissions of CVOCs that were unabated. It was decided after that test that an off-gas treatment is an integral portion of remediation of CVOC contamination in groundwater and soil but also because several technologies were being developed across the United States to mitigate CVOC emissions. A single platform for testing off-gas treatment technologies would facilitate cost effective evaluation of the emerging technologies. Another motivation for the program is that many CVOCs will be regulated under the Clean Air Act Amendments of 1990 and are already regulated by many state regulatory programs. Additionally, compounds such as TCE and PCE are pervasive subsurface environmental contaminants, and, as a result, a small improvement in terms of abatement efficiency or cost will significantly reduce CVOC discharges to the environment as well as costs to United States government and industry

Measurement of volatile plant compounds in field ambient air by thermal desorption-gas chromatography-mass spectrometry.

Science.gov (United States)

Cai, Xiao-Ming; Xu, Xiu-Xiu; Bian, Lei; Luo, Zong-Xiu; Chen, Zong-Mao

2015-12-01

Determination of volatile plant compounds in field ambient air is important to understand chemical communication between plants and insects and will aid the development of semiochemicals from plants for pest control. In this study, a thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS) method was developed to measure ultra-trace levels of volatile plant compounds in field ambient air. The desorption parameters of TD, including sorbent tube material, tube desorption temperature, desorption time, and cold trap temperature, were selected and optimized. In GC-MS analysis, the selected ion monitoring mode was used for enhanced sensitivity and selectivity. This method was sufficiently sensitive to detect part-per-trillion levels of volatile plant compounds in field ambient air. Laboratory and field evaluation revealed that the method presented high precision and accuracy. Field studies indicated that the background odor of tea plantations contained some common volatile plant compounds, such as (Z)-3-hexenol, methyl salicylate, and (E)-ocimene, at concentrations ranging from 1 to 3400 ng m(-3). In addition, the background odor in summer was more abundant in quality and quantity than in autumn. Relative to previous methods, the TD-GC-MS method is more sensitive, permitting accurate qualitative and quantitative measurements of volatile plant compounds in field ambient air.

Characterization of microbial and chemical composition of shuttle wet waste with permanent gas and volatile organic compound analyses

Science.gov (United States)

Peterson, B. V.; Hummerick, M.; Roberts, M. S.; Krumins, V.; Kish, A. L.; Garland, J. L.; Maxwell, S.; Mills, A.

2004-01-01

Solid-waste treatment in space for Advanced Life Support, ALS, applications requires that the material can be safely processed and stored in a confined environment. Many solid-wastes are not stable because they are wet (40-90% moisture) and contain levels of soluble organic compounds that can contribute to the growth of undesirable microorganisms with concomitant production of noxious odors. In the absence of integrated Advanced Life Support systems on orbit, permanent gas, trace volatile organic and microbiological analyses were performed on crew refuse returned from the volume F "wet" trash of three consecutive Shuttle missions (STS-105, 109, and 110). These analyses were designed to characterize the short-term biological stability of the material and assess potential crew risks resulting from microbial decay processes during storage. Waste samples were collected post-orbiter landing and sorted into packaging material, food waste, toilet waste, and bulk liquid fractions deposited during flight in the volume F container. Aerobic and anaerobic microbial loads were determined in each fraction by cultivation on R2A and by acridine orange direct count (AODC). Dry and ash weights were performed to determine both water and organic content of the materials. Experiments to determine the aerobic and anaerobic biostability of refuse stored for varying periods of time were performed by on-line monitoring of CO2 and laboratory analysis for production of hydrogen sulfide and methane. Volatile organic compounds and permanent gases were analyzed using EPA Method TO15 by USEPA et al. [EPA Method TO15, The Determination of Volatile Organic Compounds (VOCs) in Ambient Air using SUMMA, Passivated Canister Sampling and Gas Chromatographic Analysis,1999] with gas chromatography/mass spectrometry and by gas chromatography with selective detectors. These baseline measures of waste stream content, labile organics, and microbial load in the volume F Shuttle trash provide data for waste

[Simultaneous determination of ten organotin compounds in polyvinyl chloride plastics using gas chromatography-mass spectrometry].

Science.gov (United States)

Li, Ying; Li, Bin; Liu, Li; Zhang, Chen; Wu, Jingwu; Liu, Zhihong; Li, Xintian

2009-01-01

A rapid and effective gas chromatography coupled with mass spectrometry method has been developed systematically and studied for the simultaneous determination of 10 organotin compounds, dibutyltin-dichloride (DBT), n-butyltin-trichloride (MBT), triethyltinchloride (TET), fentin-chloride (TPhT), chlorotributylstannane (TBT), tri-n-propyltinchloride (TPrT), diphenyltin-dichloride (DPhT), tetrabutyltin (TeBT), di-n-octyltin-dichloride (DOT), phenyltin trichloride (MPhT)), in polyvinyl chloride (PVC) plastics. The PVC sample was dissolved with tetrahydrofuran and the polymer in the sample was precipitated with methanol, and then the target compounds were derivatized with sodium tetraethylborate and extracted with hexane under ultrasonication. The qualitative and quantitative analysis were carried out by GC-MS and the total ion chromatogram and selected ion chromatogram were obtained. The derivatization and extraction conditions, such as the derivatization time, derivatization pH value, dosages of derivatization reagent and precipitation reagent were optimized. The good linearities, recoveries and precisions were obtained. The linearity ranges were 0.5 - 50 mg/L. The linearity correlation coefficients of 10 organotin compounds were between 0.997 8 and 0.999 7. The average recoveries were 84.23% - 109.1% with relative standard deviations of 4.24% - 10.75%. The established method has been successfully applied to the determination of organotin compounds in PVC plastics.

Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: A comparison with benzaldehyde

Energy Technology Data Exchange (ETDEWEB)

Kus, Nihal [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Department of Physics, Anadolu University, 26470 Eskisehir (Turkey); Sharma, Archna; Reva, Igor; Fausto, Rui [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Lapinski, Leszek [Institute of Physics, Polish Academy of Sciences, Warsaw (Poland)

2012-04-14

Different patterns of photochemical behavior were observed for 4-methoxybenzaldehyde (p-anisaldehyde) isolated in xenon and in argon matrices. Monomers of the compound isolated in solid Xe decarbonylate upon middle ultraviolet irradiation, yielding methoxybenzene (anisole), and CO. On the other hand, p-anisaldehyde isolated in an Ar matrix and subjected to identical irradiation, predominantly isomerizes to the closed-ring isomeric ketene (4-methoxycyclohexa-2,4-dien-1-ylidene) methanone. Experimental detection of a closed-ring ketene photoproduct, generated from an aromatic aldehyde, constitutes a rare observation. The difference between the patterns of photochemical transformations of p-anisaldehyde isolated in argon and xenon environments can be attributed to the external heavy-atom effect, where xenon enhances the rate of intersystem crossing from the singlet to the triplet manifold in which decarbonylation (via p-methoxybenzoyl radical) takes place. The parent compound, benzaldehyde, decarbonylates (to benzene + CO) when subjected to middle ultraviolet irradiation in both argon and xenon matrices. This demonstrates the role of the methoxy p-anisaldehyde substituent in activation of the reaction channel leading to the formation of the ketene photoproduct.

Air ionization as a control technology for off-gas emissions of volatile organic compounds.

Science.gov (United States)

Kim, Ki-Hyun; Szulejko, Jan E; Kumar, Pawan; Kwon, Eilhann E; Adelodun, Adedeji A; Reddy, Police Anil Kumar

2017-06-01

High energy electron-impact ionizers have found applications mainly in industry to reduce off-gas emissions from waste gas streams at low cost and high efficiency because of their ability to oxidize many airborne organic pollutants (e.g., volatile organic compounds (VOCs)) to CO 2 and H 2 O. Applications of air ionizers in indoor air quality management are limited due to poor removal efficiency and production of noxious side products, e.g., ozone (O 3 ). In this paper, we provide a critical evaluation of the pollutant removal performance of air ionizing system through comprehensive review of the literature. In particular, we focus on removal of VOCs and odorants. We also discuss the generation of unwanted air ionization byproducts such as O 3 , NOx, and VOC oxidation intermediates that limit the use of air-ionizers in indoor air quality management. Copyright © 2017. Published by Elsevier Ltd.

Novel precursors for the deposition of rare earth oxides

International Nuclear Information System (INIS)

Ahlers, Mareike

2010-01-01

During this work rare earth solvates with nitrate and perchlorate anions have been investigated. All compounds have been structurally characterized and analyzed using thermal gravimetric analysis. The decomposition residues were analyzed using powder diffraction methods. Almost all compounds showed a characteristically intense exothermic decomposition step during the thermal decomposition, most likely caused by an intramolecular redox reaction between the nitrate or perchlorate anion respectively and the organic solvent molecules. The nitrates RE(NO 3 ) 3 (CH(OCH 3 ) 3 ) 2 (RE = Sm, Eu) were isolated and characterized for the first time as the intermediate of the dehydration reaction with trimethyl orthoformate. The known compound group of dimethoxyethane solvates was then expanded with RE(NO 3 ) 3 (O 2 C 4 H 10 ) (RE = La, Sm, Eu). Considering the possible use as precursor material the already described neodymium compound is also discussed. The thermal decomposition of these compounds yields the respective cubic rare earth oxide and shows the typical intense exothermic decomposition reaction. A variety of different precursor system based on nitrate solvates for the deposition of rare earth oxide layers on a silicon surface was developed and investigated in collaboration with the group of Prof. Dr. Al-Shamery (Univ. Oldenburg). Ultra thin films on a H-Si(111) surface were obtained via the deposition of the precursor, which was dissolved in organic solvents. An oxide layer was detected after the heating of the sample. The film thickness was measured as < 10 nm, whereas the thickness of the film was controlled by the concentration of the precursor solution. Sm(ClO 4 ) 3 (CH(OCH 3 ) 3 ) 3 was isolated and characterized for the first time as the intermediate of the dehydration reaction with trimethyl orthoformate. Eu(ClO 4 ) 3 (CH(OCH 3 ) 3 ) 2 (MeOH) 2 was obtained without recrystallization. The methanol molecules, formed during the hydrolysis of the trimethyl

Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material.

Science.gov (United States)

Zhao, Xin; Wang, Cai-Zhuang; Kim, Minsung; Ho, Kai-Ming

2017-12-04

Fe-cluster-based crystal structures are predicted for chalcogenides Fe 3 X 4 (X = S, Se, Te) using an adaptive genetic algorithm. Topologically different from the well-studied layered structures of iron chalcogenides, the newly predicted structures consist of Fe clusters that are either separated by the chalcogen atoms or connected via sharing of the vertex Fe atoms. Using first-principles calculations, we demonstrate that these structures have competitive or even lower formation energies than the experimentally synthesized Fe 3 X 4 compounds and exhibit interesting magnetic and electronic properties. In particular, we show that Fe 3 Te 4 can be a good candidate as a rare-earth-free permanent magnet and Fe 3 S 4 can be a magnetic nodal-line topological material.

Quartz Crystal Microbalance: A tool for analyzing loss of volatile compounds, gas sorption, and curing kinetics

Energy Technology Data Exchange (ETDEWEB)

Bajric, Sendin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-03-16

Los Alamos National Laboratory (LANL) has recently procured a quartz crystal microbalance (QCM). Current popular uses are biological sensors, surface chemistry, and vapor detection. LANL has projects related to analyzing curing kinetics, measuring gas sorption on polymers, and analyzing the loss of volatile compounds in polymer materials. The QCM has yet to be employed; however, this review will cover the use of the QCM in these applications and its potential.

Recovery of krypton-85 from dissolver off-gas streams

International Nuclear Information System (INIS)

Law, J.P.; Lamb, K.M.

1988-01-01

The Rare Gas Plant at the Idaho Chemical Processing Plant Recovers fission product krypton and xenon from dissolver off gas streams. Recently the system was upgraded to allow processing of hydrogen rich dissolver off-gas streams. A trickle bed hydrogen recombiner was installed and tested. The Rare Gas Plant can now safely process gas streams containing up to 80% hydrogen

Heated uranium tetrafluoride target system to release non-rare gas fission products for the TRISTAN isotope separator

International Nuclear Information System (INIS)

Gill, R.L.

1977-10-01

Off-line experiments indicated that fluorides of As, Se, Br, Kr, Zr, Nb, Mo, Tc, Ru, Sb, Te, I and Xe could be volatilized, but except for Br, Kr, I and Xe, none of these elements were observed after mass separation in the on-line experiments. The results of the on-line experiments indicated a very low level of hydride contamination at ambient temperature and consequently, uranium tetrafluoride replaced uranyl stearate as the primary gaseous fission product target. Possible reasons for the failure of the heated target system to yield non-rare gas activities are discussed and suggestions for designing a new heated target system are presented

Characterization of odor-active compounds in cooked meat of farmed obscure puffer (Takifugu obscurus using gas chromatography–mass spectrometry–olfactometry

Directory of Open Access Journals (Sweden)

Ning-Ping Tao

2014-12-01

Full Text Available The volatile and odor-active compounds in cooked meat of farmed obscure puffer (Takifugu obscurus were analyzed by gas chromatography–mass spectrometry–olfactometry (GC–MS–O. The volatile compounds were extracted by the simultaneous distillation–extraction (SDE method, then separated and identified by GC–MS. Odor-active compounds in the SDE extract were characterized by GC–MS–O. A total of 68 volatile compounds were found, including 23 aldehydes, 10 alcohols, nine ketones, 17 N- or S-containing compounds and aromatics, three acids, three alkanes, and three esters. Of these, 31 odor-active compounds were detected and identified. Trimethylamine (fishy, octanal (grassy, leafy, green, (E-2-octenal (roast, fatty, 1-octen-3-ol (fishy, fatty, mushroom, grassy, 2-ethyl-1-hexanethiol (cooked fish, (E,E-2,4-octadienal (cooked meat, sweet, 2-acetylthiazole (meaty, roast, nutty, sulfur, 2-acetylpyrrole (nutty, walnut, bread were identified as the key odorants in the cooked meat of farmed obscure puffer based on posterior intensity and time-intensity methods.

China's rare-earth industry

Science.gov (United States)

Tse, Pui-Kwan

2011-01-01

Introduction China's dominant position as the producer of over 95 percent of the world output of rare-earth minerals and rapid increases in the consumption of rare earths owing to the emergence of new clean-energy and defense-related technologies, combined with China's decisions to restrict exports of rare earths, have resulted in heightened concerns about the future availability of rare earths. As a result, industrial countries such as Japan, the United States, and countries of the European Union face tighter supplies and higher prices for rare earths. This paper briefly reviews China's rare-earth production, consumption, and reserves and the important policies and regulations regarding the production and trade of rare earths, including recently announced export quotas. The 15 lanthanide elements-lanthanum, cerium, praseodymium, neodymium, promethium, samarium, europium, gadolinium, terbium, dysprosium, holmium, erbium, thulium, ytterbium, and lutetium (atomic numbers 57-71)-were originally known as the rare earths from their occurrence in oxides mixtures. Recently, some researchers have included two other elements-scandium and yttrium-in their discussion of rare earths. Yttrium (atomic number 39), which lies above lanthanum in transition group III of the periodic table and has a similar 3+ ion with a noble gas core, has both atomic and ionic radii similar in size to those of terbium and dysprosium and is generally found in nature with lanthanides. Scandium (atomic number 21) has a smaller ionic radius than yttrium and the lanthanides, and its chemical behavior is intermediate between that of aluminum and the lanthanides. It is found in nature with the lanthanides and yttrium. Rare earths are used widely in high-technology and clean-energy products because they impart special properties of magnetism, luminescence, and strength. Rare earths are also used in weapon systems to obtain the same properties.

Low-energy scattering of excited helium atoms by rare gases

International Nuclear Information System (INIS)

Peach, G.

1978-01-01

The construction of semi-empirical model potentials for systems composed of helium in an excited state (Hestar) and a rare-gas atom (He or Ne) is described. The model of the atom-atom pair which has been adopted is one in which the excited electron is included explicitly, but the residual He + ion and the rare-gas atom are treated simply as cores which may be polarised. The results obtained are in satisfactory agreement with other calculations where they are available. (author)

The industry of metallic rare earths (R.E.)

International Nuclear Information System (INIS)

Poirier, P.

1979-01-01

The following subjects are discussed: rare earths resources (rare earths abondance and world reserves, main ores). Rare earths separation and purification (ionic exchange, solvent extraction). Metallic rare earths and their mixtures, metallothermic reduction of oxides or fluorides (Ca, Mg, Al, Si or rare earth metals), Co-reduction process for intermetallic compounds (SmCo 5 ). Industrial applications of metallic rare earths (traditional applications such as flints, nodular cast iron, steel refining, magnesium industrie, applications under development such as rare earths/cobalt magnets, LaNi 5 for hydrogen storage, special alloys (automotive post combustion), magnetostrictive alloys). Economical problems: rare earth are elements relatively abundant and often at easily accessible prices. However, this group of 15 elements are liable to certain economical restraints. It is difficult to crack ore for only one rare earth. Availability of one given rare earth must be associated with the other corresponding rare earths to absorb all the other rare earths in other applications. Rare-earth industry has a strong expanding rate. 20% per year average for 6 years with Rhone-Poulenc. Thanks to their exceptional, specific characteristics rare earths have a bright future particularly for their metals

A study on artificial rare earth (RE2O3) based neutron absorber.

Science.gov (United States)

Kim, Kyung-O; Kyung Kim, Jong

2015-11-01

A new concept of a neutron absorption material (i.e., an artificial rare earth compound) was introduced for criticality control in a spent fuel storage system. In particular, spent nuclear fuels were considered as a potential source of rare earth elements because the nuclear fission of uranium produces a full range of nuclides. It was also found that an artificial rare earth compound (RE2O3) as a High-Level Waste (HLW) was naturally extracted from pyroprocessing technology developed for recovering uranium and transuranic elements (TRU) from spent fuels. In this study, various characteristics (e.g., activity, neutron absorption cross-section) were analyzed for validating the application possibility of this waste compound as a neutron absorption material. As a result, the artificial rare earth compound had a higher neutron absorption probability in the entire energy range, and it can be used for maintaining sub-criticality for more than 40 years on the basis of the neutron absorption capability of Boral™. Therefore, this approach is expected to vastly improve the efficiency of radioactive waste management by simultaneously keeping HLW and spent nuclear fuel in a restricted space. Copyright © 2015 Elsevier Ltd. All rights reserved.

Rare earths: occurrence, production and applications

International Nuclear Information System (INIS)

Murthy, T.K.S.; Mukherjee, T.K.

2002-01-01

The mining and processing of rare earth minerals, particularly of monazite, began in a modest way in 1880s for commercialized production of mantle for gas lighting. For all major applications up to mid-twentieth century- production of lighter flints, misch metal as a metallurgical alloying agent, colouring, decolourizing and polishing agents for glass, petroleum cracking catalysts and arc-carbons, unseparated or partially separated rare earths were adequate. These applications continue till today. With the development and industrial application of powerful techniques like ion exchange and solvent extraction for the separation of rare earths, the decades after 1960 saw increasing utilization of the specific properties of the individual rare earths. Some of these advanced technological applications include: special glass for optical systems including camera lenses, phosphors for colour television, cathode ray tubes and fluorescent lighting, X-ray intensification screens, high intensity permanent magnets, electro optical devices, lasers, hydrogen storage materials, hydride rechargeable batteries, photomagnetic data storage systems, autoexhaust catalysts, special ceramics of unusual toughness, artificial diamonds and nonpoisonous plastic colorants. The topics covered in the book include rare earths: their story identity, rare earth resources, processing of ores and recovery of mixed rare earths products, separation and purification of rare earths, nonmetallic applications of rare earths, rare earth metals: production and applications, rare earth alloys and their applications, analysis of rare earth, processing of rare earth resources in India by Indian Rare Earth Ltd. and availability and market conditions

[Determination of flavor compounds in foxtail millet wine by gas chromatography-mass spectrometry coupled with headspace solid phase microextraction].

Science.gov (United States)

Liu, Jingke; Zhang, Aixia; Li, Shaohui; Zhao, Wei; Zhang, Yuzong; Xing, Guosheng

2017-11-08

To comprehensively understand flavor compounds and aroma characteristics of foxtail millet wine, extraction conditions were optimized with 85 μm polyacrylate (PA), 100 μm polydimethylsiloxane (PDMS), 75 μm carboxen (CAR)/PDMS and 50/30 μm divinylbenzene (DVB)/CAR/PDMS fibers. The flavor compounds in foxtail millet wine were investigated by gas chromatography-mass spectrometry (GC-MS) coupled with headspace solid phase microextraction (HS-SPME), and the odor characteristics and intensity were analyzed by odor active values (OAVs). The samples of 8 mL were placed in headspace vials with 1.5 g NaCl, then the headspace vials were heated at 60℃ for 40 min. Using HS-SPME with different fibers, a total of 55 flavor compounds were identified from the samples, including alcohols, esters, benzene derivatives, hydrocarbons, acids, aldehydes, ketones, terpenes, phenols and heterocycle compounds. The main flavor compounds were alcohols compounds. According to their OAVs, phenylethyl alcohol, styrene, 1-methyl-naphthalene, 2-methyl-naphthalene, benzaldehyde, benzeneacetaldehyde and 2-methoxy-phenol were established to be odor-active compounds. Phenylethyl alcohol and benzeneacetaldehyde were the most prominent odor-active compounds. PA and PDMS fibers had good extraction effect for polar and nonpolar compounds, respectively. CAR/PDMS and DVB/CAR/PDMS provided a similar compounds profile for moderate polar compounds. This research comprehensively determined flavor compounds of foxtail millet wine, and provided theoretical basis for product development and quality control.

Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.

Science.gov (United States)

Stover, Michele L; Jackson, Virgil E; Matus, Myrna H; Adams, Margaret A; Cassady, Carolyn J; Dixon, David A

2012-03-08

The gas-phase acidities of the 20 L-amino acids have been predicted at the composite G3(MP2) level. A broad range of structures of the neutral and anion were studied to determine the lowest energy conformer. Excellent agreement is found with the available experimental gas-phase deprotonation enthalpies, and the calculated values are within experimental error. We predict that tyrosine is deprotonated at the CO(2)H site. Cysteine is predicted to be deprotonated at the SH but the proton on the CO(2)H is shared with the S(-) site. Self-consistent reaction field (SCRF) calculations with the COSMO parametrization were used to predict the pK(a)'s of the non-zwitterion form in aqueous solution. The differences in the non-zwitterion pK(a) values were used to estimate the free energy difference between the zwitterion and nonzwitterion forms in solution. The heats of formation of the neutral compounds were calculated from atomization energies and isodesmic reactions to provide the first reliable set of these values in the gas phase. Further calculations were performed on five rare amino acids to predict their heats of formation, acidities, and pK(a) values.

Determination of heat purgeable and ambient purgeable volatile organic compounds in water by gas chromatography/mass spectrometry

Science.gov (United States)

Rose, Donna L.; Sandstrom, Mark W.; Murtagh, Lucinda K.

2016-09-08

Two new analytical methods have been developed by the U.S. Geological Survey (USGS) National Water Quality Laboratory (NWQL) that allow the determination of 37 heat purgeable volatile organic compounds (VOCs) (USGS Method O-4437-16 [NWQL Laboratory Schedule (LS) 4437]) and 49 ambient purgeable VOCs (USGS Method O-4436-16 [NWQL LS 4436]) in unfiltered water. This report documents the procedures and initial performance of both methods. The compounds chosen for inclusion in the methods were determined as having high priority by the USGS National Water-Quality Assessment (NAWQA) Program. Both methods use a purge-and-trap technique with gas chromatography/mass spectrometry. The compounds are extracted from the sample by bubbling helium through a 25-milliliter sample. For the polar and less volatile compounds, the sample is heated at 60 degrees Celsius, whereas the less polar and more volatile compounds are purged using a separate analytical procedure at ambient temperature. The compounds are trapped on a sorbent trap, desorbed into a gas chromatograph/mass spectrometer for separation, and then identified and quantified. Sample preservation is recommended for both methods by adding a 1:1 solution of hydrochloric acid (HCl [1:1]) to water samples to adjust the pH to 2. Analysis within 14 days from sampling is recommended.The heat purgeable method (USGS Method O-4437-16) operates with the mass spectrometer in the simultaneous full scan/selected ion monitoring mode. This method supersedes USGS Method O-4024-03 (NWQL LS 4024). Method detection limits (MDLs) for fumigant compounds 1,2-dibromoethane, 1,2-dichloropropane, 1,2,3-trichloropropane, chloropicrin, and 1,2-dibromo-3-chloropropane range from 0.002 to 0.010 microgram per liter (µg/L). The MDLs for all remaining heat purgeable VOCs range from 0.006 µg/L for tert-butyl methyl ether to 3 µg/L for alpha-terpineol. Calculated holding times indicate that 36 of the 37 heat purgeable VOCs are stable for a minimum of 14 days

Interim report on testing of off-gas treatment technologies for abatement of atmospheric emissions of chlorinated volatile organic compounds

International Nuclear Information System (INIS)

Haselow, J.S.; Jarosch, T.R.; Rossabi, J.; Burdick, S.; Lombard, K.

1993-12-01

The purpose of this report is to briefly summarize the results to date of the off-gas treatment program for atmospheric emissions of chlorinated volatile organic compounds (CVOCs), in particular trichloroethylene (TCE) and perchloroethylene (PCE). This program is part of the Department of Energy's Office of Technology Development's Integrated Demonstration for Treatment of Organics in Soil and Water at a Non-Arid Site. The off-gas treatment program was initiated after testing of in-situ air stripping with horizontal wells was completed. That successful test expectedly produced atmospheric emissions of CVOCs that were unabated. It was decided after that test that an off-gas treatment program would complement the Integrated Demonstration not only because off-gas treatment is an integral portion of remediation of CVOC contamination in groundwater and soil but also because several technologies were being developed across the US to mitigate CVOC emissions. A single platform for testing off-gas treatment technologies would facilitate systematic and unbiased evaluation of the emerging technologies

A novel symbiotic-bioreactor for treating odorous compounds in waste gas emissions

Energy Technology Data Exchange (ETDEWEB)

Tsang, Y.F.; Chua, H.; Tam, C.Y.; Chan, S.Y.; Hua, F.L.; Wang, Y.J. [Hong Kong Polytechnic Univ., Hung Hom (Hong Kong)

2006-07-01

A symbiotic microbial consortium was used to treat odorous volatile organic compounds (VOCs) and hydrogen sulphide (H{sub 2}S) from waste gas streams. The consortium was bred in a laboratory-scale bio-trickling reactor packed with coal slag and fire-expanded clay pellets. The flow rate of VOCs and H{sub 2}S was controlled by needle flow meters. The system operated as a trickling filter under the counter-current flow of gas and liquid streams. The trickling liquid was recirculated by a peristaltic pump at a flow rate of 25 mL/min to maintain the moisture content and pH of the system. The pump was connected to a spray nozzle to uniformly spray the trickling liquid on the surface of the packing materials. The recirculation tank was also used to remove excess biomass from the reactor. VOC concentrations in the gaseous phase were analyzed using gas chromatography (GC) equipped with a flame ionization detector. Results of the experiment showed that the symbiotic microbial consortium was able to degrade all introduced VOCs. The system's maximum H{sub 2}S elimination capacity was estimated at 76.2 g/m3 at a constant flow of 4 L/min. However removal efficiency decreased significantly when the H{sub 2}S mass loading was increased to 335.7 g/m3/h. It was concluded that the bioreactor demonstrated superior overall performance with removal efficiencies of over 99 per cent for VOCs and over 98.5 per cent for H{sub 2}S. 14 refs., 2 tabs., 6 figs.

Reduced sulfur compounds in gas from construction and demolition debris landfills.

Science.gov (United States)

Lee, Sue; Xu, Qiyong; Booth, Matthew; Townsend, Timothy G; Chadik, Paul; Bitton, Gabriel

2006-01-01

The biological conversion of sulfate from disposed gypsum drywall to hydrogen sulfide (H(2)S) in the anaerobic environment of a landfill results in odor problems and possible health concerns at many disposal facilities. To examine the extent and magnitude of such emissions, landfill gas samples from wells, soil vapor samples from the interface of the waste and cover soil, and ambient air samples, were collected from 10 construction and demolition (C&D) debris landfills in Florida and analyzed for H(2)S and other reduced sulfur compounds (RSC). H(2)S was detected in the well gas and soil vapor at all 10 sites. The concentrations in the ambient air above the surface of the landfill were much lower than those observed in the soil vapor, and no direct correlation was observed between the two sampling locations. Methyl mercaptan and carbonyl sulfide were the most frequently observed other RSC, though they occurred at smaller concentrations than H(2)S. This research confirmed the presence of H(2)S at C&D debris landfills. High concentrations of H(2)S may be a concern for employees working on the landfill site. These results indicate that workers should use proper personal protection at C&D debris landfills when involved in excavation, landfill gas collection, or confined spaces. The results indicate that H(2)S is sufficiently diluted in the atmosphere to not commonly pose acute health impacts for these landfill workers in normal working conditions. H(2)S concentrations were extremely variable with measurements occurring over a very large range (from less than 3 ppbv to 12,000 ppmv in the soil vapor and from less than 3 ppbv to 50 ppmv in ambient air). Possible reasons for the large intra- and inter-site variability observed include waste and soil heterogeneities, impact of weather conditions, and different site management practices.

Excitation of rare gases in an electron-beam-controlled discharge: report on preliminary experiments

International Nuclear Information System (INIS)

Bingham, F.W.

1976-05-01

Data from the preliminary phase of a study of rare-gas-excimer production in an electron-beam-controlled discharge are presented. The results indicate that it is possible to maintain an arc-free discharge in preionized Ar and Xe gas for a period of several microseconds at applied external E/p values up to 5 V/cm/Torr. In these experiments ultraviolet radiation emitted during the discharge signaled the presence of excited rare-gas molecules. Application of the external electric field significantly enhanced the ultraviolet intensity from xenon-gas discharges but produced little enhancement from argon-gas discharges

Impact of Marcellus Shale natural gas development in southwest Pennsylvania on volatile organic compound emissions and regional air quality.

Science.gov (United States)

Swarthout, Robert F; Russo, Rachel S; Zhou, Yong; Miller, Brandon M; Mitchell, Brittney; Horsman, Emily; Lipsky, Eric; McCabe, David C; Baum, Ellen; Sive, Barkley C

2015-03-03

The Marcellus Shale is the largest natural gas deposit in the U.S. and rapid development of this resource has raised concerns about regional air pollution. A field campaign was conducted in the southwestern Pennsylvania region of the Marcellus Shale to investigate the impact of unconventional natural gas (UNG) production operations on regional air quality. Whole air samples were collected throughout an 8050 km(2) grid surrounding Pittsburgh and analyzed for methane, carbon dioxide, and C1-C10 volatile organic compounds (VOCs). Elevated mixing ratios of methane and C2-C8 alkanes were observed in areas with the highest density of UNG wells. Source apportionment was used to identify characteristic emission ratios for UNG sources, and results indicated that UNG emissions were responsible for the majority of mixing ratios of C2-C8 alkanes, but accounted for a small proportion of alkene and aromatic compounds. The VOC emissions from UNG operations accounted for 17 ± 19% of the regional kinetic hydroxyl radical reactivity of nonbiogenic VOCs suggesting that natural gas emissions may affect compliance with federal ozone standards. A first approximation of methane emissions from the study area of 10.0 ± 5.2 kg s(-1) provides a baseline for determining the efficacy of regulatory emission control efforts.

A study of new rare-earth metal group-13 chalcohalides. Structures, chemistry, and optical properties

International Nuclear Information System (INIS)

Dorhout, P.K.; Van Calcar, P.M.

1998-01-01

Full text: Several new quaternary compounds from the rare-earth metal group-13 chalcohalide family have been prepared from alkaline earth halide flux reactions of binary and elemental starting materials. One compound, for example, Ca 2 La 6G a 2 S 1 4 , crystallizes as needles in an hexagonal cell while another, more disordered structure, La 11 Ga 19 Cl 6 S 42 , crystallizes as monoclinic plates. The former is a condensed structure with channels that contain the alkaline earth element while the latter forms a layered structure containing rare-earth halide clusters within interlayer galleries. These compounds are new members of a family of rare-earth metal main-group chalcogenides which show promise as electroluminescent materials. Structural and spectroscopic studies of these and related compounds will be discussed

Compound Poisson Approximations for Sums of Random Variables

OpenAIRE

Serfozo, Richard F.

1986-01-01

We show that a sum of dependent random variables is approximately compound Poisson when the variables are rarely nonzero and, given they are nonzero, their conditional distributions are nearly identical. We give several upper bounds on the total-variation distance between the distribution of such a sum and a compound Poisson distribution. Included is an example for Markovian occurrences of a rare event. Our bounds are consistent with those that are known for Poisson approximations for sums of...

Chromates (3) and chromates (5) of rare earths

International Nuclear Information System (INIS)

Suponitskij, Yu.L.

1986-01-01

Data on preparation methods, structure and properties of chromates (3, 5) and mixed chromates (3) of rare earths, scandium and yttrium are generalized. Phase diagrams of systems Ln 2 O 3 -Cr 2 O 3 (Ln - rare earths, Sc, Y), chemical and thermodynamic properties of chromates (3, 5), their crystal structure and character of thermal decomposition are considered. Application fields of the compounds mentioned are suggested

Radiological aspects in a monazite based rare earth production facility

International Nuclear Information System (INIS)

Harikumar, M.; Sujata, R.; Chinnaesakki, S.; Tripathi, R.M.; Puranik, V.D.; Nair, N.N.G.

2011-01-01

One of the largest reserves of monazite in the world is present in the Indian subcontinent. Monazite ore has around 8-9% thorium oxide and nearly 60% Rare earth oxides. Selective acid extraction is used to separate the composite rare earths. The main radiological hazard arises from the presence of thorium and its daughter products. Monitoring of the radiation field and air activity in the rare earths plant is done routinely to reduce the radiation exposure to plant personnel. The separation of uranium and rare earths from Thorium concentrate separated from Monazite is being done as a part of the THRUST (Thorium Retrieval, Recovery of Uranium and Re-storage of Thorium) project from 2004 at Indian Rare Earths Limited, Udyogamandal. The radiological aspect for this extraction of uranium and rare earths was studied. The general radiation field in the rare earth production plant was 0.3-5.0 μGyh -1 and the average short lived air activity was 46 ± 7 mWL. The long lived air activity arising from 232 Th is very insignificant radiologically. The occupational radiation exposure for the rare earths separation plant is only 6 % of the total dose and the estimated average individual dose is 1.6 mSv per year. Studies were also done to estimate the residual radioactivity in the separated rare earth compounds using gamma spectrometry and the results showed significant presence of 227 Ac arising due to the protactinium fraction in the thorium concentrate. This activity is not detectable in a freshly separated rare earth compound but can buildup with time. (author)

Characterization of Atypical Off-Flavor Compounds in Natural Cork Stoppers by Multidimensional Gas Chromatographic Techniques.

Science.gov (United States)

Slabizki, Petra; Fischer, Claus; Legrum, Charlotte; Schmarr, Hans-Georg

2015-09-09

Natural cork stoppers with sensory deviations other than the typical cork taint were subgrouped according to their sensory descriptions and compared with unaffected control cork stoppers. The assessment of purge and trap extracts obtained from corresponding cork soaks was performed by heart-cut multidimensional gas chromatography-olfactometry (MDGC-O). The identification of compounds responsible for atypical cork taint detected in MDGC-O was further supported with additional multidimensional GC analysis in combination with mass spectrometric detection. Geosmin and 2-methylisoborneol were mainly found in cork stoppers described as moldy and cellarlike; 3-isopropyl-2-methoxypyrazine and 3-isobutyl-2-methoxypyrazine were found in cork stoppers described with green attributes. Across all cork subgroups, the impact compound for typical cork taint, 2,4,6-trichloroanisole (TCA), was present and is therefore a good marker for cork taint in general. Another potent aroma compound, 3,5-dimethyl-2-methoxypyrazine (MDMP), was also detected in each subgroup, obviously playing an important role with regard to the atypical cork taint. Sensory deviations possibly affecting the wine could be generated by MDMP and its presence should thus be monitored in routine quality control.

Applications of Solid-Phase Microextraction and Gas Chromatography/Mass Spectrometry (SPME-GC/MS in the Study of Grape and Wine Volatile Compounds

Directory of Open Access Journals (Sweden)

Annarita Panighel

2014-12-01

Full Text Available Volatile compounds are responsible for the wine “bouquet”, which is perceived by sniffing the headspace of a glass, and of the aroma component (palate-aroma of the overall flavor, which is perceived on drinking. Grape aroma compounds are transferred to the wine and undergo minimal alteration during fermentation (e.g., monoterpenes and methoxypyrazines; others are precursors of aroma compounds which form in winemaking and during wine aging (e.g., glycosidically-bound volatile compounds and C13-norisoprenoids. Headspace solid phase microextraction (HS-SPME is a fast and simple technique which was developed for analysis of volatile compounds. This review describes some SPME methods coupled with gas chromatography/mass spectrometry (GC/MS used to study the grape and wine volatiles.

Characterization of the Key Aroma Compounds in Proso Millet Wine Using Headspace Solid-Phase Microextraction and Gas Chromatography-Mass Spectrometry

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Jingke Liu

2018-02-01

Full Text Available The volatile compounds in proso millet wine were extracted by headspace solid-phase microextraction (85 μm polyacrylate (PA, 100 μm polydimethylsiloxane (PDMS, 75 μm Carboxen (CAR/PDMS, and 50/30 μm divinylbenzene (DVB/CAR/PDMS fibers, and analyzed using gas chromatography-mass spectrometry; the odor characteristics and intensities were analyzed by the odor activity value (OAV. Different sample preparation factors were used to optimize this method: sample amount, extraction time, extraction temperature, and content of NaCl. A total of 64 volatile compounds were identified from the wine sample, including 14 esters, seven alcohols, five aldehydes, five ketones, 12 benzene derivatives, 12 hydrocarbons, two terpenes, three phenols, two acids, and two heterocycles. Ethyl benzeneacetate, phenylethyl alcohol, and benzaldehyde were the main volatile compounds found in the samples. According to their OAVs, 14 volatile compounds were determined to be odor-active compounds (OAV > 1, and benzaldehyde, benzeneacetaldehyde, 1-methyl-naphthalene, 2-methyl-naphthalene, and biphenyl were the prominent odor-active compounds (OAV > 50, having a high OAV. Principal component analysis (PCA showed the difference of distribution of the 64 volatile compounds and 14 odor-active compounds with four solid-phase microextraction (SPME fibers.

Radioactive waste gas processing systems

International Nuclear Information System (INIS)

Kita, Kaoru; Minemoto, Masaki; Takezawa, Kazuaki.

1981-01-01

Purpose: To effectively separate and remove only hydrogen from hydrogen gas-containing radioactive waste gases produced from nuclear power plants without using large scaled facilities. Constitution: From hydrogen gas-enriched waste gases which contain radioactive rare gases (Kr, Xe) sent from the volume control tank of a chemical volume control system, only the hydrogen is separated in a hydrogen separator using palladium alloy membrane and rare gases are concentrated, volume-decreased and then stored. In this case, an activated carbon adsorption device is connected at its inlet to the radioactive gas outlet of the hydrogen separator and opened at its outlet to external atmosphere. In this system, while only the hydrogen gas permeates through the palladium alloy membrane, other gases are introduced, without permeation, into the activated carbon adsorption device. Then, the radioactive rare gases are decayed by the adsorption on the activated carbon and then released to the external atmosphere. (Furukawa, Y.)

Identification of volatile organic compounds (VOCs in plastic products using gas chromatography and mass spectrometry (GC/MS

Directory of Open Access Journals (Sweden)

Nerlis Pajaro-Castro

2014-10-01

Full Text Available Plastic materials are widely used in daily life. They contain a wide range of compounds with low molecular mass, including monomeric and oligomeric residues of polymerization, solvent-related chemicals residues, and various additives. Plastic products made of expanded polystyrene (EPS are currently employed as food containers. This study therefore sought to identify volatile organic compounds released by EPS from food packages and utensils used in Cartagena, Colombia. EPS-based plates, food and soup containers were subjected to various temperatures and released chemicals captured by solid phase microextraction, followed by on-column thermal desorption and gas chromatography/mass spectrometry analysis. The results revealed the presence of at least 30 different compounds in the EPS-based products examined; the most frequently found were benzaldehyde, styrene, ethylbenzene and tetradecane. The release of these molecules was temperature-dependent. It is therefore advisable to regulate the use of EPS products which may be subjected to heating in order to protect human health by decreasing the exposure to these chemicals.

Investigation of MTBE and aromatic compound concentrations at a gas service station.

Science.gov (United States)

Lin, Chi-Wen; Chiang, Song-Bor; Lu, San-Ju

2005-06-01

Methyl tert-butyl ether (MTBE) has been used as a fuel additive at levels of 2-11% in Taiwan for the past decade. The purpose of this additive is to enhance the octane, replace the use of lead-based anti-knock gasoline additives and reduce aromatic hydrocarbons. However, it is possible that oxygenated fuel has a potential health impact. To determine the air quality impact of MTBE, measurements were made of ambient MTBE and other gasoline constituents at a service station. Additionally, environmental conditions (wind speed, wind direction, and temperature, etc.) that could affect concentrations of emission constituents were measured. Gas samples were analyzed for target MTBE and volatile organic compounds, e.g., benzene and toluene. Ambient samples were collected using Tenax adsorbent tubes for mass spectrometric analysis at a service station located in Changhua County, Taiwan. The resulting measured ambient air concentrations were compared with Taiwan's regulatory standards for hazardous air pollutants. Subsequently, the factors controlling the formation of high-VOC levels at the service station and in the residential neighborhoods were identified. Additionally, the results can provide the Environmental Protection Agency (EPA) of Taiwan with useful information and prompt them to mandate this gas service station to install a refueling vapor recovery system.

Development of a compound energy system for cold region houses using small-scale natural gas cogeneration and a gas hydrate battery

International Nuclear Information System (INIS)

Obara, Shin'ya; Kikuchi, Yoshinobu; Ishikawa, Kyosuke; Kawai, Masahito; Yoshiaki, Kashiwaya

2015-01-01

In this study, an independent energy system for houses in cold regions was developed using a small-scale natural gas CGS (cogeneration), air-source heat pump, heat storage tank, and GHB (gas hydrate battery). Heat sources for the GHB were the ambient air and geothermal resources of the cold region. The heat cycle of CO 2 hydrate as a source of energy was also experimentally investigated. To increase the formation speed of CO 2 hydrates, a ferrous oxide–graphite system catalyst was used. The ambient air of cold regions was used as a heat source for the formation process (electric charge) of the GHB, and the heat supplied by a geothermal heat exchanger was used for the dissociation process (electric discharge). Using a geothermal heat source, fuel consumption was halved because of an increased capacity for hydrate formation in the GHB, a shortening of the charging and discharging cycle, and a decrease in the freeze rate of hydrate formation space. Furthermore, when the GHB was introduced into a cold region house, the application rate of renewable energy was 47–71% in winter. The spread of the GHB can greatly reduce fossil fuel consumption and the associated greenhouse gases released from houses in cold regions. - Highlights: • Compound energy system for cold region houses by a gas hydrate battery was proposed. • Heat sources of a gas hydrate battery are exhaust heat of the CGS and geothermal. • Drastic reduction of the fossil fuel consumption in a cold region is realized

Oil and gas resources of the Cheat Mountain Further Planning Area (RARE II), Randolph County, West Virginia

Science.gov (United States)

Weed, E.G.

1981-01-01

The Wilderness Act (Public Law 88-577, September 3, 1964) and related acts require the U.S. Geological Survey and the U.S. Bureau of Mines to survey certain areas on Federal lands to determine their mineral resource potential. Results must be made available to the public and be submitted to the President and the Congress. This map presents an analysis of the oil and gas resources of the Cheat Mountain Further Planning Area in the Monongahela National Forest, Randolph County, West Virginia. The area was classified as a further planning area during the Second Roadless Area Review and Evaluation (RARE II) by the U.S. Forest Service, January 1979.

Volatile organic compound emissions from the oil and natural gas industry in the Uinta Basin, Utah: point sources compared to ambient air composition

Science.gov (United States)

Warneke, C.; Geiger, F.; Edwards, P. M.; Dube, W.; Pétron, G.; Kofler, J.; Zahn, A.; Brown, S. S.; Graus, M.; Gilman, J.; Lerner, B.; Peischl, J.; Ryerson, T. B.; de Gouw, J. A.; Roberts, J. M.

2014-05-01

The emissions of volatile organic compounds (VOCs) associated with oil and natural gas production in the Uinta Basin, Utah were measured at a ground site in Horse Pool and from a NOAA mobile laboratory with PTR-MS instruments. The VOC compositions in the vicinity of individual gas and oil wells and other point sources such as evaporation ponds, compressor stations and injection wells are compared to the measurements at Horse Pool. High mixing ratios of aromatics, alkanes, cycloalkanes and methanol were observed for extended periods of time and short-term spikes caused by local point sources. The mixing ratios during the time the mobile laboratory spent on the well pads were averaged. High mixing ratios were found close to all point sources, but gas wells using dry-gas collection, which means dehydration happens at the well, were clearly associated with higher mixing ratios than other wells. Another large source was the flowback pond near a recently hydraulically re-fractured gas well. The comparison of the VOC composition of the emissions from the oil and natural gas wells showed that wet gas collection wells compared well with the majority of the data at Horse Pool and that oil wells compared well with the rest of the ground site data. Oil wells on average emit heavier compounds than gas wells. The mobile laboratory measurements confirm the results from an emissions inventory: the main VOC source categories from individual point sources are dehydrators, oil and condensate tank flashing and pneumatic devices and pumps. Raw natural gas is emitted from the pneumatic devices and pumps and heavier VOC mixes from the tank flashings.

Rare-earth transition-metal intermetallics: Structure-bonding-property relationships

Energy Technology Data Exchange (ETDEWEB)

Han, M. K. [Iowa State Univ., Ames, IA (United States)

2006-01-01

The explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding property relationships. The work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe_13-xSi_x system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn{sub 13}-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides Re_2-xFe₄Si_14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi₂: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb₃Zn_3.6Al_7.4: Partially ordered structure of Tb₃Zn_3.6Al_7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn₃₉(Cr_xAl_1-x)₈₁

Rare-Earth Transition-Metal Intermetallics: Structure-bonding-Property Relationships

Energy Technology Data Exchange (ETDEWEB)

Han, Mi-Kyung [Iowa State Univ., Ames, IA (United States)

2006-01-01

Our explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding-property relationships. Our work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe_13-xSi_x system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn₁₃-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides RE_2-xFe₄Si_14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi₂: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb₃Zn_3.6Al_7.4: Partially ordered structure of Tb_3.6Zn_13-xAl_7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn₃₉(Cr_xAl_1-x

Chapter 3. Determination of semivolatile organic compounds and polycyclic aromatic hydrocarbons in solids by gas chromatography/mass spectrometry

Science.gov (United States)

Zaugg, Steven D.; Burkhardt, Mark R.; Burbank, Teresa L.; Olson, Mary C.; Iverson, Jana L.; Schroeder, Michael P.

2006-01-01

A method for the determination of 38 polycyclic aromatic hydrocarbons (PAHs) and semivolatile organic compounds in solid samples is described. Samples are extracted using a pressurized solvent extraction system. The compounds of interest are extracted from the solid sample twice at 13,800 kilopascals; first at 120 degrees Celsius using a water/isopropyl alcohol mixture (50:50, volume-to-volume ratio), and then the sample is extracted at 200 degrees Celsius using a water/isopropyl alcohol mixture (80:20, volume-to-volume ratio). The compounds are isolated using disposable solid-phase extraction (SPE) cartridges containing divinylbenzene-vinylpyrrolidone copolymer resin. The cartridges are dried with nitrogen gas, and then sorbed compounds are eluted from the SPE material using a dichloromethane/diethyl ether mixture (80:20, volume-to-volume ratio) and passed through a sodium sulfate/Florisil SPE cartridge to remove residual water and to further clean up the extract. The concentrated extract is solvent exchanged into ethyl acetate and the solvent volume reduced to 0.5 milliliter. Internal standard compounds are added prior to analysis by capillary-column gas chromatography/mass spectrometry. Comparisons of PAH data for 28 sediment samples extracted by Soxhlet and the accelerated solvent extraction (ASE) method described in this report produced similar results. Extraction of PAH compounds from standard reference material using this method also compared favorably with Soxhlet extraction. The recoveries of PAHs less than molecular weight 202 (pyrene or fluoranthene) are higher by up to 20 percent using this ASE method, whereas the recoveries of PAHs greater than or equal to molecular weight 202 are equivalent. This ASE method of sample extraction of solids has advantages over conventional Soxhlet extraction by increasing automation of the extraction process, reducing extraction time, and using less solvent. Extract cleanup also is greatly simplified because SPE replaces

SEPARATION OF TRANSURANIC ELEMENTS FROM RARE EARTH COMPOUNDS

Science.gov (United States)

Kohman, T.P.

1961-11-21

A process of separating neptunium and plutonium values from rare earths and alkaline earth fission products present on a solid mixed actinide carrier (Th or U(IV) oxalate or fluoride) --fission product carrier (LaF/sub 3/, CeF/sub 3/, SrF/sub 2/, CaF/sub 2/, YF/sub 3/, La oxalate, cerous oxalate, Sr oxalate, Ca oxalate or Y oxalate) by extraction of the actinides at elevated temperature with a solution of ammonium fluoride and/or ammonium oxalate is described. Separation of the fission-product-containing carriers from the actinide solution formed and precipitation of the neptunium and plutonium from the solution with mineral acid are also accomplished. (AEC)

Structural studies of novel coordination compounds run in the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

International Nuclear Information System (INIS)

Antipin, M.Yu.; Starikova, Z.A.; Yanovskij, A.I.; Dolgushin, F.M.; Lysenko, K.A.; Khrustalev, V.N.; Vorontsov, I.I.; Korlyukov, A.A.; Andreev, G.B.; Neretin, I.S.

2001-01-01

The results of the investigation into structural chemistry of coordination compounds taking place in the X-ray Laboratory of the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences are given. The review gives an idea on the tendencies to structural researches of complexes of varying categories of coordination compounds, among which are lithium, strontium, cadmium compounds, rare earth compounds, transuranium compounds, transition element compounds, carboranes, fullerenes. An attempt was made to prove the structure and reveal the novel structural and crystallochemical regularities in the studied series of relative compounds. The outlooks for the following progress of studies on this field are determined [ru

Aroma compounds in sweet whey powder.

Science.gov (United States)

Mahajan, S S; Goddik, L; Qian, M C

2004-12-01

Aroma compounds in sweet whey powder were investigated in this study. Volatiles were isolated by solvent extraction followed by solvent-assisted flavor evaporation. Fractionation was used to separate acidic from nonacidic volatiles. Gas chromatography/mass spectrometry and gas chromatography/olfactometry were used for the identification of aroma compounds. Osme methodology was applied to assess the relative importance of each aroma compound. The most aroma-intense free fatty acids detected were acetic, propanoic, butanoic, hexanoic, heptanoic, octanoic, decanoic, dodecanoic, and 9-decenoic acids. The most aroma-intense nonacidic compounds detected were hexanal, heptanal, nonanal, phenylacetaldehyde, 1-octen-3-one, methional, 2,6-dimethylpyrazine, 2,5-dimethylpyrazine, 2,3-dimethylpyrazine, 2,3,5-trimethylpyrazine, furfuryl alcohol, p-cresol, 2-acetylpyrrole, maltol, furaneol, and several lactones. This study suggested that the aroma of whey powder could comprise compounds originating from milk, compounds generated by the starter culture during cheese making, and compounds formed during the manufacturing process of whey powder.

Determination of volatile compounds in grape distillates by solid-phase extraction and gas chromatography.

Science.gov (United States)

Lukić, Igor; Banović, Mara; Persurić, Dordano; Radeka, Sanja; Sladonja, Barbara

2006-01-06

Solid-phase extraction (SPE) procedure on octadecylsilica (C18) was developed for accumulation of volatile compounds from grape distillates. The procedure was optimised for final analysis by capillary gas chromatography. At mass concentrations in model solutions ranging from 0.1 to 50 mg/l solid-phase extraction recoveries of all analytes ranged from 69% for 2-phenylethanol to 102% for capric acid, with RSD values from 2 to 9%. SPE recoveries of internal standards to be added in the sample solution prior to extraction, higher alcohols 2-ethyl-1-hexanol and 1-undecanol, were 97 and 93%, respectively, with RSD values of 3%. Detection limits of analyzed compounds in model solutions ranged from 0.011 mg/l for isoamyl acetate to 0.037 mg/l for caproic acid. Method efficiency was tested in relation to acetic acid content, volume fraction of ethanol and possible matrix effects. A significant influence of matrix on SPE efficiency for geraniol, cis-2-hexen-1-ol and cis-3-hexen-1-ol was detected. For the same reason, 2-phenylethanol could not be determined by developed SPE method in samples of grape distillates. The developed solid-phase extraction method was successfully applied to determine the differences in volatile compound content in different grape distillates produced by the distillation of crushed, pressed and fermented grapes.

Effect of Gas Flowrate on Nucleation Mechanism of MWCNTs for a Compound Catalyst

Directory of Open Access Journals (Sweden)

S. Shukrullah

2017-01-01

Full Text Available Activation of the catalyst particles during a CVD process can be anticipated from the carbon feeding rate. In this study, Fe2O3/Al2O3 catalyst was synthesized with uniformly dispersed iron over alumina support for onward production of multiwalled carbon nanotubes (MWCNTs in a fluidized bed chemical CVD reactor. The effect of the ethylene flowrate on catalytic activity of the compound catalyst and morphology of the as-grown MWCNTs was also investigated in this study. The dispersed active phases of the catalyst and optimized gas flowrate helped in improving the tube morphology and prevented the aggregation of the as-grown MWCNTs. The flowrates, below 100 sccm, did not provide sufficient reactants to interact with the catalyst for production of defect-free CNT structures. Above 100 sccm, concentration of the carbon precursor did not show notable influence on decomposition rate of the gas molecules. The most promising results on growth and structural properties of MWCNTs were gained at ethylene flowrate of 100 sccm. At this flowrate, the ratio of G and D intensity peaks (IG/ID was deliberated about 1.40, which indicates the growth of graphitic structures of MWCNTs.

A study on dehydration of rare earth chloride hydrate

International Nuclear Information System (INIS)

Cho, Yong Zun; Eun, Hee Chul; Son, Sung Mo; Lee, Tae Kyo; Hwang, Taek Sung

2012-01-01

The dehydration schemes of rare earth (La, Ce, Nd, Pr, Sm. Eu, Gd, Y) chloride hydrates was investigated by using a dehydration apparatus. To prevent the formation of the rare earth oxychlorides, the operation temperature was changed step by step (80→150→230 degree C) based on the TGA (thermo-gravimetric analysis) results of the rare earth chloride hydrates. A vacuum pump and preheated Ar gas were used to effectively remove the evaporated moisture and maintain an inert condition in the dehydration apparatus. The dehydration temperature of the rare earth chloride hydrate was increased when the atomic number of the rare earth nuclide was increased. The content of the moisture in the rare earth chloride hydrate was decreased below 10% in the dehydration apparatus.

Mathematical modeling of blood-gas kinetics for the volatile organic compounds isoprene and acetone

International Nuclear Information System (INIS)

King, J.

2010-01-01

Breath gas analysis is based on the compelling concept that the exhaled breath levels of endogenously produced volatile organic compounds (VOCs) can provide a direct, non-invasive window to the blood and hence, by inference, to the body. In this sense, breath VOCs are regarded as a comprehensive repository of valuable physiological and clinical information, that might be exploited in such diverse areas as diagnostics, therapeutic monitoring or general dynamic assessments of metabolic function, pharmacodynamics (e.g., in drug testing) and environmental exposure (e.g., in occupational health). Despite this enormous potential, the lack of standardized breath sampling regimes as well as the poor mechanistic understanding of VOC exhalation kinetics could cast a cloud over the widespread use of breath gas analysis in the biomedical sciences. In this context, a primary goal of the present thesis is to provide a better quantitative insight into the breath behavior of two prototypic VOCs, isoprene and acetone. A compartmental modeling framework is developed and validated by virtue of real-time breath measurements of these trace gases during distinct physiological states. In particular, the influence of various hemodynamic and ventilatory parameters on VOC concentrations in exhaled breath is investigated. This approach also complements previous steady state investigations in toxicology. From a phenomenological point of view, both acetone and isoprene concentrations in end-tidal breath are demonstrated to exhibit a reproducible non-steady state behavior during moderate workload challenges on a stationary bicycle. However, these dynamics depart drastically from what is expected on the basis of classical pulmonary inert gas elimination theory. More specifically, the start of exercise is accompanied by an abrupt increase in breath isoprene levels, usually by a factor of 3 to 4 compared with the steady state value during rest. This phase is followed by a gradual decline and the

Improving Students' Understanding of the Connections between the Concepts of Real-Gas Mixtures, Gas Ideal-Solutions, and Perfect-Gas Mixtures

Science.gov (United States)

Privat, Romain; Jaubert, Jean-Noël; Moine, Edouard

2016-01-01

In many textbooks of chemical-engineering thermodynamics, a gas mixture obeying the fundamental law pV[subscript m] = RT is most often called ideal-gas mixture (in some rare cases, the term perfect-gas mixture can be found). These textbooks also define the fundamental concept of ideal solution which in theory, can be applied indifferently to…

Removal of tritium from gas-cooled nuclear reactors

International Nuclear Information System (INIS)

Nieder, R.

1976-01-01

Tritium contained in the coolant gas in the primary circuit of a gas cooled nuclear reactor together with further tritium adsorbed on the graphite used as a moderator for the reactor is removed by introducing hydrogen or a hydrogen-containing compound, for example methane or ammonia, into the coolant gas. The addition of the hydrogen or hydrogen-containing compound to the coolant gas causes the adsorbed tritium to be released into the coolant gas and the tritium is then removed from the coolant gas by passing the mixture of coolant gas and hydrogen or hydrogen-containing compound through a gas purification plant before recirculating the coolant gas through the reactor. 14 claims, 1 drawing figure

Addition compounds between same phosphinoxides and hexafluorophosphates of rare earths (III)

International Nuclear Information System (INIS)

Silva, A.M. da; Melo, S.M.; Souza, E.F. de; Almeida, M.A. de

1984-01-01

Coordination compounds were prepared from salts of lanthanide hexafluorophosphates and three different phosphine oxides: methyldiphenylphosphine oxide (MDPPO), diphenylcyclohexylphosphine oxide (DPcHPO) and phosphoric acid trimethylester (TMxPO). The analytical results indicated the following general formulae : Ln(PF 6 ) 3 .5DPChPO where Ln = La, Eu, Gd, Tb and Dy; Ln(PF 6 ) 3 6MDPPO, where Ln = La, Ce, Nd, Eu, Gd, and Tm; Ln(PF 6 ) 3 .7TMxPO, where Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm and Yb. The vibrational studies in the infrared region showed that all the phosphine oxides coordination are through the oxygen of the phosphoryl group and confirmed the non-coordination character of the PF - 6 ion. Fluorescence spectra in the visible region for the Eu (III) compounds, at the liquid nitrogen temperature indicated the microsymmetry C sub(3v) as the most probable for the Eu (III) in the compounds Eu (PF 6 ) 3 .5DPChPO and Eu (PF 6 ) 3 .7TMxPO. The symmetry site of the Eu (PF 6 ) 3 .6MDPPO compound is octahedral with tetragonal distortion. (Author) [pt

Generation of standard gas mixtures of halogenated, aliphatic, and aromatic compounds and prediction of the individual output rates based on molecular formula and boiling point.

Science.gov (United States)

Thorenz, Ute R; Kundel, Michael; Müller, Lars; Hoffmann, Thorsten

2012-11-01

In this work, we describe a simple diffusion capillary device for the generation of various organic test gases. Using a set of basic equations the output rate of the test gas devices can easily be predicted only based on the molecular formula and the boiling point of the compounds of interest. Since these parameters are easily accessible for a large number of potential analytes, even for those compounds which are typically not listed in physico-chemical handbooks or internet databases, the adjustment of the test gas source to the concentration range required for the individual analytical application is straightforward. The agreement of the predicted and measured values is shown to be valid for different groups of chemicals, such as halocarbons, alkanes, alkenes, and aromatic compounds and for different dimensions of the diffusion capillaries. The limits of the predictability of the output rates are explored and observed to result in an underprediction of the output rates when very thin capillaries are used. It is demonstrated that pressure variations are responsible for the observed deviation of the output rates. To overcome the influence of pressure variations and at the same time to establish a suitable test gas source for highly volatile compounds, also the usability of permeation sources is explored, for example for the generation of molecular bromine test gases.

Comparative investigation of pure and mixed rare gas atoms on coronene molecules.

Science.gov (United States)

Rodríguez-Cantano, Rocío; Bartolomei, Massimiliano; Hernández, Marta I; Campos-Martínez, José; González-Lezana, Tomás; Villarreal, Pablo; Pérez de Tudela, Ricardo; Pirani, Fernando; Hernández-Rojas, Javier; Bretón, José

2017-01-21

Clusters formed by the combination of rare gas (RG) atoms of He, Ne, Ar, and Kr on coronene have been investigated by means of a basin-hopping algorithm and path integral Monte Carlo calculations at T = 2 K. Energies and geometries have been obtained and the role played by the specific RG-RG and RG-coronene interactions on the final results is analysed in detail. Signatures of diffuse behavior of the He atoms on the surface of the coronene are in contrast with the localization of the heavier species, Ar and Kr. The observed coexistence of various geometries for Ne suggests the motion of the RG atoms on the multi-well potential energy surface landscape offered by the coronene. Therefore, the investigation of different clusters enables a comparative analysis of localized versus non-localized features. Mixed Ar-He-coronene clusters have also been considered and the competition of the RG atoms to occupy the docking sites on the molecule is discussed. All the obtained information is crucial to assess the behavior of coronene, a prototypical polycyclic aromatic hydrocarbon clustering with RG atoms at a temperature close to that of interstellar medium, which arises from the critical balance of the interactions involved.

Magnetic properties of rare-earth intermetallics

International Nuclear Information System (INIS)

Kirchmayr, H.

1978-01-01

A review is given of the concepts at present used to explain the magnetic properties of rare-earth intermetallics which have been the subject of numerous investigations in recent years. Rare-earth intermetallics with the formula Rsub(a)Bsub(b) are divided according to the magnetic moment of the B atom(s). If there is no magnetic moment present at the B-site, the exchange is only between the magnetic moments at the R-sites, which can only be of indirect character. One possible model is still the RKKY model, although it usually gives in practice only a qualitative description of the magnetic properties. Typical R-B compounds with the B-moment equal to zero are (for instance) the RA1 2 compounds, and related compounds such as the RZn and RCd compounds as well as compounds of the general formula RB 2 (B = Ni, Os, Ir, Pd, Ru or Rh). Of all intermetallics with nonzero B-moment, the R-3d intermetallics are the most important. These intermetallics can be formed with Mn, Fe, Co and Ni. In these systems there exist in principle three interactions, namely between the R-R, R-3d and 3d-3d atoms. The most important is usually the latter interaction. After a short discussion of the crystal structures which occur with R-3d intermetallics, the basic magnetic properties of R-3d intermetallics are presented. These properties are discussed with respect to the formation of a magnetic moment at the 3d site in the framework of present band theories. Special emphasis is given to a discussion of the localized or itinerant character of 3d electrons. (author)

Solid-phase synthesis of compounds of europium and terbium with nitrogen-containing heterocyclic compounds under mechanical activation

International Nuclear Information System (INIS)

Kalinovskaya, I.V.; Karasev, V.E.

2000-01-01

Effect of solvents and parameters of mechanical treatment on basic regularities of synthesis of rare earth compounds with nitrogen-containing heterocyclic compounds is studied. It is shown that interaction on europium (3) and terbium (3) nitrates with nitrogen-containing heterocyclic compounds leads to formation of compounds of Ln(NO 3 )·2D composition, where Ln=Eu, Tb; D=2,2-dipyridyl, 1,10-phenanthroline, diphenylguanidine. Effect of conditions of mechanical treatment and different additions on process and yield of products is studied. Compounds prepared are characterized by the methods of chemical element analysis, IR spectroscopy and luminescent spectroscopy [ru

Field-induced valence transition in rare-earth system

International Nuclear Information System (INIS)

Chattopadhaya, A.; Ghatak, S.K.

2000-01-01

The magnetic field-induced valence transition in rare-earth compound has been examined based on a pseudospin S=1 Ising model proposed earlier for valence transition. The model includes finite mixing between two pertinent ionic configurations (magnetic and non-magnetic) separated by an energy gap and with intersite interaction between rare-earth ions. Using the mean field approximation the magnetic behaviour and the critical field (H c ) for transition are obtained as a function of energy gap and temperature. The phase boundary defined in terms of reduced field H c /H co and reduced temperature T/T v (T v being valence transition temperature in absence of field) is nearly independent of energy gap. These results are in qualitative agreement with experimental observation in Yb- and Eu-compounds

The Determination of Pesticidal and Non-Pesticidal Organotin Compounds by in situ Ethylation and Capillary Gas Chromatography with Pulsed Flame Photometric Detection

Science.gov (United States)

The concurrent determination of pesticidal and non-pesticidal organotin compounds in several water matrices, using a simultaneous in situ ethylation and liquid-liquid extraction followed by splitless injection mode capillary gas chromatography with pulsed flame photometric detect...

Physical properties of layered homologous RE-B-C(N) compounds

International Nuclear Information System (INIS)

Mori, Takao; Zhang Fuxiang; Leithe-Jasper, Andreas

2004-01-01

Physical properties of a series of homologous RE-B-C(N) B 12 cluster compounds REB 17 CN, REB 22 C 2 N, and REB 28.5 C 4 (RE=Er,Ho) were investigated. The structures of the compounds are layer-like along the c-axis, with rare earth and B 6 octahedral layers separated by B 12 icosahedral and C-B-C chain layers whose number increases successively from two B 12 layers for the REB 17 CN compound to four for the REB 28.5 C 4 compound. The rare earth atoms are configured in two triangular flat layers which are stacked on top of one another in AB stacking where the nearest-neighbor rare earth directions are the three atoms forming a triangle in the adjacent layer. The series of homologous compounds exhibit a spin glass transition with T f shifting in correspondence with variations of the basal plane lattice constants, consistent with the magnetic interaction being effective in the basal planes. The isothermal remanent magnetization shows a stretched exponential decay I m (t)∝ exp[-Ct -(1-n) ]. Exponents determined for the different homologous compounds were scaled as a function of T r =T/T f and found to follow the empirical dependency determined for typical spin glasses. It is indicated that a mixture of disorder originating from the partial occupancy of the rare earth sites and frustration of interactions due to the unique configuration is responsible for the manifestation of spin glass transitions in these homologous systems

Rare Earth Polyoxometalates.

Science.gov (United States)

Boskovic, Colette

2017-09-19

Longstanding and important applications make use of the chemical and physical properties of both rare earth metals and polyoxometalates of early transition metals. The catalytic, optical, and magnetic features of rare earth metal ions are well-known, as are the reversible multielectron redox and photoredox capabilities of polyoxomolybdates and polyoxotungstates. The combination of rare earth ions and polyoxometalates in discrete molecules and coordination polymers is of interest for the unique combination of chemical and physical properties that can arise. This Account surveys our efforts to synthesize and investigate compounds with rare earth ions and polyoxometalates (RE-POMs), sometimes with carboxylate-based organic coligands. Our general synthetic approach is "bottom-up", which affords well-defined nanoscale molecules, typically in crystalline form and amenable to single-crystal X-ray diffraction for structure determination. Our particular focus is on elucidation of the physical properties conferred by the different structural components with a view to ultimately being able to tune these properties chemically. For this purpose, we employ a variety of spectroscopic, magnetochemical, electrochemical, and scattering techniques in concert with theoretical modeling and computation. Studies of RE-POM single-molecule magnets (SMMs) have utilized magnetic susceptibility, inelastic neutron scattering, and ab initio calculations. These investigations have allowed characterization of the crystal field splitting of the rare earth(III) ions that is responsible for the SMM properties of slow magnetic relaxation and magnetization quantum tunneling. Such SMMs are promising for applications in quantum computing and molecular spintronics. Photophysical measurements of a family of hybrid RE-POMs with organic ligands have afforded insights into sensitization of Tb(III) and Eu(III) emission through both organic and polyoxometalate chromophores in the same molecule. Detailed

Gas-phase naphthalene concentration data recovery in ambient air and its relevance as a tracer of sources of volatile organic compounds

Science.gov (United States)

Uria-Tellaetxe, Iratxe; Navazo, Marino; de Blas, Maite; Durana, Nieves; Alonso, Lucio; Iza, Jon

2016-04-01

Despite the toxicity of naphthalene and the fact that it is a precursor of atmospheric photooxidants and secondary aerosol, studies on ambient gas-phase naphthalene are generally scarce. Moreover, as far as we are concerned, this is the first published one using long-term hourly ambient gas-phase naphthalene concentrations. In this work, it has been also demonstrated the usefulness of ambient gas-phase naphthalene to identify major sources of volatile organic compounds (VOC) in complex scenarios. Initially, in order to identify main benzene emission sources, hourly ambient measurements of 60 VOC were taken during a complete year together with meteorological data in an urban/industrial area. Later, due to the observed co-linearity of some of the emissions, a procedure was developed to recover naphthalene concentration data from recorded chromatograms to use it as a tracer of the combustion and distillation of petroleum products. The characteristic retention time of this compound was determined comparing previous GC-MS and GC-FID simultaneous analysis by means of relative retention times, and its concentration was calculated by using relative response factors. The obtained naphthalene concentrations correlated fairly well with ethene (r = 0.86) and benzene (r = 0.92). Besides, the analysis of daily time series showed that these compounds followed a similar pattern, very different from that of other VOC, with minimum concentrations at day-time. This, together with the results from the assessment of the meteorological dependence pointed out a coke oven as the major naphthalene and benzene emitting sources in the study area.

Fig volatile compounds--a first comparative study.

Science.gov (United States)

Grison-Pigé, Laure; Hossaert-McKey, Martine; Greeff, Jaco M; Bessière, Jean-Marie

2002-09-01

We analysed the compounds of volatile blends released by receptive figs of twenty Ficus species to attract their specific pollinating wasps. In all, 99 different compounds were identified. The compounds are mainly terpenoids, aliphatic compounds and products from the shikimic acid pathway. In each species blend, there are few major compounds, which are generally common among floral fragrances. Most species blends also include rare compounds, but generally their proportion in the blend is low. A possible basis for species-specificity of Ficus-wasp interactions is discussed in relation to the patterns of volatiles found in this interspecies comparison. Copyright 2002 Elsevier Science Ltd.

Quasiclassical trajectory study of the energy transfer in CO2--rare gas systems

International Nuclear Information System (INIS)

Suzukawa, H.H. Jr.; Wolfsberg, M.; Thompson, D.L.

1978-01-01

Computational methods are presented for the study of collisions between a linear, symmetric triatomic molecule and an atom by three-dimensional quasiclassical trajectory calculations. Application is made to the investigation of translational to rotational and translational to vibrational energy transfer in the systems CO 2 --Kr, CO 2 --Ar, and CO 2 --Ne. Potential-energy surfaces based on spectroscopic and molecular beam scattering data are used. In most of the calculations, the CO 2 molecule is initially in the quantum mechanical zero-point vibrational state and in a rotational state picked from a Boltzmann distribution at 300 0 K. The energy transfer processes are investigated for translational energies ranging from 0.1 to 10 eV. Translational to rotational energy transfer is found to be the major process for CO 2 --rare gas collisions at these energies. Below 1 eV there is very little translational to vibrational energy transfer. The effects of changes in the internal energy of the molecule, in the masses of the collidants, and in the potential-energy parameters are studied in an attempt to gain understanding of the energy transfer processes

Microstructure and magnetic properties of inert gas atomized rare earth permanent magnetic materials

International Nuclear Information System (INIS)

Sellers, C.H.; Hyde, T.A.; Branagan, D.J.; Lewis, L.H.; Panchanathan, V.

1997-01-01

Several permanent magnet alloys based on the ternary Nd 2 Fe 14 B (2-14-1) composition have been prepared by inert gas atomization (IGA). The microstructure and magnetic properties of these alloys have been studied as a function of particle size, both before and after heat treatment. Different particle sizes have characteristic properties due to the differences in cooling rate experienced during solidification from the melt. These properties are also strongly dependent on the alloy composition due to the cooling rate close-quote s effect on the development of the phase structure; the use of rare earth rich compositions appears necessary to compensate for a generally inadequate cooling rate. After atomization, a brief heat treatment is necessary for the development of the optimal microstructure and magnetic properties, as seen from the hysteresis loop shape and improvements in key magnetic parameters (intrinsic coercivity H ci , remanence B r , and maximum energy product BH max ). By adjusting alloy compositions specifically for this process, magnetically isotropic powders with good magnetic properties can be obtained and opportunities for the achievement of better properties appear to be possible. copyright 1997 American Institute of Physics

Identification of organic sulfur compounds in coal bitumen obtained by different extraction techniques using comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometric detection

Energy Technology Data Exchange (ETDEWEB)

Machado, Maria Elisabete; Cappelli Fontanive, Fernando; Bastos Caramao, Elina; Alcaraz Zini, Claudia [Universidade Federal do Rio Grande do Sul, Instituto de Quimica, Porto Alegre, RS (Brazil); Oliveira, Jose Vladimir de [URI, Universidade Regional Integrada do Alto Uruguai e das Missoes, Erechim, RS (Brazil)

2011-11-15

The determination of organic sulfur compounds (OSC) in coal is of great interest. Technically and operationally these compounds are not easily removed and promote corrosion of equipment. Environmentally, the burning of sulfur compounds leads to the emission of SO{sub x} gases, which are major contributors to acid rain. Health-wise, it is well known that these compounds have mutagenic and carcinogenic properties. Bitumen can be extracted from coal by different techniques, and use of gas chromatography coupled to mass spectrometric detection enables identification of compounds present in coal extracts. The OSC from three different bitumens were tentatively identified by use of three different extraction techniques: accelerated solvent extraction (ASE), ultrasonic extraction (UE), and supercritical-fluid extraction (SFE). Results obtained from one-dimensional gas chromatography (1D GC) coupled to quadrupole mass spectrometric detection (GC-qMS) and from two-dimensional gas chromatography with time-of-flight mass spectrometric detection (GC x GC-TOFMS) were compared. By use of 2D GC, a greater number of OSC were found in ASE bitumen than in SFE and UE bitumens. No OSC were identified with 1D GC-qMS, although some benzothiophenes and dibenzothiophenes were detected by use of EIM and SIM modes. GC x GC-TOFMS applied to investigation of OSC in bitumens resulted in analytical improvement, as more OSC classes and compounds were identified (thiols, sulfides, thiophenes, naphthothiophenes, benzothiophenes, and benzonaphthothiophenes). The roof-tile effect was observed for OSC and PAH in all bitumens. Several co-elutions among analytes and with matrix interferents were solved by use of GC x GC. (orig.)

Trace-level determination of polar flavour compounds in butter by solid-phase extraction and gas chromatography-mass spectrometry.

Science.gov (United States)

Adahchour, M; Vreuls, R J; van der Heijden, A; Brinkman, U A

1999-06-04

Volatile compounds are responsible for the aromas of butter. A simple technique for the determination of these components is described which is based on solid-phase extraction (SPE) after melting of the butter and separation of the aqueous phase from the fat. Volatile flavours present in the water fraction are collected by off-line SPE on cartidges packed with a copolymer sorbent. After desorption with 500 microliters of methyl acetate, 1-microliter aliquots are quantified and/or identified by gas chromatography-mass spectrometry. The procedure was tested with respect to recovery, linearity and limit of detection in real-life samples using five polar model analytes. It allows the characterisation of polar flavour compounds in butter prior to and after heat treatment at 170 degrees C. From the five model compounds, vanillin, traces of diacetyl and maltol were found to be present in the butter samples. After heat treatment 500-1000-fold increased concentration of maltol, and substantial amounts of furaneol were detected.

Annealing behaviour of high-dose rare-gas implantations into silicon

International Nuclear Information System (INIS)

Williams, J.S.; Grant, W.A.

1976-01-01

The annealing behaviour of 13 -10 17 ions/cm 2 is investigated by RBS and channelling techniques. There appears to be a strong correlation between the degree and nature of the post-anneal (above 650 0 C) remnant Si disorder, the implanted gas concentration and subsequent out-diffusion of the gas species. During the out-diffusion process a fraction of the gas (always less than 10 15 cm -2 ) remains trapped at, or beyond, the ion range and some of the diffusing gas becomes trapped near the target surface; for implantation doses below 10 15 cm -2 , no out-diffusion is observed up to 850 0 C. This behaviour is discussed in terms of the defect structure of the recrystallized implant layer. (author)

Method of processing radioactive gas

International Nuclear Information System (INIS)

Saito, Masayuki.

1978-01-01

Purpose: To reduce the quantity of radioactive gas discharged at the time of starting a nuclear power plant. Method: After the stoppage of a nuclear power plant air containing a radioactive gas is extracted from a main condenser by operating an air extractor. The air is sent into a gaseous waste disposal device, and then introduced into the activated carbon adsorptive tower of a rare gas holdup device where xenon and krypton are trapped. Thereafter, the air passes through pipelines and returned to the main condenser. In this manner, the radioactive gas contained in air within the main condenser is removed during the stoppage of the operation of the nuclear power plant. After the plant has been started, when it enters the normal operation, a flow control valve is closed and another valve is opened, and a purified gas exhausted from the rare gas holdup device is discharged into the atmosphere through an exhaust cylinder. (Aizawa, K.)

A system for removing both oxygen and nitrogen from a rare gas-hydrocarbon mixture

International Nuclear Information System (INIS)

Dijkman, W.H.

1989-01-01

A study has been made how to remove nitrogen from a mixture of a rare gas and a hydrocarbon in addition to the removal of oxygen, H 2 O and gaseous oxides. The purpose was to find a simple method for the purification of drift-chamber gases in a recirculation system. Such a method would reduce the operating costs of the large detectors presently constructed for LEP. A promising technique has been developed. First results of a chemical reactor using the novel technique are presented. The N 2 content of Ar/air mixtures containing up to 28% air could be reduced to a level of 20 ppm at a flow rate of 0.11 m 3 /h (200 ppm at 1.0 m 3 /h); and the O 2 content to 30 and 300 ppm respectively. Water and gaseous oxides concentrations were always below 5 ppm. Some of the practical problems still to be solved are discussed and suggestions are given for further development and applications. The method can in principle be of more general use. (orig.)

Observed damage during Argon gas cluster depth profiles of compound semiconductors

Energy Technology Data Exchange (ETDEWEB)

Barlow, Anders J., E-mail: anders.barlow@ncl.ac.uk; Portoles, Jose F.; Cumpson, Peter J. [National EPSRC XPS Users' Service (NEXUS), School of Mechanical and Systems Engineering, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)

2014-08-07

Argon Gas Cluster Ion Beam (GCIB) sources have become very popular in XPS and SIMS in recent years, due to the minimal chemical damage they introduce in the depth-profiling of polymer and other organic materials. These GCIB sources are therefore particularly useful for depth-profiling polymer and organic materials, but also (though more slowly) the surfaces of inorganic materials such as semiconductors, due to the lower roughness expected in cluster ion sputtering compared to that introduced by monatomic ions. We have examined experimentally a set of five compound semiconductors, cadmium telluride (CdTe), gallium arsenide (GaAs), gallium phosphide (GaP), indium arsenide (InAs), and zinc selenide (ZnSe) and a high-κ dielectric material, hafnium oxide (HfO), in their response to argon cluster profiling. An experimentally determined HfO etch rate of 0.025 nm/min (3.95 × 10{sup −2} amu/atom in ion) for 6 keV Ar gas clusters is used in the depth scale conversion for the profiles of the semiconductor materials. The assumption has been that, since the damage introduced into polymer materials is low, even though sputter yields are high, then there is little likelihood of damaging inorganic materials at all with cluster ions. This seems true in most cases; however, in this work, we report for the first time that this damage can in fact be very significant in the case of InAs, causing the formation of metallic indium that is readily visible even to the naked eye.

Coated air-stable cobalt--rare earth alloy particles and method

International Nuclear Information System (INIS)

Smeggil, J.C.; Charles, R.J.

1975-01-01

A process is described for producing novel air-stable coated particles of a magnetic transition metal-rare earth alloys. An organometallic compound which decomposes at a temperature below 500 0 C is heated to produce a metal vapor which is contacted with particles of a transition metal-rare earth alloy to deposit a metal coating on the particles. (U.S.)

Preparation, thermogravimetric study and infrared spectra of rare earth acetates

International Nuclear Information System (INIS)

Graehlert, X.; Starke, M.

1992-01-01

The anhydrous and the hydrated acetates of Ho, Er, Tm, Yb and Lu have been prepared. The compounds obtained have been investigated by thermogravimetric analysis and infrared spectroscopy. The thermal decomposition of the rare earth acetates may proceed via various steps. It depends on both the number of crystal water molecules in the acetates and the rare earth element's behaviour. (orig.)

Organic compound emissions from a landfarm used for oil and gas solid waste disposal.

Science.gov (United States)

Lyman, Seth N; Mansfield, Marc L

2018-04-13

Solid or sludgy hydrocarbon waste is a by-product of oil and gas exploration and production. One commonly used method of disposing of this waste is landfarming. Landfarming involves spreading hydrocarbon waste on soils, tilling it into the soil, and allowing it to biodegrade. We used a dynamic flux chamber to measure fluxes of methane, a suite of 54 nonmethane hydrocarbons, and light alcohols from an active and a remediated landfarm in eastern Utah. Fluxes from the remediated landfarm were not different from a polytetrafluoroethylene (PTFE) sheet or from undisturbed soils in the region. Fluxes of methane, total nonmethane hydrocarbons, and alcohols from the landfarm in active use were 1.41 (0.37, 4.19) (mean and 95% confidence limits), 197.90 (114.72, 370.46), and 4.17 (0.03, 15.89) mg m -2  hr -1 , respectively. Hydrocarbon fluxes were dominated by alkanes, especially those with six or more carbons. A 2-ha landfarm with fluxes of the magnitude we observed in this study would emit 95.3 (54.3, 179.7) kg day -1 of total hydrocarbons, including 11.2 (4.3, 33.9) kg day -1 of BTEX (benzene, toluene, ethylbenzene, and xylenes). Solid and sludgy hydrocarbon waste from the oil and gas industry is often disposed of by landfarming, in which wastes are tilled into soil and allowed to decompose. We show that a land farm in Utah emitted a variety of organic compounds into the atmosphere, including hazardous air pollutants and compounds that form ozone. We calculate that a 2-ha landfarm facility would emit 95.0 ± 66.0 kg day -1 of total hydrocarbons, including 11.1 ± 1.5 kg day -1 of BTEX (benzene, toluene, ethylbenzene, and xylenes).

Capillary gas-solid chromatography

International Nuclear Information System (INIS)

Berezkin, V.G.

1996-01-01

Modern state of gas adsorption chromatography in open capillary columns has been analyzed. The history of the method development and its role in gas chromatography, ways to construct open adsorptional capillary columns, foundations of the theory of retention and washing of chromatographic regions in gas adsorption capillary columns have been considered. The fields is extensively and for analyzing volatile compounds of different isotopic composition, inorganic and organic gases, volatile organic polar compounds, aqueous solutions of organic compounds. Separation of nuclear-spin isomers and isotopes of hydrogen is the first illustrative example of practical application of the adsorption capillary chromatography. It is shown that duration of protium and deuterium nuclear isomers may be reduced if the column temperature is brought to 47 K

Low-temperature phase MnBi compound: A potential candidate for rare-earth free permanent magnets

International Nuclear Information System (INIS)

Ly, V.; Wu, X.; Smillie, L.; Shoji, T.; Kato, A.; Manabe, A.; Suzuki, K.

2014-01-01

Highlights: • The spin reorientation temperature of MnBi is suppressed by nanoscale grain refinement. • Hardness parameter of MnBi reaches as large as 2.8 at 580 K. • MnBi has a great potential as a hard phase in rare-earth free nanocomposite magnets. • Improving the surface passivity is a remaining task for MnBi-based permanent magnets. - Abstract: The low-temperature phase (LTP) MnBi is one of the few rare-earth free compounds that exhibit a large magnetocrystalline anisotropy energy in the order of 10 6 J/m 3 . A large coercive field (μ 0 H cj ) above 1 T can be obtained readily by reducing the crystallite size (D) through mechanical grinding (MG). The room-temperature H cj values follow a phenomenological expression μ 0 H cj = μ 0 H a (δ/D) n where the anisotropy field (μ 0 H a ) is ∼4 T, the Bloch wall width (δ) is 7 nm and the exponent (n) is about 0.7 in our study. The grain refinement upon MG is accompanied by suppression of the spin reorientation transition temperature (T SR ) from 110 K to below 50 K. The coercive field starts to exhibit positive temperature dependence approximately 50 K above T SR and the room-temperature magnetic hardening induced by MG could partially be brought about by the lowered onset of this positive temperature dependence. The suppression of T SR by MG is likely to be induced by the surface anisotropy with which the 2nd order crystal field term is enhanced. One of the shortcomings of LTP-MnBi is its poor phase stability under the ambient atmosphere. The spontaneous magnetization decreases considerably after room-temperature aging for 1 week. This is due to oxidation of Mn which leads to decomposition of the MnBi phase. Hence, the surface passivity needs to be established before this material is considered for a permanent magnet in practical uses. Another shortcoming is the limited spontaneous magnetization. The theoretical upper limit of the maximum energy product in LTP-MnBi remains only a quarter of that in Nd 2

Low-temperature phase MnBi compound: A potential candidate for rare-earth free permanent magnets

Energy Technology Data Exchange (ETDEWEB)

Ly, V.; Wu, X.; Smillie, L. [Department of Materials Engineering, Monash University, Clayton, VIC 3800 (Australia); Shoji, T.; Kato, A.; Manabe, A. [Toyota Motor Corporation, Mishuku, Susono, Shizuoka 410-1193 (Japan); Suzuki, K., E-mail: kiyonori.suzuki@monash.edu [Department of Materials Engineering, Monash University, Clayton, VIC 3800 (Australia)

2014-12-05

Highlights: • The spin reorientation temperature of MnBi is suppressed by nanoscale grain refinement. • Hardness parameter of MnBi reaches as large as 2.8 at 580 K. • MnBi has a great potential as a hard phase in rare-earth free nanocomposite magnets. • Improving the surface passivity is a remaining task for MnBi-based permanent magnets. - Abstract: The low-temperature phase (LTP) MnBi is one of the few rare-earth free compounds that exhibit a large magnetocrystalline anisotropy energy in the order of 10{sup 6} J/m{sup 3}. A large coercive field (μ{sub 0}H{sub cj}) above 1 T can be obtained readily by reducing the crystallite size (D) through mechanical grinding (MG). The room-temperature H{sub cj} values follow a phenomenological expression μ{sub 0}H{sub cj} = μ{sub 0}H{sub a}(δ/D){sup n} where the anisotropy field (μ{sub 0}H{sub a}) is ∼4 T, the Bloch wall width (δ) is 7 nm and the exponent (n) is about 0.7 in our study. The grain refinement upon MG is accompanied by suppression of the spin reorientation transition temperature (T{sub SR}) from 110 K to below 50 K. The coercive field starts to exhibit positive temperature dependence approximately 50 K above T{sub SR} and the room-temperature magnetic hardening induced by MG could partially be brought about by the lowered onset of this positive temperature dependence. The suppression of T{sub SR} by MG is likely to be induced by the surface anisotropy with which the 2nd order crystal field term is enhanced. One of the shortcomings of LTP-MnBi is its poor phase stability under the ambient atmosphere. The spontaneous magnetization decreases considerably after room-temperature aging for 1 week. This is due to oxidation of Mn which leads to decomposition of the MnBi phase. Hence, the surface passivity needs to be established before this material is considered for a permanent magnet in practical uses. Another shortcoming is the limited spontaneous magnetization. The theoretical upper limit of the maximum

Purification process for aqueous solutions of rare earths by liquid-liquid extraction

International Nuclear Information System (INIS)

Rollat, A.; Sabot, J.L.; Burgard, M.; Delloye, T.

1986-01-01

Alkaline earth metals are removed by liquid-liquid extraction between on aqueous nitric phase of impure rare earth compounds and an organic phase of polyether (crown ether). This process is particularly suited to removal of Ca, Ba and Ra contained in nitric solutions of rare earths [fr

A range of newly developed mobile generators to dynamically produce SI-traceable reference gas mixtures for reactive compounds at atmospheric concentrations

Science.gov (United States)

Leuenberger, Daiana; Pascale, Céline; Guillevic, Myriam; Ackermann, Andreas; Niederhauser, Bernhard

2017-04-01

Three new mobile facilities have been developed at METAS to dynamically generate SI-traceable reference gas mixtures for a variety of reactive compounds at atmospheric amount of substance fractions and at very low levels of uncertainty (Ux balance. The carrier gas is previously purified from the compounds of interest using commercially available purification cartridges. The permeation chambers of ReGaS2 and ReGaS3 have multiple individual cells allowing for the generation of mixtures containing up to 5 different components if required. ReGaS1 allows for the generation of one-component mixtures only. These primary mixtures are then diluted to the required amount of substance fractions using thermal mass flow controllers for full flexibility and adaptability of the generation process over the entire range of possible concentrations. In order to considerably reduce adsorption/desorption processes and thus stabilisation time, all electro-polished stainless steel parts of ReGaS1 and ReGaS2 in contact with the reference gas mixtures are passivated with SilcoNert2000® surface coating. These three state-of-the-art mobile reference gas generators are applicable under both, laboratory and field conditions. Moreover the dynamic generation method can be adapted and applied to a large variety of molecules (e.g. BTEX, CFCs, HCFCs, HFCs and other refrigerants) and is particularly suitable for reactive gas species and/or at concentration ranges which are unstable when stored in pressurised cylinders. Acknowledgement: This work was supported by the European Metrology Research Programme (EMRP). The EMRP is jointly funded by the EMRP participating countries within EURAMET and the European Union

Advances in chromatography of the rare earth elements (review)

International Nuclear Information System (INIS)

Oguma, Koichi; Kuroda, Rokuro; Shimizu, Tsuneo.

1995-01-01

A review is presented which covers liquid chromatography, gas chromatography, and related techniques. This article intends to describe the chromatographic methods playing an important role in the separation of the rare earth elements. Special attention is paid to the usefulness of various types of liquid chromatography which enable the complete mutual separation of the rare earth elements. Applications are also discussed. (author) 161 refs

Thermodynamics and kinetics of the formation of rare earth intermetallics

International Nuclear Information System (INIS)

Deodhar, S.S.

1975-01-01

Heats of reaction of rare earth intermetallics with iron, cobalt and nickel were determined using Differential Thermal Analysis technique. The intermetallic compounds studied were of MgCu 2 type Laves phases and the rare earth elements studied were praseodymium, gadolinium, dyprosium and erbium. The reactions were exothermic and the heats of reaction were generally high. They varied from the low of -2.5 kcal/g mole for Fe 2 Gd to the high of -35.3 kcal/g mole for Ni 2 Er. The magnitudes of heats of reaction were always greater for the intermetallics of heavy rare earth elements. The rare earth intermetallics studied were either ferromagnetic or antiferromagnetic. The variations in the magnetic moments and the heats of reaction with respect to the atomic number of the rare earth elements followed certain trends. The similarities were observed in the trends of two properties. Electronic configuration for the MgCu 2 type rare earth intermetallics is proposed using Engel--Brewer correlation for metallic structures and the structural features of the Laves phase compounds. Kinetics of the reactions between the rare earth elements and iron, cobalt, and nickel was studied. The rate of reaction was diffusion controlled in each case. The Valensi--Carter equation for the diffusion mechanism satisfactorily described the kinetic behavior. The magnitudes of activation energies and frequency factors were determined. The reactions can be characterized by their reaction temperatures since they always begin at definite temperatures. It was observed that the reaction began at a higher temperature if the activation energy for the reaction was high

An improved, automated whole air sampler and gas chromatography mass spectrometry analysis system for volatile organic compounds in the atmosphere

Science.gov (United States)

Lerner, Brian M.; Gilman, Jessica B.; Aikin, Kenneth C.; Atlas, Elliot L.; Goldan, Paul D.; Graus, Martin; Hendershot, Roger; Isaacman-VanWertz, Gabriel A.; Koss, Abigail; Kuster, William C.; Lueb, Richard A.; McLaughlin, Richard J.; Peischl, Jeff; Sueper, Donna; Ryerson, Thomas B.; Tokarek, Travis W.; Warneke, Carsten; Yuan, Bin; de Gouw, Joost A.

2017-01-01

Volatile organic compounds were quantified during two aircraft-based field campaigns using highly automated, whole air samplers with expedited post-flight analysis via a new custom-built, field-deployable gas chromatography-mass spectrometry instrument. During flight, air samples were pressurized with a stainless steel bellows compressor into electropolished stainless steel canisters. The air samples were analyzed using a novel gas chromatograph system designed specifically for field use which eliminates the need for liquid nitrogen. Instead, a Stirling cooler is used for cryogenic sample pre-concentration at temperatures as low as -165 °C. The analysis system was fully automated on a 20 min cycle to allow for unattended processing of an entire flight of 72 sample canisters within 30 h, thereby reducing typical sample residence times in the canisters to less than 3 days. The new analytical system is capable of quantifying a wide suite of C2 to C10 organic compounds at part-per-trillion sensitivity. This paper describes the sampling and analysis systems, along with the data analysis procedures which include a new peak-fitting software package for rapid chromatographic data reduction. Instrument sensitivities, uncertainties and system artifacts are presented for 35 trace gas species in canister samples. Comparisons of reported mixing ratios from each field campaign with measurements from other instruments are also presented.

Characterization of Volatile Compounds in Chilled Cod (Gadus morhua) fillets by gas chromatography and detection of quality indicators by an electronic nose

NARCIS (Netherlands)

Olafsdottir, G.; Jonsdottir, R.; Lauzon, H.L.; Luten, J.B.; Kristbergsson, K.

2005-01-01

Volatile compounds in cod fillets packed in Styrofoam boxes were analyzed during chilled storage (0.5 C) by gas chromatography (GC)-mass spectrometry and GC-olfactometry to screen potential quality indicators present in concentrations high enough for detection by an electronic nose. Photobacterium

Evaluation of a gas chromatograph with a novel surface acoustic wave detector (SAW GC) for screening of volatile organic compounds in Hanford waste tank samples

International Nuclear Information System (INIS)

Lockrem, L.L.

1998-01-01

A novel instrument, a gas chromatograph with a Surface Acoustic Wave Detector (SAW GC), was evaluated for the screening of organic compounds in Hanford tank headspace vapors. Calibration data were developed for the most common organic compounds, and the accuracy and precision were measured with a certified standard. The instrument was tested with headspace samples collected from seven Hanford waste tanks

Acid Gas Removal from Natural Gas with Alkanolamines

DEFF Research Database (Denmark)

Sadegh, Negar

commercially for the removal of acid gas impurities from natural gas. Alkanolamines, simple combinations of alcohols and ammonia, are the most commonly used category of chemical solvents for acid gas capture. This Ph.D. project is aboutthermodynamics of natural gas cleaning process with alkanolamines......Some 40 % of the world’s remaining gas reserves are sour or acid, containing large quantities of CO2 and H2S and other sulfur compounds. Many large oil and gas fields have more than 10 mole % CO2 and H2S content. In the gas processing industry absorption with chemical solvents has been used...... pressure on acid gas solubility was also quantitatively investigated through both experimental and modeling approaches....

Versatile 0.5 TW electron beam facility for power conditioning studies of large rare-gas/halide lasers

International Nuclear Information System (INIS)

Ramirez, J.J.

1980-01-01

Rare-gas/halide lasers which are being developed for Inertial Confinement Fusion will require large area, low impedance electron beam drivers. A wide range of electron beam parameters are being considered for future systems in an effort to optimize the overall system design. A number of power conditioning issues must be investigated in order to obtain a better understanding of the various trade-offs involved in making such optimizations. The RAYITO electron beam accelerator is being designed and built at Sandia National Laboratories and will be used for such investigations. It will be capable of operating in either a 2 or 4 ohm configuration at 1 MV, 50 ns or 0.8 MV, 200 ns. Design details for RAYITO are presented in this paper. Experiments planned for this facility are also discussed

Radioactive rare gas separation using a separation cell with two kinds of membrane differing in gas permeability tendency

International Nuclear Information System (INIS)

Ohno, Masayoshi; Ozaki, Osamu; Sato, Hajime; Kimura, Shoji; Miyauchi, Terukatsu.

1977-01-01

A separation cell embodying two kinds of membrane-porous and nonporous, i.e. differing in gas permeability - has a separation factor higher than possible with a conventional separation cell with a single kind of membrane. The performance of such separation cells and of cascades constituted thereof are analyzed theoretically and measured experimentally for different conditions of operation, to determine the applicability of the concept to the separation of rare gases from gaseous waste out of nuclear plants. Theoretical considerations indicate that, in a cascade composed of symmetric separation cells, the separation performance can be improved by recycling part of the effluent from a cell back through the same cell (recycling cascade). It is shown that its performance is better than with the arrangement of diverting another effluent several stages upstream. With the recycling cascade, the symmetric separation recycling rate is determined by the depletion separation and enrichment separation factors relevant to the respective membranes. The separation performance of a 9-stage recycling cascade composed of separation cells with silicone rubber tubular membranes and cellulose acetate tubular membranes is derived for a case of Kr separation from N 2 -Kr mixture. The experimental data coincide well with the analytical results. From both the experimental and the analytical results, it is found that the attainable separation coefficient per stage of the cascade comes to average approximately 0.97. (auth.)

Effect of N{sub 2} and Ar gas on DC arc plasma generation and film composition from Ti-Al compound cathodes

Energy Technology Data Exchange (ETDEWEB)

Zhirkov, Igor, E-mail: igozh@ifm.liu.se; Rosen, Johanna [Thin Film Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Oks, Efim [Institute of High Current Electronics SB RAS, 2/3 Akademichesky Avenue, 634055 Tomsk (Russian Federation)

2015-06-07

DC arc plasma from Ti, Al, and Ti{sub 1−x}Al{sub x} (x = 0.16, 0.25, 0.50, and 0.70) compound cathodes has been characterized with respect to plasma chemistry (charged particles) and charge-state-resolved ion energy for Ar and N{sub 2} pressures in the range 10{sup −6} to 3 × 10{sup −2} Torr. Scanning electron microscopy was used for exploring the correlation between the cathode and film composition, which in turn was correlated with the plasma properties. In an Ar atmosphere, the plasma ion composition showed a reduction of Al of approximately 5 at. % compared to the cathode composition, while deposited films were in accordance with the cathode stoichiometry. Introducing N{sub 2} above ∼5 × 10{sup −3} Torr, lead to a reduced Al content in the plasma as well as in the film, and hence a 1:1 correlation between the cathode and film composition cannot be expected in a reactive environment. This may be explained by an influence of the reactive gas on the arc mode and type of erosion of Ti and Al rich contaminations, as well as on the plasma transport. Throughout the investigated pressure range, a higher deposition rate was obtained from cathodes with higher Al content. The origin of generated gas ions was investigated through the velocity rule, stating that the most likely ion velocities of all cathode elements from a compound cathode are equal. The results suggest that the major part of the gas ions in Ar is generated from electron impact ionization, while gas ions in a N{sub 2} atmosphere primarily originate from a nitrogen contaminated layer on the cathode surface. The presented results provide a contribution to the understanding processes of plasma generation from compound cathodes. It also allows for a more reasonable approach to the selection of composite cathode and experimental conditions for thin film depositions.

Determination of the solubility of low volatility liquid organic compounds in water using volatile-tracer assisted headspace gas chromatography.

Science.gov (United States)

Zhang, Shu-Xin; Chai, Xin-Sheng; Barnes, Donald G

2016-02-26

This study reports a new headspace gas chromatographic method (HS-GC) for the determination of water solubility of low volatility liquid organic compounds (LVLOs). The HS-GC analysis was performed on a set of aqueous solutions containing a range of concentrations of toluene-spiked (as a tracer) LVLOs, from under-saturation to over-saturation. A plot of the toluene tracer GC signal vs. the concentration of the LVLO results in two lines of different slopes that intersect at the concentration corresponding to the compound's solubility in water. The results showed that the HS-GC method has good precision (RSD waters of environmental and biological systems. Copyright © 2016 Elsevier B.V. All rights reserved.

Coordination compounds of rare-earth metals with organic ligands for electroluminescent diodes

International Nuclear Information System (INIS)

Katkova, M A; Bochkarev, Mikhail N; Vitukhnovsky, Alexey G

2005-01-01

Data on lanthanide coordination compounds with organic ligands used in the design of electroluminescent diodes are summarised and systematically represented. The molecular and electronic structures and spectroscopic characteristics of these compounds are considered. A comparative analysis of the properties of organic electroluminescent diodes with different compositions of emitting and conductive layers is presented.

Chalcogenides formed by trivalent rare earth elements with d-elements

International Nuclear Information System (INIS)

Flao, Zh.; Laruehl', P.; Olitro, R.

1981-01-01

Data on ternary compounds formed by trivalent rare earth elements with 3d-, 4d- and 5d-elements of the Periodic system is presented. Compounds of 3d-elements both in bivalent and trivalent states are considered. The main attention is paid to the structure of the compounds. Description of a great number of new structural types of compounds is given. In certain cases the structure has not been deciphered and, besides, structural investigations with monocrystals are not numerous. Attention is drawn to the existence of nonstoichiometric compounds. References to the works on investigation of thermal (melting temperature), magnetic, optical and electric properties as well as Moessbauer effect are presented

Next Generation Offline Approaches to Trace Gas-Phase Organic Compound Speciation: Sample Collection and Analysis

Science.gov (United States)

Sheu, R.; Marcotte, A.; Khare, P.; Ditto, J.; Charan, S.; Gentner, D. R.

2017-12-01

Intermediate-volatility and semi-volatile organic compounds (I/SVOCs) are major precursors to secondary organic aerosol, and contribute to tropospheric ozone formation. Their wide volatility range, chemical complexity, behavior in analytical systems, and trace concentrations present numerous hurdles to characterization. We present an integrated sampling-to-analysis system for the collection and offline analysis of trace gas-phase organic compounds with the goal of preserving and recovering analytes throughout sample collection, transport, storage, and thermal desorption for accurate analysis. Custom multi-bed adsorbent tubes are used to collect samples for offline analysis by advanced analytical detectors. The analytical instrumentation comprises an automated thermal desorption system that introduces analytes from the adsorbent tubes into a gas chromatograph, which is coupled with an electron ionization mass spectrometer (GC-EIMS) and other detectors. In order to optimize the collection and recovery for a wide range of analyte volatility and functionalization, we evaluated a variety of commercially-available materials, including Res-Sil beads, quartz wool, glass beads, Tenax TA, and silica gel. Key properties for optimization include inertness, versatile chemical capture, minimal affinity for water, and minimal artifacts or degradation byproducts; these properties were assessed with a diverse mix of traditionally-measured and functionalized analytes. Along with a focus on material selection, we provide recommendations spanning the entire sampling-and-analysis process to improve the accuracy of future comprehensive I/SVOC measurements, including oxygenated and other functionalized I/SVOCs. We demonstrate the performance of our system by providing results on speciated VOCs-SVOCs from indoor, outdoor, and chamber studies that establish the utility of our protocols and pave the way for precise laboratory characterization via a mix of detection methods.

Determination of Wastewater Compounds in Sediment and Soil by Pressurized Solvent Extraction, Solid-Phase Extraction, and Capillary-Column Gas Chromatography/Mass Spectrometry

Science.gov (United States)

Burkhardt, Mark R.; Zaugg, Steven D.; Smith, Steven G.; ReVello, Rhiannon C.

2006-01-01

A method for the determination of 61 compounds in environmental sediment and soil samples is described. The method was developed in response to increasing concern over the effects of endocrine-disrupting chemicals in wastewater and wastewater-impacted sediment on aquatic organisms. This method also may be used to evaluate the effects of combined sanitary and storm-sewer overflow on the water and sediment quality of urban streams. Method development focused on the determination of compounds that were chosen on the basis of their endocrine-disrupting potential or toxicity. These compounds include the alkylphenol ethoxylate nonionic surfactants and their degradates, food additives, fragrances, antioxidants, flame retardants, plasticizers, industrial solvents, disinfectants, fecal sterols, polycyclic aromatic hydrocarbons, and high-use domestic pesticides. Sediment and soil samples are extracted using a pressurized solvent extraction system. The compounds of interest are extracted from interfering matrix components by high-pressure water/isopropyl alcohol extraction. The compounds were isolated using disposable solid-phase extraction (SPE) cartridges containing chemically modified polystyrene-divinylbenzene resin. The cartridges were dried with nitrogen gas, and then sorbed compounds were eluted with methylene chloride (80 percent)-diethyl ether (20 percent) through Florisil/sodium sulfate SPE cartridge, and then determined by capillary-column gas chromatography/mass spectrometry. Recoveries in reagent-sand samples fortified at 4 to 72 micrograms averaged 76 percent ?13 percent relative standard deviation for all method compounds. Initial method reporting levels for single-component compounds ranged from 50 to 500 micrograms per kilogram. The concentrations of 20 out of 61 compounds initially will be reported as estimated with the 'E' remark code for one of three reasons: (1) unacceptably low-biased recovery (less than 60 percent) or highly variable method performance

X-ray powder diffraction data on miscellaneous lanthanide compounds

International Nuclear Information System (INIS)

Ferguson, I.F.; Hughes, T.E.

1978-08-01

Recent work on neutron absorbing materials has produced various new X-ray diffraction powder patterns of compounds of the lanthanides. Various inconsistencies in previously published data have been noted, and accurate measurements have been made of the lattice parameters of the rare earth oxides Sm 2 0 3 , Eu 2 0 3 , Gd 2 0 3 which have the monoclinic rare earth type B- structure, as well as Eu0. These data are recorded for reference. The optimum conditions for obtaining X-ray powder diffraction data from europium compounds are also noted. (author)

Radioactive gas processing device

International Nuclear Information System (INIS)

Kita, Kaoru; Minemoto, Masaki; Takezawa, Kazuaki; Okazaki, Akira; Kumagaya, Koji.

1982-01-01

Purpose: To simplify the structure of a gas processing system which has hitherto been much complicated by the recyclic use of molecular sieve regeneration gas, by enabling to release the regeneration gas to outside in a once-through manner. Constitution: The system comprises a cooler for receiving and cooling gases to be processed containing radioactive rare gases, moisture-removing pipelines each connected in parallel to the exit of the cooler and having switching valves and a moisture removing column disposed between the valves and a charcoal absorber in communication with the moisture removing pipelines. Pipelines for flowing regeneration heating gases are separately connected to the moisture removing columns, and molecular sieve is charged in the moisture removing column by the amount depending on the types of the radioactive rare gases. (Aizawa, K.)

Determination of organotin compounds by headspace solid-phase microextraction-gas chromatography-pulsed flame-photometric detection (HS-SPME-GC-PFPD)

Energy Technology Data Exchange (ETDEWEB)

Bravo, Manuel [Universite de Pau et des Pays de L' Adour, Laboratoire de Chimie Analytique, LCABIE, UMR CNRS 5034, Pau (France); Pontificia Universidad Catolica de Valparaiso, Laboratorio de Quimica Analitica y Ambiental, Instituto de Quimica, Valparaiso (Chile); Lespes, Gaetane; Gautier, Martine Potin [Pontificia Universidad Catolica de Valparaiso, Laboratorio de Quimica Analitica y Ambiental, Instituto de Quimica, Valparaiso (Chile); Gregori, Ida de; Pinochet, Hugo [Universite de Pau et des Pays de L' Adour, Laboratoire de Chimie Analytique, LCABIE, UMR CNRS 5034, Pau (France)

2005-12-01

A method based on Headspace solid-phase microextraction (HS-SPME, with a 100 {mu}m PDMS-fiber) in combination with gas-chromatography and pulsed flame-photometric detection (GC-PFPD) has been investigated for simultaneous determination of eight organotin compounds. Monobutyltin (MBT), dibutyltin (DBT), tributyltin (TBT), monophenyltin (MPhT), and the semi-volatile diphenyltin (DPhT), triphenyltin (TPhT), monooctyltin (MOcT), and dioctyltin (DOcT) were determined after derivatization with sodium tetraethylborate. The conditions used for the extraction and preconcentration step were optimised by experimental design methodology. Tripropyltin (TPrT) and diheptyltin (DHepT) were used as internal standards for quantification of volatile and semi-volatile organotin compounds, respectively. The analytical precision (RSD) for ten successive injections of a standard mixture containing all the organic tin compounds ranged between 2 and 11%. The limits of detection for all the organotin compounds were sub ng (Sn) L{sup -1} in water and close to ng (Sn) kg{sup -1} in sediments. The accuracy of the method was evaluated by analysis of two certified reference material (CRM) sediment samples. The HS-SPME-GC-PFPD was then applied to the analysis of three harbour sediment samples. The results showed that headspace SPME is an attractive tool for analysis of organotin compounds in solid environmental matrices. (orig.)

Synthesis and physicochemical investigation of 3-nitro-5-aminobenzoates of rare earths

International Nuclear Information System (INIS)

Makushova, G.N.; Zakharova, T.V.; Shilova, L.I.

1994-01-01

The compounds of cerium subgroup rare earth with 3-nitro-5-aminobenzoic acid of composition Ln(C 7 H 5 N 2 O 4 ) 3 ·nH 2 O, where Ln-La, Ce, Pr, Nd, Sm, Eu; n=4-14 not yet described in literature were obtained. Rare earth 3-nitro-5-aminobenzoates were individual crystal substances, as shown by X-ray diffraction; their interplanar distances were calculated. Thermal stability of the derived compounds was studied by means of thermography and thermal gravimetry. The interval of dehydration and start of decomposition of anhydrous salts was determined

Antituberculotic activity of actinobacteria isolated from the rare habitats.

Science.gov (United States)

Hussain, A; Rather, M A; Shah, A M; Bhat, Z S; Shah, A; Ahmad, Z; Parvaiz Hassan, Q

2017-09-01

A distinctive screening procedure resulted in the isolation and identification of antituberculotic actinobacteria. In this course, a total of 125 actinobacteria were isolated from various soil samples from untapped areas in Northwestern Himalayas, India. The antibacterial screening showed that 26 isolates inhibited the growth of at least one of the tested bacterial pathogens including Staphylococcus aureus (ATCC 25923), Staphylococcus epidermidis (ATCC 12228), Bacillus subtilis (ATCC 11774), Micrococcus luteus (ATCC 10240), Escherichia coli (10536), Pseudomonas aeruginosa (ATCC 10145) and Klebsiella pneumonia (ATCC BAA-2146). The production media was optimized for the active strains by estimation of their extract value by the quantification of the ethyl acetate extract. The screening of fermentation products from the selected 26 bioactive isolates revealed that 10 strains have metabolites antagonistic against the standard H37Rv strain of Mycobacterium tuberculosis. The characterization by 16S rRNA gene sequencing and phylogenetic analysis demonstrated the diverse nature of these antituberculosis strains. The secondary metabolites of potent, rare strain, Lentzea violacea AS08 exhibited promising antituberculosis activity with minimal inhibitory concentration (MIC) of 3·9 μg ml -1 . The metabolites identified by gas chromatography-mass spectrometry (GC-MS) included, Phenol, 2,5-bis (1, 1-dimethylethyl), n-Hexadecanoic acid, Hexadecanoic acid methyl-ester, Hexadecanoic acid ethyl-ester and, 9,12-Octadecadienoyl chloride(Z,Z) are biologically significant molecules. The study presents the isolation of rare actinobacteria from untapped sites in the Northwestern Himalayas and their in vitro potential against Mycobacterium tuberculosis for their metabolites. The study revealed that exploring the untapped natural sources as one of the resourceful approaches for the discovery of new natural products. This study also provided strong evidence for the ability of rare and

Volatile organic compound emissions from the oil and natural gas industry in the Uinta Basin, Utah: point sources compared to ambient air composition

OpenAIRE

C. Warneke; F. Geiger; P. M. Edwards; W. Dube; G. Pétron; J. Kofler; A. Zahn; S. S. Brown; M. Graus; J. Gilman; B. Lerner; J. Peischl; T. B. Ryerson; J. A. de Gouw; J. M. Roberts

2014-01-01

The emissions of volatile organic compounds (VOCs) associated with oil and natural gas production in the Uinta Basin, Utah were measured at a ground site in Horse Pool and from a NOAA mobile laboratory with PTR-MS instruments. The VOC compositions in the vicinity of individual gas and oil wells and other point sources such as evaporation ponds, compressor stations and injection wells are compared to the measurements at Horse Pool. High mixing ratios of aroma...

Thin films of mixed metal compounds

Science.gov (United States)

Mickelsen, Reid A.; Chen, Wen S.

1985-01-01

A compositionally uniform thin film of a mixed metal compound is formed by simultaneously evaporating a first metal compound and a second metal compound from independent sources. The mean free path between the vapor particles is reduced by a gas and the mixed vapors are deposited uniformly. The invention finds particular utility in forming thin film heterojunction solar cells.

Global recovery process of thorium and rare earths in a nitrate medium

International Nuclear Information System (INIS)

Cailly, F.; Mottot, Y.

1993-01-01

The aqueous solution of thorium and rare earth nitrates, obtained by leaching the ore with nitric acid, is extracted by an organic phosphorous compound (phosphate, phosphonate, phosphinate or phosphine oxide) and a cationic extractant chosen among phosphoric acid di-esters. Extraction of thorium and rare earths is possible even in presence of phosphate ions in the aqueous solution. Thorium and rare earths are separated by liquid-liquid extraction of the organic phase

Separation of rare earth mixtures by gas chromatography using dipivaloylmethane as complexing agent

International Nuclear Information System (INIS)

Golubtsova, V.Yu.; Luchinkin, V.V.; Martynenko, L.I.; Murav'eva, I.A.; Sokolov, D.N.

1981-01-01

Possibility of using dipivaloylmethave for quantitative separation of rare earth element mixtures under the regime of chromatography for preparative and analytical purposes, is studied. Introduction of β-diketone surplus into the chromatographic solution is shown to remove the necessity of column conditioning. It is stated that chelate solution should have concentration above the threshold one. The developed method is applicable for quantitative separation of some rare earth mixtures for preparative purposes, as well as for the analysis of rare earth mixtures, containing components in equivalent quantities [ru

Nuclear orientation on rare earth nickel alloys

International Nuclear Information System (INIS)

Nishimura, K.

1998-01-01

A hyperfine interaction study of the light rare earth elements, Ce, Pr, Nd and Pm, in the rare earth nickel and CeNi 2 Al 5 compounds by means of the low temperature nuclear orientation is summarised. The magnitudes and directions of the magnetic hyperfine fields obtained through measurements of γ-ray anisotropy and angular distributions reveal the magnetic structures of the ions. The experiments extracted peculiar results for the magnetic properties of the ions, and show certain novel features of the technique to the study of solid-state magnetism. Copyright (1998) Australian Journal of Physics

Features of rare earth element (3) complexing

International Nuclear Information System (INIS)

Martynenko, L.I.

1991-01-01

Reasons for nonobeyance to the regularity of tetrad ''W'' effect of rare earth chelate complex compounds are discussed in the review. The concept of metal-ligand ionic bond in rare earth complexes is put in the basis of the consideration. From this viewpoint mutual influence of ligands in lower, higher, polynuclear and different-ligand complexes, formed by the ligands of low, medium and high denticity, is discussed. Problems of intermolecular interaction of complexes with different structure are considered in relation to problems of variation of chelate volatility and selectivity in the processes of sublimation and precipitation

A new series of rhenium VII compounds: sodium-rare earth perrhenates

International Nuclear Information System (INIS)

Slimane, Z.A.A.; Silvestre, J.-P.; Freundlich, William

1978-01-01

Synthesis by solid state reaction or in aqueous solution and radiocrystallographical study of the hexagonal sodium-rare earth perrhenates NaLn(ReO 4 ) 4 (Ln=La, Nd, Sm, Eu, Gd, Er) and of the tetragonal tetrahydrates NaLn(ReO 4 ) 4 , 4H 2 O (Ln=Eu, Gd, Er, Lu) [fr

The effects of rare earths on activity and surface properties of Ru/γ-Al2O3 catalyst for water gas shift reaction

Directory of Open Access Journals (Sweden)

Laitao Luo

2007-04-01

Full Text Available A series of Ru-RE/γ- Al2O3 (RE = Ce, Pr, La, Sm, Tb or Gd and Ru/γ- Al2O3 catalysts were prepared by impregnation method. The influence of rare earths on the catalytic performance of Ru/γ- Al2O3 catalyst for the water gas shift reaction was studied. The catalysts were characterized by X-ray diffraction (XRD, temperature programmed reduction (TPR, temperature programmed desorption (TPD, and CO chemisorption. The results show that the addition of rare earths increases the catalytic activity of Ru based catalyst. Among these cerium is the most remarkably. The addition of cerium increases the active surface area, improves the dispersion of ruthenium, and weakens the interaction between ruthenium and the support. Cerium also affects the adsorption and reduction properties of Ru/γ-Al2O3 catalyst.

Neurotoxicity of fragrance compounds: A review.

Science.gov (United States)

Pinkas, Adi; Gonçalves, Cinara Ludvig; Aschner, Michael

2017-10-01

Fragrance compounds are chemicals belonging to one of several families, which are used frequently and globally in cosmetics, household products, foods and beverages. A complete list of such compounds is rarely found on the ingredients-list of such products, as "fragrance mixtures" are defined as "trade secrets" and thus protected by law. While some information regarding the general toxicity of some of these compounds is available, their neurotoxicity is known to a lesser extent. Here, we discuss the prevalence and neurotoxicity of fragrance compounds belonging to the three most common groups: phthalates, synthetic musks and chemical sensitizers. Copyright © 2017 Elsevier Inc. All rights reserved.

Determination of total gas in lithium tritide-deuteride compounds

International Nuclear Information System (INIS)

Smith, M.E.; Koski, N.L.; Waterbury, G.R.

1979-04-01

Lithium tritide--deuteride samples are enclosed in a copper foil and decomposed by heating to 850 0 C in a copper reaction tube in vacuum. The temperature and pressure of the evolved gas, collected in a measured volume using a Toepler pump, are measured to determine the total moles of gas released from the sample. The gas is transferred to a removable sample bulb and, if required, analyzed for gaseous constituents by mass spectrometry. Based on 14 total gas determinations for a lithium deuteride sample, the calculated relative standard deviation was 1.0% and the estimated bias was <2.5%

Novel laser nanomaterials based on rare-earth compounds

Energy Technology Data Exchange (ETDEWEB)

Patel, Darayas N., E-mail: dpatel@oakwood.edu [Oakwood University, Department of Mathematics and Computer Science, 7000 Adventist Blvd. Huntsville, AL 35896 (United States); Hardy, Lauren A.; Smith, Tabatha J.; Smith, Eva S.; Wright, Donald M. [Oakwood University, Department of Mathematics and Computer Science, 7000 Adventist Blvd. Huntsville, AL 35896 (United States); Sarkisov, Sergey [SSS Optical Technologies, LLC, 515 Sparkman Drive, Suite 122, Huntsville, AL 35816 (United States)

2013-01-15

We report on the infrared-to-visible upconversion luminescence in microcrystalline powders and photonic crystal fibers filled with nanocolloids of trivalent rare-earth ion co-doped NaYF{sub 4} phosphor. The phosphor was prepared using a simple co-precipitation synthetic method. Nanocolloids of the phosphor were prepared by selective precipitation in methanol and laser ablation in water. Optical dynamic scatterometry determined average particle sizes of the nanocolloids of 1.5-1.9 nm in methanol and 83.8-86.4 nm in water. Nanocolloids of these phosphors were utilized as laser filling medium in photonic crystal fibers. - Highlights: Black-Right-Pointing-Pointer Synthesize highly efficient hexagonal-phase NaYF{sub 4}:Er{sup 3+}, Yb{sup 3+} powder and nanocolloid. Black-Right-Pointing-Pointer Laser/amplifier containing the NaYF{sub 4} nanocolloid were pumped with 980 nm diode laser. Black-Right-Pointing-Pointer Emission peaks were observed at 540 nm, 654 nm and 840.4 nm from the fiber arrangement.

Compound presentation in labour: highlighting the importance of ...

African Journals Online (AJOL)

Objective: To describe the occurrence of compound presentation in labour, as an obstetric emergency. Background: Compound presentation is a rare obstetric event, defined as the presentation of the hand or foot alongside the head or breech. It places both mother and baby at severe risk. The presence of skilled attendants ...

Strong luminescence of rare earth compounds in ionic liquids: Luminescent properties of lanthanide(III) iodides in the ionic liquid 1-dodecyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide

International Nuclear Information System (INIS)

Mudring, Anja-Verena; Babai, Arash; Arenz, Sven; Giernoth, Ralf; Binnemans, K.; Driesen, Kris; Nockemann, Peter

2006-01-01

Purposely designed ionic liquids can be excellent solvents for spectroscopic studies of rare earth compounds. Absorption, excitation and emission spectra of LnI 3 (Ln = Nd, Dy and Tb) in the ionic liquid 1-dodecyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide are presented. Electronic transitions were assigned from the energy level diagrams for Ln(III). Emission lifetimes for DyI 3 in [C 12 mim][Tf 2 N] are discussed. Traces of water dramatically reduce the otherwise long lifetimes and comparatively high quantum yields

Elastic, thermal and high pressure structural properties of heavy rare earth antimonides

International Nuclear Information System (INIS)

Soni, P.; Pagare, G.; Sanyal, S.P.

2009-01-01

Pressure induced structural phase transition of two heavy rare earth antimonides (RESb; RE=Ho, Er) have been studied theoretically by using an inter-ionic potential theory. This method has been found quite satisfactory in the case of pnictides of rare earth and describes the crystal properties in the framework of rigid-ion modal. The long-range Coulomb interaction, short-range repulsive interaction and van der Waals (vdW) interactions are properly incorporated in this theory. These compounds exhibit first order crystallographic phase transition from their NaCl-type structure to CsCl-type structure at 27 GPa and 33.2 GPa, respectively. The bulk moduli of RESb compounds are compared with the experimental values of elastic constants. We have also calculated the Debye temperature by incorporating the elastic constants for both the rare earth antimonides. (author)

Raw materials for advanced ceramics: rare earths separation processes

International Nuclear Information System (INIS)

Ricci, D.R.; Nobre, J.S.M.; Paschoal, J.O.A.

1990-01-01

The importance of obtaining purified rare earths oxidesis related, mainly to the increasing use of these compounds as raw materials for advanced ceramics. Processes of rare earths separation and purification are almost always based on the solvent extraction, fractional precipitation and ion exchange chromatography techniques, whose association depends on the initial concentrate and on the desired purity. This paper describes some steps of fractionation of didymium carbonate by using the solvent extraction and fractional precipitation techniques. The experimental conditions presented here have enable the production of lantanium, neodimium - praseodimium, samarium - gadolinium and ytrium concentrates, which constitute the intermediate fractions of the overall process to obtain high purity rare earths. (author) [pt

Carbonyl compounds in gas and particle phases of mainstream cigarette smoke

International Nuclear Information System (INIS)

Pang, Xiaobing; Lewis, Alastair C.

2011-01-01

Carbonyl compounds (carbonyls) are important constituents of cigarette smoke and some are toxic and may be carcinogenic or mutagenic to humans. In this study carbonyl emissions in the gas and particle phases of mainstream cigarette smoke were assessed by GC-MS with pentafluorophenyl hydrazine (PFPH) derivatization. Seven brands of cigarettes and one brand of cigar common in the UK market and having differing nicotine, tar and carbon monoxide yields were investigated. Sixteen carbonyl components were identified in gaseous emissions and twenty in the particle phase. In the gaseous emissions, acetaldehyde presented as the predominant species, followed by formaldehyde, 2-propenal, and pentanal. In the particulate emissions, 1-hydroxy-2-propanone was the most abundant followed by formaldehyde, benzaldehyde, and 2,5-dimethylbenzaldehyde. Significant differences were found in carbonyl emissions among the brands of cigarettes. The gaseous carbonyl emissions varied in the range of 216-405 μg cigarette -1 (μg cig -1 ) and the particulate carbonyl emissions varied in the range of 23-127 μg cig -1 . Positive correlations were found between the total emission of carbonyls, tar yield and carbon monoxide yield. Similar gas/particle (G/P) partitioning ratios of carbonyls were found among all cigarettes, which implies that G/P partitions of carbonyls in smoke mainly depend on the physical properties of the carbonyls. The gaseous carbonyl emissions were enhanced by 40% to 130% when some of the water, accounting for 8-12% of cigarettes in mass, was removed from the tobacco. Non-filtered cigarettes showed significantly higher carbonyl emissions compared to their filtered equivalents. Carbonyl particulate accounted for 11-19% by mass of total particulate matter from tobacco smoke. The cigar generated 806 μg cig -1 gaseous and 141 μg cig -1 particulate carbonyls, which is 2-4 times greater than the cigarettes. - Highlights: → Carbonyl emission factors in both gas (16 species) and

Carbonyl compounds in gas and particle phases of mainstream cigarette smoke

Energy Technology Data Exchange (ETDEWEB)

Pang, Xiaobing, E-mail: pangxbyuanj@gmail.com [Department of Chemistry, University of York, Heslington, York, YO10 5DD (United Kingdom); Lewis, Alastair C., E-mail: ally.lewis@york.ac.uk [National Centre for Atmospheric Science, University of York, Heslington, York, YO10 5DD (United Kingdom)

2011-11-01

Carbonyl compounds (carbonyls) are important constituents of cigarette smoke and some are toxic and may be carcinogenic or mutagenic to humans. In this study carbonyl emissions in the gas and particle phases of mainstream cigarette smoke were assessed by GC-MS with pentafluorophenyl hydrazine (PFPH) derivatization. Seven brands of cigarettes and one brand of cigar common in the UK market and having differing nicotine, tar and carbon monoxide yields were investigated. Sixteen carbonyl components were identified in gaseous emissions and twenty in the particle phase. In the gaseous emissions, acetaldehyde presented as the predominant species, followed by formaldehyde, 2-propenal, and pentanal. In the particulate emissions, 1-hydroxy-2-propanone was the most abundant followed by formaldehyde, benzaldehyde, and 2,5-dimethylbenzaldehyde. Significant differences were found in carbonyl emissions among the brands of cigarettes. The gaseous carbonyl emissions varied in the range of 216-405 {mu}g cigarette{sup -1} ({mu}g cig{sup -1}) and the particulate carbonyl emissions varied in the range of 23-127 {mu}g cig{sup -1}. Positive correlations were found between the total emission of carbonyls, tar yield and carbon monoxide yield. Similar gas/particle (G/P) partitioning ratios of carbonyls were found among all cigarettes, which implies that G/P partitions of carbonyls in smoke mainly depend on the physical properties of the carbonyls. The gaseous carbonyl emissions were enhanced by 40% to 130% when some of the water, accounting for 8-12% of cigarettes in mass, was removed from the tobacco. Non-filtered cigarettes showed significantly higher carbonyl emissions compared to their filtered equivalents. Carbonyl particulate accounted for 11-19% by mass of total particulate matter from tobacco smoke. The cigar generated 806 {mu}g cig{sup -1} gaseous and 141 {mu}g cig{sup -1} particulate carbonyls, which is 2-4 times greater than the cigarettes. - Highlights: {yields} Carbonyl

An ab initio study on four low-lying electronic potential energy curves for atomic cesium and rare gas pairs

International Nuclear Information System (INIS)

Kobayashi, Takanori; Yuki, Kenta; Matsuoka, Leo

2016-01-01

Using multireference configuration interaction (MRCI) calculations with single and double excitation levels, Davidson correction, and a spin-orbit (SO) effective core potential, we have developed a series of four low-lying electronic potential energy curves (PECs) for the pairs formed between a cesium atom (Cs) and a rare gas (Rg = He, Ne, Ar, Kr, and Xe). The results obtained at the MRCI level were compared with those generated at the SOCI level, which were recently reported by Blank et al. The shapes of the PECs were essentially the same when the same basis set was used. Based on this agreement, more precise PECs for Cs-Rg pairs were calculated using a larger basis set for Rg. (author)

Plant for removing radioactive rare gases

International Nuclear Information System (INIS)

An, Buzai; Kanazawa, Toshio

1977-01-01

The outline of the pilot plant to remove and recover radioactive rare gases generated from nuclear power plants, reprocessing installations for nuclear fuel, nuclear research installations, etc. is described below. Among the studies of various processes such as liquefaction and distillation, absorption into solvents, active carbon adsorption, diaphragm method, etc., the liquefaction and distillation process by rectification at low temperature has been positively developed. It is in the stage of practical application for removing rare gases in waste gases from reprocessing and nuclear power plants. This is the process with high safety and excellent rare gas removing capability. Further research and development have been also made for selective adsorption and desorption method at low temperature which is very efficient as there is no release of long life nuclides such as Krypton-85. Rare gases recovered by the above mentioned removal systems must be stored safely for a long time as their half lives are long and specific radioactivities are high. The study has been made continuously on the storage methods including adsorption in cylinders and remotely automatically sealing storing system. (Kobatake, H.)

Contribution for the studies of rare earth dithionates

International Nuclear Information System (INIS)

Schmitz, L.C.

1988-01-01

The main objective of this work is the synthesis and investigation of some properties of rare earth dithionates. The rare earth dithionates were prepared from the respective sulphates, by the reaction of the latter with BaS sub(2) O sub(6) in aqueous solutions. The lanthanide ion content was estimated by complexometric titration with EDTA; analysis for H were carried out by microanalysis and the water content was determinated by Karl Fischer titration. This experimental results in addition to thermogravimetric (TG) data gave the stoichiometry of the compounds. (author)

The Determination of Pesticidal and Non-Pesticidal Organotin Compounds in Water Matrices by in situ Ethylation and Gas Chromatography with Pulsed Flame Photometric Detection

Science.gov (United States)

The concurrent determination of pesticidal and non-pesticidal organotin compounds in several water matrices, using a simultaneous in situ ethylation and liquid-liquid extraction followed by splitless injection mode capillary gas chromatography with pulsed flame photometric detect...

Cryogenic treatment of gas

Science.gov (United States)

Bravo, Jose Luis [Houston, TX; Harvey, III, Albert Destrehan; Vinegar, Harold J [Bellaire, TX

2012-04-03

Systems and methods of treating a gas stream are described. A method of treating a gas stream includes cryogenically separating a first gas stream to form a second gas stream and a third stream. The third stream is cryogenically contacted with a carbon dioxide stream to form a fourth and fifth stream. A majority of the second gas stream includes methane and/or molecular hydrogen. A majority of the third stream includes one or more carbon oxides, hydrocarbons having a carbon number of at least 2, one or more sulfur compounds, or mixtures thereof. A majority of the fourth stream includes one or more of the carbon oxides and hydrocarbons having a carbon number of at least 2. A majority of the fifth stream includes hydrocarbons having a carbon number of at least 3 and one or more of the sulfur compounds.

Inorganic, coordination and organometallic compounds

International Nuclear Information System (INIS)

Jursik, F.

1978-01-01

Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

Compound-specific isotope analysis of light elements using gas chromatography/combustion/isotope ratio mass spectrometry (GC/C/IRMS) and its application to geochemistry

International Nuclear Information System (INIS)

Naraoka, Hiroshi; Yamada, Keita; Matsumoto, Kohei; Ishiwatari, Ryoshi

1997-01-01

Compound-specific isotope analysis has been developed recently using gas chromatography/combustion/mass spectrometry (GC/C/IRMS). This paper summarizes principles and progress of GC/C/IRMS, and reviews recent some important works using this new method. GC/C/IRMS is a novel tool for (1) biomarker analysis in sediments and living matter, (2) paleoenvironment analysis including reconstruction of ancient biogeochemical processes, (3) geochemical cycle study of organic compounds in a terrestrial-marine system, (4) evaluation of maturity and diagenesis of organic matter including petroleum formation, (5) ecological analysis, (6) evaluation of anthropologenic pollution in environment, (7) detection of extraterrestrial organic compounds and the formation mechanism study, (8) tracer studies in environment. (author)

Radioactive rare gases emission at underground nuclear explosions

International Nuclear Information System (INIS)

Dubasov, Yu.V.

2016-01-01

The examples of radioactive rare gases emission at underground nuclear explosions conducted in the USSR on the Novaya Zemlya and Semipalatinsk test sites are considered. It is pointed out that in the case of evasive explosion in vertical wells without apparent radioactive gases emission the samples of subsurface gas must contain the traces of radioactive rare gases. Under the inspection of evasive explosion in horizontal workings of rock massif, one should guided by the analysis of atmospheric air samples in the inspected area [ru

Synthesis, characterization and thermal decomposition of tetramethylammonium rare earth double selenates

Science.gov (United States)

Divekar, Sandesh K.; Achary, S. Nagabhusan; Ajgaonkar, Vishnu R.

2018-06-01

A series of double selenates, as (CH3)4NLn(SeO4)2rad 4H2O (Ln = Rare earth ion like La, Pr, Nd, Sm, Gd, Tb, Dy) was crystallized from mixed solution and characterized in detail for their structure, vibrational and optical properties as well as thermal stabilities. The crystal structure of the praseodymium compound was obtained by single crystal X-ray diffraction (XRD) and revealed a monoclinic (C2/c) lattice with chains formed by PrO8 and SeO4 units. The chains with compositions [Pr(SeO4)4(H2O)4]- are stacked in three dimensions and the (CH3)4N+ ions located in between them provide charge neutrality to the structure. The characterization of other compounds were carried out from powder XRD data and revealed that they all are isostructural to Pr-compound. All the functional groups were identified by Raman and IR spectroscopic studies. Solid state 77Se NMR revealed noticeable changes in selenium environment in these compounds. The optical absorption studies on the compounds show strong band edge absorptions in UV region. Thermal stabilities of the compounds, as investigated by simultaneous TG-DTA techniques indicate their sequential decompositions due to loss of H2O, (CH3)4N+ group, SeO2 and finally leaving their corresponding rare earth oxides.

Electronic structure and properties of rare earth and actinide intermetallics

International Nuclear Information System (INIS)

Kirchmayr, H.R.

1984-01-01

There are 188 contributions, experimental and theoretical, a few on rare earth and actinide elements but mostly on rare earth and actinide intermetallic compounds and alloys. The properties dealt with include 1) crystal structure, 2) magnetic properties and magnetic structure, 3) magnetic phase transformations and valence fluctuations, 4) electrical properties and superconductivity and their temperature, pressure and magnetic field dependence. A few papers deal with crystal growth and novel measuring methods. (G.Q.)

Theoretical and experimental study of high-magnetic-field XMCD spectra at the L2,3 absorption edges of mixed-valence rare-earth compounds

International Nuclear Information System (INIS)

Kotani, Akio; Matsuda, Yasuhiro H; Nojiri, Hiroyuki

2009-01-01

X-ray magnetic circular dichroism(XMCD) spectra at the L 2,3 edges of mixed-valence rare-earth compounds in high magnetic fields are studied both theoretically and experimentally. The theoretical study is based on a new framework proposed recently by Kotani. The Zeeman splitting of 4f states, the mixed-valence character of 4f states, and the 4f-5d exchange interaction are incorporated into a single impurity Anderson model. New XMCD experiments in high magnetic fields up to 40 T are carried out for the mixed-valence compounds EuNi 2 (Si 0.18 Ge 0.82 ) 2 and YbInCu 4 by using a miniature pulsed magnet, which was developed recently by Matsuda et al. The XMCD data are taken at 5 K by transmission measurements for incident X-rays with ± helicities at BL39XU in SPring-8. After giving a survey on recent developments in the theory of XMCD spectra for mixed-valence Ce and Yb compounds, we calculate the XMCD spectra of YbInCu 4 at the field-induced valence transition around 32 T by applying the recent theoretical framework and by newly introducing at 32 T a discontinuous change in the Yb 4f level and that in the hybridization strength between the Yb 4f and conduction electrons. The calculated results are compared with the experimental ones.

Compound transstyloid, transscaphoid, perilunate fracture dislocation

Directory of Open Access Journals (Sweden)

Nadeem Ali

2013-01-01

Full Text Available Compound fracture dislocations of proximal carpal bones are very rare. We report a 26-year-old male, Defense personnel by profession, who sustained a compound Gustilo Anderson type IIIA transstyloid, transscaphoid, perilunate dislocation. The patient underwent primary proximal row carpectomy and stabilization with uni-planar, uni-lateral external fixator, and K-Wires. On follow-up after a year, the patient had almost negligible range of motion around wrist without any significant discomfort.

Impact of hydrogen absorption on crystal structure and magnetic properties of RE{sub 2}T{sub 2}X compounds

Energy Technology Data Exchange (ETDEWEB)

Mašková, S., E-mail: maskova@mag.mff.cuni.cz [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic); Kolomiets, A. [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic); Department of Physics, Lviv Polytechnic National University, Lviv (Ukraine); Havela, L. [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic); Andreev, A.V. [Institute of Physics, AVCR, Prague 8 (Czech Republic); Svoboda, P. [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic)

2015-10-05

Highlights: • RE{sub 2}Pd{sub 2}In(Sn) compounds absorb, depending on RE, different amounts of hydrogen. • Compounds with the light rare earths become amorphous upon the hydrogenation. • Compounds with the heavy rare earths preserve the original tetragonal structure. • Magnetic ordering temperatures of RE{sub 2}Pd{sub 2}In compounds are reduced by the hydrogenation. - Abstract: RE{sub 2}Pd{sub 2}In, RE{sub 2}Pd{sub 2}Sn compounds (RE = rare earth) absorb, depending on the rare earth (RE) element, different amounts of hydrogen. The parent compounds RE{sub 2}Pd{sub 2}In show the linear decrease of both lattice parameters and the unit cell volume with the increasing atomic number of RE, attributed to the lanthanide contraction. All the compounds absorb at least 2 H/f.u.; the tetragonal structure is merely expanded. The expansion is anisotropic (Δc/c > Δa/a), and for RE = Tb, Dy, Ho, and Er the lattice even contracts along the a-axis (Δa/a < 0), whereas Δc/c still weakly increases. A higher H concentration can be achieved in the compounds with light rare earths (La, Nd, both for In and Sn), which then become amorphous. The magnetic ordering temperatures of all studied RE{sub 2}Pd{sub 2}In compounds are dramatically reduced by the hydrogenation, typically to the temperature range below 1.8 K.

Volatile organic compounds in a residential and commercial urban area with a diesel, compressed natural gas and oxygenated gasoline vehicular fleet.

Science.gov (United States)

Martins, Eduardo Monteiro; Arbilla, Graciela; Gatti, Luciana Vanni

2010-02-01

Air samples were collected in a typical residential and commercial area in Rio de Janeiro, Brazil, where buses and trucks use diesel and light duty vehicles use compressed natural gas, ethanol, and gasohol (gasoline blended with ethanol) as fuel. A total of 66 C3-C12 volatile organic compounds (VOCs) were identified. The most abundant compounds, on a mass concentration basis, included propane, isobutane, i-pentane, m,p-xylene, 1,3,5-trimethylbenzene, toluene, styrene, ethylbenzene, isopropylbenzene, o-xylene and 1,2,4-trimethylbenzene. Two VOCs photochemical reactivity rankings are presented: one involves reaction with OH and the other involves production of ozone.

Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

Directory of Open Access Journals (Sweden)

Liao Hsuan-Yu

2016-01-01

Full Text Available The partition coefficients of 51 organic compounds between SPME/PDMS and gas were compiled from the literature sources in this study. The effect of physicochemical properties and descriptors on the partitioning process of partition coefficients was explicated by the correlation analysis. The PDMS-gas partition coefficients were well correlated to the molecular weight of organic compounds (r = 0.832, p < 0.05. An empirical model, consisting of the molecular weight and the polarizability, was developed to appropriately predict the partition coefficients of organic compounds. The empirical model for estimating the PDMS-gas partition coefficient will contribute to the practical applications of the SPME technique.

Micrometeorological measurement of hexachlorobenzene and polychlorinated biphenyl compound air-water gas exchange in Lake Superior and comparison to model predictions

Directory of Open Access Journals (Sweden)

M. D. Rowe

2012-05-01

Full Text Available Air-water exchange fluxes of persistent, bioaccumulative and toxic (PBT substances are frequently estimated using the Whitman two-film (W2F method, but micrometeorological flux measurements of these compounds over water are rarely attempted. We measured air-water exchange fluxes of hexachlorobenzene (HCB and polychlorinated biphenyls (PCBs on 14 July 2006 in Lake Superior using the modified Bowen ratio (MBR method. Measured fluxes were compared to estimates using the W2F method, and to estimates from an Internal Boundary Layer Transport and Exchange (IBLTE model that implements the NOAA COARE bulk flux algorithm and gas transfer model. We reveal an inaccuracy in the estimate of water vapor transfer velocity that is commonly used with the W2F method for PBT flux estimation, and demonstrate the effect of use of an improved estimation method. Flux measurements were conducted at three stations with increasing fetch in offshore flow (15, 30, and 60 km in southeastern Lake Superior. This sampling strategy enabled comparison of measured and predicted flux, as well as modification in near-surface atmospheric concentration with fetch, using the IBLTE model. Fluxes estimated using the W2F model were compared to fluxes measured by MBR. In five of seven cases in which the MBR flux was significantly greater than zero, concentration increased with fetch at 1-m height, which is qualitatively consistent with the measured volatilization flux. As far as we are aware, these are the first reported ship-based micrometeorological air-water exchange flux measurements of PCBs.

Volatile organic compounds in emissions from brown-coal-fired residential stoves

International Nuclear Information System (INIS)

Engewald, W.; Knobloch, T.; Efer, J.

1993-01-01

Volatile organic compounds were determined in stack-gas emissions from the residential burning of brown-coal briquets using adsorptive enrichment on hydrophobic adsorbents, thermal desorption and capillary-gas chromatographic analysis. 152 compounds were identified and quantified. Quantitative emission factors of the identified individual compounds were determined in relation to the amount of the fuel used. These factors permit assessment of the pollution of the city of Leipzig with volatile organic compounds resulting from the burning of indigenous lignite. (orig.) [de

Exchange energy in the local Airy gas approximation

DEFF Research Database (Denmark)

Vitos, Levente; Johansson, B.; Kollár, J.

2000-01-01

The Airy gas model of the edge electron gas is used to construct an exchange-energy functional that is an alternative to those obtained in the local-density and generalized-gradient approximations. Test calculations for rare-gas atoms, molecules, solids, and surfaces show that the Airy gas...

Process for removing a mixture containing iodine and alkyl iodine compounds from a gas phase or aqueous solution with ion-exchange resins

Energy Technology Data Exchange (ETDEWEB)

Shimizu, H; Mizuuchi, A; Yokoyama, F

1968-10-04

Iodine and alkyl iodine compounds are removed from a gas phase or aqueous solution containing salts, iodine and iodine compounds, such as the ambient gas in a reactor, if an accident should occur. The process comprises contacting the phase or solution: (a) with a hydrogen type strongly acidic cationic exchange resin, (b) with an anionic exchange resin containing quarternary ammonium and (c) with an anionic exchange resin containing free basic type tertiary amine, in this order or by reversing the order of the two anionic exchange resins. Although no problems arise in the liquid phase reaction, the ion-exchange resins in the gas phase reaction are desired in the moist state in order to stable maintain the migration speed of the materials to be removed regardless of the relative humidity of the amibent gas. In example I, Amberlite IRA-900 of 200 mm thickness as the lowermost bed, Amberlite IRA93 of 200 mm thickness as the middle bed and Amberlite 200 of 200 mm thickness as the uppermost bed were filled respectively, in a methacrylate resin cylinder with an inner diameter of 25 mm. A solution containing 15.9 mg/1 of iodine, 41.2 mg/1 of methyl iodide and 550 mg/1 of sodium carbonate flows at a rate of 15 liter/hr downward through the beds. As a result of testing, no iodine, iodine ions, iodic acid ions and methyl iodine were detected. The amount of water the beds could treat was 60 times the total quantity of the filled resins.

Analysis of pharmaceutical and other organic wastewater compounds in filtered and unfiltered water samples by gas chromatography/mass spectrometry

Science.gov (United States)

Zaugg, Steven D.; Phillips, Patrick J.; Smith, Steven G.

2014-01-01

Research on the effects of exposure of stream biota to complex mixtures of pharmaceuticals and other organic compounds associated with wastewater requires the development of additional analytical capabilities for these compounds in water samples. Two gas chromatography/mass spectrometry (GC/MS) analytical methods used at the U.S. Geological Survey National Water Quality Laboratory (NWQL) to analyze organic compounds associated with wastewater were adapted to include additional pharmaceutical and other organic compounds beginning in 2009. This report includes a description of method performance for 42 additional compounds for the filtered-water method (hereafter referred to as the filtered method) and 46 additional compounds for the unfiltered-water method (hereafter referred to as the unfiltered method). The method performance for the filtered method described in this report has been published for seven of these compounds; however, the addition of several other compounds to the filtered method and the addition of the compounds to the unfiltered method resulted in the need to document method performance for both of the modified methods. Most of these added compounds are pharmaceuticals or pharmaceutical degradates, although two nonpharmaceutical compounds are included in each method. The main pharmaceutical compound classes added to the two modified methods include muscle relaxants, opiates, analgesics, and sedatives. These types of compounds were added to the original filtered and unfiltered methods largely in response to the tentative identification of a wide range of pharmaceutical and other organic compounds in samples collected from wastewater-treatment plants. Filtered water samples are extracted by vacuum through disposable solid-phase cartridges that contain modified polystyrene-divinylbenzene resin. Unfiltered samples are extracted by using continuous liquid-liquid extraction with dichloromethane. The compounds of interest for filtered and unfiltered sample

Experimental investigation of the chemistry of excited states of rare gases. Technical progress report, October 15, 1975--July 15, 1976

International Nuclear Information System (INIS)

Setser, D.W.

1976-07-01

Total quenching rate constants and branching ratios for rare gas halide excimer formation have been measured for Ar( 3 P 0 , 2 ), Kr( 3 P 2 ) and Xe( 3 P 2 ) reacting with chlorine and fluorine-containing molecules. Emphasis was focused on systems giving KrF* and XeF* as products. All halogen containing molecules quench metastable rare gas atoms with gas kinetic cross-sections. However, only diatomic halogens and small molecules with O-X or N-X bonds quench the metastable with high branching ratios for excimer formation. The product channels for the reagents which do not yield the rare gas halides as the main exit channel remain to be identified. The work that has been done provides a good survey of halogen donors. This work will assist in selection of the best halogen-containing molecules for use in rare gas halide excimer lasers. Tunable dye laser fluorescence experiments have been done to obtain radiative lifetimes and two body quenching rate constants (with ground state Ar) for excited states of Ar*(3p 5 ,4p) and Ar*

Position for determining gas-phase volatile organic compound concentrations in transuranic waste containers. Revision 2

Energy Technology Data Exchange (ETDEWEB)

Connolly, M.J.; Liekhus, K.J. [Lockheed Martin Idaho Technologies Co., Idaho Falls, ID (United States). Idaho National Engineering and Environmental Lab.; Djordjevic, S.M.; Loehr, C.A.; Spangler, L.R. [Benchmark Environmental Corp. (United States)

1998-06-01

In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations.

Position for determining gas phase volatile organic compound concentrations in transuranic waste containers. Revision 1

International Nuclear Information System (INIS)

Connolly, M.J.; Liekhus, K.J.; Djordjevic, S.M.; Loehr, C.A.; Spangler, L.R.

1995-08-01

In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering Laboratory (INEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations

Position for determining gas-phase volatile organic compound concentrations in transuranic waste containers. Revision 2

International Nuclear Information System (INIS)

Connolly, M.J.; Liekhus, K.J.

1998-06-01

In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations

Experiments on state selection and Penning ionisation with fast metastable rare gas atoms

International Nuclear Information System (INIS)

Kroon, J.P.C.

1985-01-01

This thesis describes experiments with metastable He/Ne atoms. The experiments are performed in a crossed beam machine. Two different sources are used for the production of metastable atoms: a source for the production of metastable atoms in the thermal energy range and a hollow cathode arc for the production of metastable atoms in the superthermal energy range (1-7 eV). The progress made in the use of the hollow cathode arc is described as well as the experimental set-up. The rare gas energy-level diagram is characterized by two metastable levels. By optical pumping it is possible to select a single metastable level, both for He and Ne. For the case of He this is done by a recently built He quenchlamp which selectively quenches the metastable 2 1 S level population. In the thermal energy range the quenching is complete; in the superthermal energy range the 2 1 S level population is only partly quenched. For the optical pumping of Ne* atoms a cw dye laser is used. New experiments have been started on the measurement, in a crossed beam machine, of the fluorescence caused by inelastic collisions where metastable atoms are involved. The He* + Ne system is used as a pilot study for these experiments. The He-Ne laser is based on this collision system. (Auth.)

CO_2 gas sensors based on rare earth oxycarbonates

International Nuclear Information System (INIS)

Haensch, Alexander

2016-01-01

This title presents a new type of CO_2 gas sensor, that allows the measurement of CO_2 gas with very low effort. The measurement principle is based on two semiconducting materials. One the ''receptor'' and a ''transducer'' form a semiconductor junction. Electronic changes in the receptor change the electrical resistance in the transducer and therefor allow the easy electrical measurement. The reactivity and the reaction mechanism is thoroughly studied. In the first part the basics and resistance measurements are presented. A comparison between different mixtures is done. The main part studies the surface chemistry with operando DRIFT spectroscopy. The chemical reactivity of different target gases and background gases is studied thoroughly. The electronic properties of Oxycarbonates and the combination of oxycarbonate and tin oxide were studied using operando Kelvin probes measurements. The result is that CO_2 alters the electron affinity of the material. Once moisture is present, an additional band bending is visible. The band bending dominated in a humid atmosphere, the work function changes. The electronic connection of oxycarbonate and tin oxide, the work function change of Oxycarbonates can be transferred to the tin oxide. Using the collected data, a basic idea of the operation will be presented by a two-semiconductor materials gas sensor.

Antibacterial, Anticancer and Neuroprotective Activities of Rare Actinobacteria from Mangrove Forest Soils.

Science.gov (United States)

Azman, Adzzie-Shazleen; Othman, Iekhsan; Fang, Chee-Mun; Chan, Kok-Gan; Goh, Bey-Hing; Lee, Learn-Han

2017-06-01

Mangrove is a complex ecosystem that contains diverse microbial communities, including rare actinobacteria with great potential to produce bioactive compounds. To date, bioactive compounds extracted from mangrove rare actinobacteria have demonstrated diverse biological activities. The discovery of three novel rare actinobacteria by polyphasic approach, namely Microbacterium mangrovi MUSC 115 T , Sinomonas humi MUSC 117 T and Monashia flava MUSC 78 T from mangrove soils at Tanjung Lumpur, Peninsular Malaysia have led to the screening on antibacterial, anticancer and neuroprotective activities. A total of ten different panels of bacteria such as Methicillin-resistant Staphylococcus aureus (MRSA) ATCC 43300, ATCC 70069, Pseudomonas aeruginosa NRBC 112582 and others were selected for antibacterial screening. Three different neuroprotective models (hypoxia, oxidative stress, dementia) were done using SHSY5Y neuronal cells while two human cancer cells lines, namely human colon cancer cell lines (HT-29) and human cervical carcinoma cell lines (Ca Ski) were utilized for anticancer activity. The result revealed that all extracts exhibited bacteriostatic effects on the bacteria tested. On the other hand, the neuroprotective studies demonstrated M. mangrovi MUSC 115 T extract exhibited significant neuroprotective properties in oxidative stress and dementia model while the extract of strain M. flava MUSC 78 T was able to protect the SHSY5Y neuronal cells in hypoxia model. Furthermore, the extracts of M. mangrovi MUSC 115 T and M. flava MUSC 78 T exhibited anticancer effect against Ca Ski cell line. The chemical analysis of the extracts through GC-MS revealed that the majority of the compounds present in all extracts are heterocyclic organic compound that could explain for the observed bioactivities. Therefore, the results obtained in this study suggested that rare actinobacteria discovered from mangrove environment could be potential sources of antibacterial, anticancer and

Rare resource supply crisis and solution technology for semiconductor manufacturing

Science.gov (United States)

Fukuda, Hitomi; Hu, Sophia; Yoo, Youngsun; Takahisa, Kenji; Enami, Tatsuo

2016-03-01

There are growing concerns over future environmental impact and earth resource shortage throughout the world and in many industries. Our semiconductor industry is not excluded. "Green" has become an important topic as production volume become larger and more powerful. Especially, the rare gases are widely used in semiconductor manufacturing because of its inertness and extreme chemical stability. One major component of an Excimer laser system is Neon. It is used as a buffer gas for Argon (Ar) and Krypton (Kr) gases used in deep ultraviolet (DUV) lithography laser systems. Since Neon gas accounting for more than 96% of the laser gas mixture, a fairly large amount of neon gas is consumed to run these DUV lasers. However, due to country's instability both in politics and economics in Ukraine, the main producer of neon gas today, supply reduction has become an issue and is causing increasing concern. This concern is not only based on price increases, but has escalated to the point of supply shortages in 2015. This poses a critical situation for the semiconductor industry, which represents the leading consumer of neon gas in the world. Helium is another noble gas used for Excimer laser operation. It is used as a purge gas for optical component modules to prevent from being damaged by active gases and impurities. Helium has been used in various industries, including for medical equipment, linear motor cars, and semiconductors, and is indispensable for modern life. But consumption of helium in manufacturing has been increased dramatically, and its unstable supply and price rise has been a serious issue today. In this article, recent global supply issue of rare resources, especially Neon gas and Helium gas, and its solution technology to support semiconductor industry will be discussed.

Determination of free amino compounds in betalainic fruits and vegetables by gas chromatography with flame ionization and mass spectrometric detection.

Science.gov (United States)

Kugler, Florian; Graneis, Stephan; Schreiter, Pat P-Y; Stintzing, Florian C; Carle, Reinhold

2006-06-14

Amino acids and amines are the precursors of betalains. Therefore, the profiles of free amino compounds in juices obtained from cactus pears [Opuntia ficus-indica (L.) Mill. cv. Bianca, cv. Gialla, and cv. Rossa], pitaya fruits [Selenicereus megalanthus (K. Schumann ex Vaupel) Moran, Hylocereus polyrhizus (Weber) Britton & Rose, and Hylocereus undatus (Haworth) Britton & Rose], and in extracts from differently colored Swiss chard [Beta vulgaris L. ssp. cicla (L.) Alef. cv. Bright Lights] petioles and red and yellow beets (B. vulgaris L. ssp. vulgaris var. conditiva Alef. cv. Burpee's Golden) were investigated for the first time. Amino compounds were derivatized with propyl chloroformate. While gas chromatography (GC) with mass spectrometry was used for peak assignment, GC flame ionization detection was applied for quantification of individual compounds. Whereas proline was the major free amino compound of cactus pear and pitaya fruit juices, glutamine dominated in Swiss chard stems and beets, respectively. Interestingly, extremely high concentrations of dopamine were detected in Swiss chard stems and beets. Furthermore, the cleavage of betaxanthins caused by derivatization in alkaline reaction solutions is demonstrated for the first time. Amino acids and amines thus released might increase the actual free amino compound contents of the respective sample. To evaluate the contribution of betaxanthin cleavage to total amino acid and amine concentration, isolated betaxanthins were derivatized according to the "EZ:faast" method prior to quantification of the respective amino compounds released. On a molar basis, betaxanthin contribution to overall amino compound contents was always below 6.4%.

A study on volatile organic compounds emitted by in-vitro lung cancer cultured cells using gas sensor array and SPME-GCMS.

Science.gov (United States)

Thriumani, Reena; Zakaria, Ammar; Hashim, Yumi Zuhanis Has-Yun; Jeffree, Amanina Iymia; Helmy, Khaled Mohamed; Kamarudin, Latifah Munirah; Omar, Mohammad Iqbal; Shakaff, Ali Yeon Md; Adom, Abdul Hamid; Persaud, Krishna C

2018-04-02

Volatile organic compounds (VOCs) emitted from exhaled breath from human bodies have been proven to be a useful source of information for early lung cancer diagnosis. To date, there are still arguable information on the production and origin of significant VOCs of cancer cells. Thus, this study aims to conduct in-vitro experiments involving related cell lines to verify the capability of VOCs in providing information of the cells. The performances of e-nose technology with different statistical methods to determine the best classifier were conducted and discussed. The gas sensor study has been complemented using solid phase micro-extraction-gas chromatography mass spectrometry. For this purpose, the lung cancer cells (A549 and Calu-3) and control cell lines, breast cancer cell (MCF7) and non-cancerous lung cell (WI38VA13) were cultured in growth medium. This study successfully provided a list of possible volatile organic compounds that can be specific biomarkers for lung cancer, even at the 24th hour of cell growth. Also, the Linear Discriminant Analysis-based One versus All-Support Vector Machine classifier, is able to produce high performance in distinguishing lung cancer from breast cancer cells and normal lung cells. The findings in this work conclude that the specific VOC released from the cancer cells can act as the odour signature and potentially to be used as non-invasive screening of lung cancer using gas array sensor devices.

Development of Ni-Based Catalysts Derived from Hydrotalcite-Like Compounds Precursors for Synthesis Gas Production via Methane or Ethanol Reforming

OpenAIRE

Ya-Li Du; Xu Wu; Qiang Cheng; Yan-Li Huang; Wei Huang

2017-01-01

As a favorably clean fuel, syngas (synthesis gas) production has been the focus of concern in past decades. Substantial literatures reported the syngas production by various catalytic reforming reactions particularly in methane or ethanol reforming. Among the developed catalysts in these reforming processes, Ni-based catalysts from hydrotalcite-like compounds (HTLcs) precursors have drawn considerable attention for their preferable structural traits. This review covers the recent literature r...

A Rare Case of β-Ketothiolase Deficiency

Directory of Open Access Journals (Sweden)

B. Modh

2015-06-01

Full Text Available We are reporting a case of β-ketothiolase deficiency, a rare disorder of amino acid metabolism. A 10 month old child presented with complaints of vomiting, convulsions, fever and altered sensorium that on investigations showed metabolic acidosis, hyperammonemia and ketosis. Gas chromatography/ mass spectroscopic examination was suggestive of β-ketothiolase deficiency.

The use of radon (Rn-222) and volatile organic compounds in monitoring soil gas to localize NAPL contamination at a gas station in Rio Claro, São Paulo State, Brazil

International Nuclear Information System (INIS)

Barbosa, E.Q.; Galhardi, J.A.; Bonotto, D.M.

2014-01-01

This study focuses on the presence of radon ( 222 Rn) and volatile organic compounds (VOCs) in soil gases at a gas station located in the city of Rio Claro, São Paulo, Brazil, where a fossil fuel leak occurred. The spatial distribution results show a correlation between 222 Rn and VOCs, consistent with the fact that radon gas has a greater chemical affinity with organic phases than with water. This finding demonstrates that the presence of a residual hydrocarbon phase in an aquifer can retain radon, leading to a reduced radon content in the soil gas. The data in this study confirm the results of previous investigations, in which the method used in this study provided a preliminary fingerprint of a contaminated area. Furthermore, the data analysis time is brief, and only simple equipment is required. - Highlights: • 222 Rn in soil gases. • Correlation between 222 Rn and VOCs. • Useful method as a preliminary fingerprint of a contaminated area

On halide derivatives of rare-earth metal(III) oxidomolybdates(VI) and -tungstates(VI)

International Nuclear Information System (INIS)

Schleid, Thomas; Hartenbach, Ingo

2016-01-01

Halide derivatives of rare-earth metal(III) oxidomolybdates(VI) have been investigated comprehensively over the last decade comprising the halogens fluorine, chlorine, and bromine. Iodide-containing compounds are so far unknown. The simple composition REXMoO 4 (RE=rare-earth element, X=halogen) is realized for X=F almost throughout the complete lanthanide series as well as for yttrium. While ytterbium and lutetium do not form any fluoride derivative, for lanthanum, only a fluoride-deprived compound with the formula La 3 FMo 4 O 16 is realized. Moreover, molybdenum-rich compounds with the formula REXMo 2 O 7 are also known for yttrium and the smaller lanthanoids. For X=Cl the composition REClMoO 4 is known for yttrium and the whole lanthanide series, although, four different structure types were identified. Almost the same holds for X=Br, however, only two different structure types are realized in this class of compounds. In the case of halide derivatives of rare-earth metal(III) oxidotungstates(VI) the composition REXWO 4 is found for chlorides and bromides only, so far. Due to the similar size of Mo 6+ and W 6+ cations, the structures found for the tungstates are basically the same as for the molybdates. With the larger lanthanides, the representatives for both chloride and bromide derivates exhibit similar structural motifs as seen in the molybdates, however, the crystal structure cannot be determined reliably. In case of the smaller lanthanoids, the chloride derivatives are isostructural with the respective molybdates, although the existence ranges differ slightly. The same is true for rare-earth metal(III) bromide oxidotungstates(VI).

On some derived compounds of fluorides of Cerium III or IV: defined compounds and non stoichiometric phases

International Nuclear Information System (INIS)

Besse, Jean-Pierre

1968-01-01

This research study addresses the study of rare earth fluorides. It reports the preparation and study of new fluoro-cerates (IV) in order to complete the set of already known compounds (ammonium fluoro-cerate, and alkaline earth compounds), the study of binary CeF 3 binary systems, monovalent and divalent fluorides, and CeF 3 -NF 2 -N'F ternary systems, and the study of non stoichiometric phases in CeF 3 oxides, sulphides and selenides [fr

Rare earths production and marketing opportunities

International Nuclear Information System (INIS)

Falconnet, P.G.

1988-01-01

The rare earths (RE) market is relatively small. The total production during 1968 was only 10000 tons (REO) which rose to 27000 tons (REO) during 1985. The three major areas of application, which are volume market for ceric rare earths are catalysts, glass ceramics and metallurgy. Among the other uses of rare earths, the permanent magnets, lamp phosphors and fine ceramics have registered significant growth in RE consumption. Monazite and bastnasite are the main natural source for rare earths and processing of these for one of the rare earths in high demand leads to over production of some others not in demand, thus creating a balance problem. The growth in RE market has always been influenced by the technology shifts and product substitution. For example, the RE consumption during 1974/76 for desulfurization of steel had substantially decreased due to the usage of calcium. Similarly, 1985 had witnessed a drastic cut in the use of REs in fluid cracking due to the introduction of stabilized zeolites which contain less REO. Thus, the overall compound growth rate of demand was only 3.9 % per year during the period 1970-1985. At present, 37 % of the rare earths production goes to the glass/ceramics industry, 33 % for catalyst and 25 % to metallurgy. The price of REs constantly shows a downward trend. This trend coupled with the rapid changes taking place in the various technological fields, demands greater flexibility and high marketing skills from the RE producers. The key factor for future expansion of RE market will be the development of 'high volume' application of ceric rare earths. (author) 2 figs., 8 tabs

Magnetic properties of RT2Zn20; R = rare earth, T = Fe, Co, Ru, Rh, Os and Ir

International Nuclear Information System (INIS)

Jia, Shuang

2008-01-01

It is well known that rare earth intermetallic compounds have versatile, magnetic properties associated with the 4f electrons: a local moment associated with the Hund's rule ground state is formed in general, but a strongly correlated, hybridized state may also appear for specific 4f electronic configuration (eg. for rare earth elements such as Ce or Yb). On the other hand, the conduction electrons in rare earth intermetallic compounds, certainly ones associated with non hybridizing rare earths, usually manifest non-magnetic behavior and can be treated as a normal, non-interacted Fermi liquid, except for some 3d-transition metal rich binary or ternary systems which often manifest strong, itinerant, d electron dominant magnetic behavior. Of particular interest are examples in which the band filling of the conduction electrons puts the system in the vicinity of a Stoner transition: such systems, characterized as nearly or weakly ferromagnet, manifest strongly correlated electronic properties (Moriya, 1985). For rare earth intermetallic compounds, such systems provide an additional versatility and allow for the study of the behaviors of local moments and hybridized moments which are associated with 4f electron in a correlated conduction electron background.

Gas chromatography--inductively coupled plasma--time-of-flight mass spectrometry for the speciation analysis of organolead compounds in environmental water samples.

Science.gov (United States)

Heisterkamp, M; Adams, F C

2001-07-01

The application of inductively coupled plasma--time-of-flight mass spectrometry for the speciation analysis of organolead compounds in environmental waters is described. Construction of the transfer line was achieved by means of a relatively simple and rapid coupling procedure. Derivatization of the ionic lead species was achieved by in-situ propylation with sodium tetrapropylborate; simultaneous extraction of the derivatized compounds in hexane was followed by separation and detection by capillary gas chromatography hyphenated to inductively coupled plasma-time-of-flight mass spectrometry. Detection limits for the different organolead species ranged from 10 to 15 fg (as Pb), corresponding to procedural detection limits between 50 and 75 ng L(-1), on the basis of a 50 mL snow sample, extraction with 200 microL hexane, and subsequent injection of 1 microL of the organic extract on to the column. The accuracy of the system was confirmed by additional analysis of the water samples by capillary gas chromatography coupled with microwave-induced plasma-atomic-emission spectrometry and the analysis of a standard reference material CRM 605 (road dust) with a certified content of trimethyllead.

Annealed coated air-stable cobalt--rare earth alloy particles

International Nuclear Information System (INIS)

Smeggil, J.C.; Charles, R.J.

1975-01-01

A process is described for producing novel air-stable coated particles of a magnetic transition metal-rare earth alloy. An organometallic compound which decomposes at a temperature below 500 0 C is heated to produce a metal vapor which is contacted with particles of a transition metal-rare earth alloy to deposit a metal coating thereon. The coated particles are heated at a temperature ranging from 50 to 200 0 C for a period of time sufficient to increase their intrinsic coercive force by at least 10 percent. (U.S.)

PULSE RADIOLYSIS IN SUPERCRITICAL RARE GAS FLUIDS

International Nuclear Information System (INIS)

HOLROYD, R.

2007-01-01

Recently, supercritical fluids have become quite popular in chemical and semiconductor industries for applications in chemical synthesis, extraction, separation processes, and surface cleaning. These applications are based on: the high dissolving power due to density build-up around solute molecules, and the ability to tune the conditions of a supercritical fluid, such as density and temperature, that are most suitable for a particular reaction. The rare gases also possess these properties and have the added advantage of being supercritical at room temperature. Information about the density buildup around both charged and neutral species can be obtained from fundamental studies of volume changes in the reactions of charged species in supercritical fluids. Volume changes are much larger in supercritical fluids than in ordinary solvents because of their higher compressibility. Hopefully basic studies, such as discussed here, of the behavior of charged species in supercritical gases will provide information useful for the utilization of these solvents in industrial applications

CPA theory of the magnetization in rare earth transition metal alloys

International Nuclear Information System (INIS)

Szpunar, B.; Lindgaard, P.A.

1976-11-01

Calculations were made of the magnetic moment per atom of the transition metal and the rare earth metal in the intermetallic compounds, Gdsub(1-x)Nisub(x), Gdsub(1-x)Fesub(x), Gdsub(1-x)Cosub(x), and Ysub(1-x)Cosub(x). A simple model of the disordered alloy consisting of spins localized on the rare earth atoms and interacting with a narrow d-band is considered. The magnetic moment of the alloy at zero temperature is calculated within the molecular field and Hartree-Fock approximations. Disorder is treated in the coherent potential approximation. Results are in good agreement with the experimental data obtained for the crystalline and amorphous intermetallic compounds. It is shown that the temperature dependence of the magnetic moments and Curie and ferrimagnetic compensation temperatures can be accounted for by a simple model assuming a RKKY interaction between the rare-earth moments and the transition metal pseudo spin. The interaction is mediated by an effective alloy medium calculated using the CPA theory and elliptic densities of states. (Auth.)

Electron thermalization in rare gases and their mixtures

International Nuclear Information System (INIS)

Bronic, I.K.; Kimura, M.

1996-01-01

The time evolution and temperature dependence of electron energy distribution functions (EDFs) are studied in pure rare gases (He, Ne, Ar, Kr, Xe) as well as in their mixtures by using solutions of the Boltzmann equation. A clear difference between the gases having the Ramsauer endash Townsend (RT) minimum in the momentum-transfer cross section, (RT gases: Ar, Kr, and Xe), and those without the RT minimum (non-RT gases: He and Ne) is pointed out. The influence of the position and the depth of the RT minimum on the EDF and time evolution is studied for three different initial electron energies. A formula proposed for describing thermalization time in a mixture is tested on (i) a non-RT endash non-RT gas mixture, (ii) a RT endash non-RT mixture and (iii) a RT endash RT gas mixture. The linear combination of the reciprocal thermalization times in gas mixture with the component concentrations as weighting factors is found to be valid for gases with a similar energy dependence of the momentum-transfer cross section, σ m , and also for all rare-gas binary mixtures if the initial electron energy is sufficiently below the RT minimum. Conspicuous deviations from the linear relationship are observed in mixtures of gases whose energy dependence of σ m (or the stopping cross section) are different, and theoretical rationales for these findings are provided. copyright 1996 American Institute of Physics

Coherent and non coherent atom optics experiment with an ultra-narrow beam of metastable rare gas atoms

International Nuclear Information System (INIS)

Grucker, J.

2007-12-01

In this thesis, we present a new type of atomic source: an ultra-narrow beam of metastable atoms produced by resonant metastability exchange inside a supersonic beam of rare gas atoms. We used the coherence properties of this beam to observe the diffraction of metastable helium, argon and neon atoms by a nano-transmission grating and by micro-reflection-gratings. Then, we evidenced transitions between Zeeman sublevels of neon metastable 3 P 2 state due to the quadrupolar part of Van der Waals potential. After we showed experimental proofs of the observation of this phenomenon, we calculated the transition probabilities in the Landau - Zener model. We discussed the interest of Van der Waals - Zeeman transitions for atom interferometry. Last, we described the Zeeman cooling of the supersonic metastable argon beam ( 3 P 2 ). We have succeeded in slowing down atoms to speeds below 100 m/s. We gave experimental details and showed the first time-of-flight measurements of slowed atoms

Hot and Dry Cleaning of Biomass-Gasified Gas Using Activated Carbons with Simultaneous Removal of Tar, Particles, and Sulfur Compounds

Directory of Open Access Journals (Sweden)

Kinya Sakanishi

2012-05-01

Full Text Available This study proposes a gas-cleaning process for the simultaneous removal of sulfur compounds, tar, and particles from biomass-gasified gas using Fe-supported activated carbon and a water-gas shift reaction. On a laboratory scale, the simultaneous removal of H2S and COS was performed under a mixture of gases (H2/CO/CO2/CH4/C2H4/N2/H2S/COS/steam. The reactions such as COS + H2 → H2S + CO and COS + H2O → H2S + CO2 and the water-gas shift reaction were promoted on the Fe-supported activated carbon. The adsorption capacity with steam was higher than that without steam. On a bench scale, the removal of impurities from a gas derived from biomass gasification was investigated using two activated filters packed with Fe-supported activated carbon. H2S and COS, three- and four-ring polycyclic aromatic hydrocarbons (PAHs, and particles were removed and a water-gas shift reaction was promoted through the first filter at 320–350 °C. The concentrations of H2S and COS decreased to less than 0.1 ppmv. Particles and the one- and two-ring PAHs, except for benzene, were then removed through the second filter at 60–170 °C. The concentration of tar and particles decreased from 2428 to 102 mg Nm−3 and from 2244 to 181 mg Nm−3, respectively.

Average energy expended per ion pair, exciton enhanced ionization (Jesse effect), electron drift velocity, average electron energy and scintillation in rare gas liquids

International Nuclear Information System (INIS)

Doke, T.; Hitachi, A.; Hoshi, Y.; Masuda, K.; Hamada, T.

1977-01-01

Precise measurements of W-values, the average energy expended per electron-hole pair in liquid Ar and Xe, were made by the electron-pulse method, and that in liquid Kr by the steady conduction current method. The results showed that the W-values were clearly smaller than those in gaseous Ar, Xe and Kr as predicted by Doke. The results can be explained by the conduction bands which exist in these rare gas liquids as well as in the solid state. The enhanced ionization yield was observed for Xe-doped liquid Ar, and it was attributed to the ionizing excitation transfer process from Ar excitons to doped Xe. This is very similar to the Jesse effect in the gas phase. The saturated value of the enhanced ionization was in good agreement with the theoretical value, and it provides strong evidence for the existence of the exciton states in liquid Ar. Fano factors in liquid Ar, Kr, Xe and Xe-doped liquid Ar have been estimated from the Fano Formula, and they were smaller than those in the gas phase. The drift velocity of electrons in liquid Ar, liquid Ar-gas mixtures and liquid Xe have been measured with gridded ionization chambers. The average electron energy in liquid Ar has been measured. The electron-induced scintillations of liquid Xe and Ar have been studied. (Kato, T.)

Isolation of volatile compounds of Aloe excelsa (Berger ...

African Journals Online (AJOL)

PROMOTING ACCESS TO AFRICAN RESEARCH ... Industrial and pharmacological applications of volatile and non-volatile compounds isolated ... Three commercially important compounds, namely: phenylacetonitrile, carvone and limonene were identified using gas ... EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT

Rare-earth-free high energy product manganese-based magnetic materials.

Science.gov (United States)

Patel, Ketan; Zhang, Jingming; Ren, Shenqiang

2018-06-14

The constant drive to replace rare-earth metal magnets has initiated great interest in an alternative. Manganese (Mn) has emerged to be a potential candidate as a key element in rare-earth-free magnets. Its five unpaired valence electrons give it a large magnetocrystalline energy and the ability to form several intermetallic compounds. These factors have led Mn-based magnets to be a potential replacement for rare-earth permanent magnets for several applications, such as efficient power electronics, energy generators, magnetic recording and tunneling applications, and spintronics. For past few decades, Mn-based magnets have been explored in many different forms, such as bulk magnets, thin films, and nanoparticles. Here, we review the recent progress in the synthesis and structure-magnetic property relationships of Mn-based rare-earth-free magnets (MnBi, MnAl and MnGa). Furthermore, we discuss their potential to replace rare-earth magnetic materials through the control of their structure and composition to achieve the theoretically predicted magnetic properties.

Devices for collecting chemical compounds

Science.gov (United States)

Scott, Jill R; Groenewold, Gary S

2013-12-24

A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

Method of separating radioactive krypton gas

International Nuclear Information System (INIS)

Kimura, Shigeru; Awada, Yoshihisa.

1975-01-01

Object: To effectively and safely separate and recover Kr-85, which requires a long storage period for attenuating radioactivity, from a mixture gas consisting of Kr-85 and Xe by a liquefaction distillation method. Structure: A mixture gas consisting of Kr and Xe is subjected to heat exchange in a cooler with Freon gas from a plurality of distillation towers for its temperature reduction from normal temperature to a lower temperature, and then it is supplied to a distillation tower. The distillation tower is held at a pressure above 15 ata, preferably around 20 ata, and a condenser provided at the top of the distillation tower is furnished with Freon as cooling medium. The rare mixture gas is distilled by liquefaction within a distillation tower, and Kr-85 is obtained from a top duct while obtaining Xe from a bottom duct. Xe after separation by liquefaction is returned to a rare mixture gas supply inlet of a liquefaction distillation means for repeated refinement in the distillation tower. (Kamimura, M.)

Source signature of volatile organic compounds from oil and natural gas operations in northeastern Colorado.

Science.gov (United States)

Gilman, J B; Lerner, B M; Kuster, W C; de Gouw, J A

2013-02-05

An extensive set of volatile organic compounds (VOCs) was measured at the Boulder Atmospheric Observatory (BAO) in winter 2011 in order to investigate the composition and influence of VOC emissions from oil and natural gas (O&NG) operations in northeastern Colorado. BAO is 30 km north of Denver and is in the southwestern section of Wattenberg Field, one of Colorado's most productive O&NG fields. We compare VOC concentrations at BAO to those of other U.S. cities and summertime measurements at two additional sites in northeastern Colorado, as well as the composition of raw natural gas from Wattenberg Field. These comparisons show that (i) the VOC source signature associated with O&NG operations can be clearly differentiated from urban sources dominated by vehicular exhaust, and (ii) VOCs emitted from O&NG operations are evident at all three measurement sites in northeastern Colorado. At BAO, the reactivity of VOCs with the hydroxyl radical (OH) was dominated by C(2)-C(6) alkanes due to their remarkably large abundances (e.g., mean propane = 27.2 ppbv). Through statistical regression analysis, we estimate that on average 55 ± 18% of the VOC-OH reactivity was attributable to emissions from O&NG operations indicating that these emissions are a significant source of ozone precursors.

Selecting odorant compounds to enhance sweet flavor perception by gas chromatography/olfactometry-associated taste (GC/O-AT).

Science.gov (United States)

Barba, Carmen; Beno, Noelle; Guichard, Elisabeth; Thomas-Danguin, Thierry

2018-08-15

Gas chromatography/olfactometry-associated taste (GC/O-AT) analysis combined with mass spectrometry allowed identification of odorant compounds associated with taste attributes (sweet, salty, bitter and sour) in a multi-fruit juice. Nine compounds were selected for their odor-associated sweetness enhancement in a multi-fruit juice odor context using Olfactoscan and for their odor-induced sweet taste enhancement in sucrose solution and sugar-reduced fruit juice through sensory tests. Sweetness of the fruit juice odor was significantly enhanced by methyl 2-methylbutanoate, ethyl butanoate, ethyl 2-methylbutanoate and linalool; sweet perception was significantly enhanced in 7% sucrose solution by ethyl 2-methylbutanoate, furaneol and γ-decalactone, and in 32% sugar-reduced fruit juice by ethyl 2-methylbutanoate. GC/O-AT analysis is a novel, efficient approach to select odorants associated with a given taste. The further screening of taste-associated odorants by Olfactoscan helps to identify the most efficient odorants to enhance a target taste perception and may be used to find new ways to modulate taste perception in foods and beverages. Copyright © 2018 Elsevier Ltd. All rights reserved.

Determination of volatile organic compounds in eucalyptus fast pyrolysis bio-oil by full evaporation headspace gas chromatography.

Science.gov (United States)

Kosinski Lima, Nathalya; Romualdo Lopes, André; Gimenes Guerrero, Palimecio; Itsuo Yamamoto, Carlos; Augusto Hansel, Fabricio

2018-01-01

This paper reports a full evaporation (FE) headspace gas chromatographic (HS-GC) method for the determination of the volatile organic compounds (VOCs) in bio-oil (i.e. methanol, ethanol, acetone, acetic acid and furfural). The method uses a 4μL sample of bio-oil in a headspace vial (ca. 20mL). Complete evaporation of the compounds was achieved after seven minutes at 90°C. The method showed good precision and accuracy for methanol, ethanol, acetone and acetic acid. The recovery of furfural was low (74.3%). The results showed that the protocol can be applied for the determination of methanol, ethanol, acetone and acetic acid in bio-oil. Detection limits ranged from 0.13 to 0.16μg. Acetic acid was the dominant analyte in the heavy bio-oil and light bio-oil analysis (113. 3 and 85.1µgmg -1 , respectively), followed by methanol, ethanol, and acetone. The polymerisation of furfural was suspected as the cause of its poor quantification. Copyright © 2017 Elsevier B.V. All rights reserved.

Inductively coupled plasma-mass spectrometry for elemental analysis and isotope ratio determinations in individual organic compounds separated by gas chromatography

International Nuclear Information System (INIS)

Chong, N.S.; Houk, R.S.

1987-01-01

A gas chromatograph (GC) with a packed column was interfaced to an inductively coupled plasma-mass spectrometer (ICP-MS) to yield atomic mass spectra from volatile organic compounds. Atomization of injected compounds was nearly complete and independent of molecular structure, so that elemental ratios could be determined. Detection limits were in the range 0.001 to 400 ng s -1 , depending on the ionization energy of the element and its abundance in the background spectrum. The relative standard deviation of measured isotope ratios varied from 0.4% for Br (i.e., a ratio close to unity) to 18% for N (a very large ratio). Thus, GC-ICP-MS provides elemental and isotope ratio information that is complementary to the molecular information derived from GC-MS with conventional ionization methods

Optical Absorption Spectroscopy for Gas Analysis in Biomass Gasification

DEFF Research Database (Denmark)

Grosch, Helge

important gas species of the low-temperature circulating fluidized bed gasifier. At first, a special gas cell,the hot gas flow cell (HGC), was build up and veried. In this custom-made gas cell, the optical properties, the so-called absorption cross-sections, of the most important sulfur and aromatic...... compounds were determined in laboratory experiments. By means of the laboratory results and spectroscopic databases,the concentrations of the major gas species and the aromatic compounds phenol and naphthalene were determined in extraction and in-situ measurements....

Standard entropy for borides of non-transition metals, rare-earth metals and actinides

International Nuclear Information System (INIS)

Borovikova, M.S.

1986-01-01

Using as initial data the most reliable values of standard entropy for 10 compounds, the entropies for 40 compounds of non-transition metals, rare-earth metals and actinides have been evaluated by the method of comparative calculation. Taking into account the features of boride structures, two methods, i.e. additive and proportional, have been selected for the entropy calculations. For the range of borides the entropies were calculated from the linear relation of the latter to the number of boron atoms in the boride. For borides of rare-earth metals allowance has been made for magnetic contributions in conformity with the multiplicity of the corresponding ions. Insignificant differences in the electronic contributions to the entropy for borides and metals have been neglected. For dodecaborides only the additive method has been used. This is specified by the most rigid network that provides the same contribution to compound entropy. (orig.)

Process for removal of sulfur compounds from fuel gases

Science.gov (United States)

Moore, Raymond H.; Stegen, Gary E.

1978-01-01

Fuel gases such as those produced in the gasification of coal are stripped of sulfur compounds and particulate matter by contact with molten metal salt. The fuel gas and salt are intimately mixed by passage through a venturi or other constriction in which the fuel gas entrains the molten salt as dispersed droplets to a gas-liquid separator. The separated molten salt is divided into a major and a minor flow portion with the minor flow portion passing on to a regenerator in which it is contacted with steam and carbon dioxide as strip gas to remove sulfur compounds. The strip gas is further processed to recover sulfur. The depleted, minor flow portion of salt is passed again into contact with the fuel gas for further sulfur removal from the gas. The sulfur depleted, fuel gas then flows through a solid absorbent for removal of salt droplets. The minor flow portion of the molten salt is then recombined with the major flow portion for feed to the venturi.

Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest

NARCIS (Netherlands)

Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.J.J.; Adahchour, M.; Hyotylainen, T.

2006-01-01

Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC × GC-TOF-MS) was applied in the identification of organic compounds in atmospheric aerosols from coniferous forest. The samples were collected at Hyytiälä, Finland, as part of the QUEST campaign, in

Origin of melting point depression for rare gas solids confined in carbon pores

International Nuclear Information System (INIS)

Morishige, Kunimitsu; Kataoka, Takaaki

2015-01-01

To obtain insights into the mechanism of the melting-point depression of rare gas solids confined in crystalline carbon pores, we examined the freezing and melting behavior of Xe and Ar confined to the crystalline pores of ordered mesoporous carbons as well as compressed exfoliated graphite compared to the amorphous pores of ordered mesoporous silicas, by means of X-ray diffraction. For the Xe and Ar confined to the crystalline carbon pores, there was no appreciable thermal hysteresis between freezing and melting. Furthermore, the position of the main diffraction peak did not change appreciably on freezing and melting. This strongly suggests that the liquids confined in the carbon pores form a multilayered structure parallel to the smooth walls. For the Xe and Ar confined to the amorphous silica pores, on the other hand, the position of the main diffraction peak shifted into higher scattering angle on freezing suggested that the density of the confined solid is distinctly larger than for the confined liquid. Using compressed exfoliated graphite with carbon walls of higher crystallinity, we observed that three-dimensional (3D) microcrystals of Xe confined in the slit-shaped pores melted to leave the unmelted bilayers on the pore walls below the bulk triple point. The lattice spacing of the 3D microcrystals confined is larger by ∼0.7% than that of the bilayer next to the pore walls in the vicinity of the melting point

Origin of melting point depression for rare gas solids confined in carbon pores

Energy Technology Data Exchange (ETDEWEB)

Morishige, Kunimitsu, E-mail: morishi@chem.ous.ac.jp; Kataoka, Takaaki [Department of Chemistry, Okayama University of Science, 1-1 Ridai-cho, Kita-ku, Okayama 700-0005 (Japan)

2015-07-21

To obtain insights into the mechanism of the melting-point depression of rare gas solids confined in crystalline carbon pores, we examined the freezing and melting behavior of Xe and Ar confined to the crystalline pores of ordered mesoporous carbons as well as compressed exfoliated graphite compared to the amorphous pores of ordered mesoporous silicas, by means of X-ray diffraction. For the Xe and Ar confined to the crystalline carbon pores, there was no appreciable thermal hysteresis between freezing and melting. Furthermore, the position of the main diffraction peak did not change appreciably on freezing and melting. This strongly suggests that the liquids confined in the carbon pores form a multilayered structure parallel to the smooth walls. For the Xe and Ar confined to the amorphous silica pores, on the other hand, the position of the main diffraction peak shifted into higher scattering angle on freezing suggested that the density of the confined solid is distinctly larger than for the confined liquid. Using compressed exfoliated graphite with carbon walls of higher crystallinity, we observed that three-dimensional (3D) microcrystals of Xe confined in the slit-shaped pores melted to leave the unmelted bilayers on the pore walls below the bulk triple point. The lattice spacing of the 3D microcrystals confined is larger by ∼0.7% than that of the bilayer next to the pore walls in the vicinity of the melting point.

Synthesis and characterization of volatile technetium compound

International Nuclear Information System (INIS)

Childs, Bradley C.; Poineau, Frederic; Czerwinski, Ken R.

2013-01-01

Technetium-99 is an important fission (T 1/2 = 2.13.105 y) product of the nuclear industry. Technetium in its highest oxidation state (VII) is highly mobile and can represent a threat to the environment. There are over 55 million gallons of high level mixed waste located at the Hanford site. Waste tanks at the Hanford site contain Tc that could potentially leak, and in the context of management of technetium, a glass waste form was proposed to counteract the issue. In the process of synthesizing melt glass between the temperatures of 600°C and 1100°C, volatile technetium compounds were observed in the reaction tube. These compounds displayed characteristic colors based upon the reaction environments of either breathing air or nitrogen gas. A breathing air atmosphere produces a red compound that adheres to the walls of the reaction tube. An atmosphere of nitrogen gas produces a white compound that was observed on the walls of the reaction tube. (author)

A comparative study of three tissue-cultured Dendrobium species and their wild correspondences by headspace gas chromatography-mass spectrometry combined with chemometric methods.

Science.gov (United States)

Chen, Nai-Dong; You, Tao; Li, Jun; Bai, Li-Tao; Hao, Jing-Wen; Xu, Xiao-Yuan

2016-10-01

Plant tissue culture technique is widely used in the conservation and utilization of rare and endangered medicinal plants and it is crucial for tissue culture stocks to obtain the ability to produce similar bioactive components as their wild correspondences. In this paper, a headspace gas chromatography-mass spectrometry method combined with chemometric methods was applied to analyze and evaluate the volatile compounds in tissue-cultured and wild Dendrobium huoshanense Cheng and Tang, Dendrobium officinale Kimura et Migo and Dendrobium moniliforme (Linn.) Sw. In total, 63 volatile compounds were separated, with 53 being identified from the three Dendrobium spp. Different provenances of Dendrobiums had characteristic chemicals and showed remarkable quantity discrepancy of common compositions. The similarity evaluation disclosed that the accumulation of volatile compounds in Dendrobium samples might be affected by their provenance. Principal component analysis showed that the first three components explained 85.9% of data variance, demonstrating a good discrimination between samples. Gas chromatography-mass spectrometry techniques, combined with chemometrics, might be an effective strategy for identifying the species and their provenance, especially in the assessment of tissue-cultured Dendrobium quality for use in raw herbal medicines. Copyright © 2016. Published by Elsevier B.V.

Request for Correction 12003 Greenhouse Gas Emissions Reporting from the Petroleum and Natural Gas Industry

Science.gov (United States)

Request for Correction by the U.S. Chamber of Commerce for information in Greenhouse Gas Emissions Reporting from the Petroleum Gas Industry that regarding methane emissions, volatile organic compounds, and hazardous air pollutants.

Preliminary studies of using preheated carrier gas for on-line membrane extraction of semivolatile organic compounds.

Science.gov (United States)

Liu, Xinyu; Pawliszyn, Janusz

2007-04-01

In this paper, we present results for the on-line determination of semivolatile organic compounds (SVOCs) in air using membrane extraction with a sorbent interface-ion mobility spectrometry (MESI-IMS) system with a preheated carrier (stripping) gas. The mechanism of the mass transfer of SVOCs across a membrane was initially studied. In comparison with the extraction of volatile analytes, the mass transfer resistance that originated from the slow desorption from the internal membrane surface during the SVOC extraction processes should be taken into account. A preheated carrier gas system was therefore built to facilitate desorption of analytes from the internal membrane surface. With the benefit of a temperature gradient existing between the internal and external membrane surfaces, an increase in the desorption rate of a specific analyte at the internal surface and the diffusion coefficient within the membrane could be achieved while avoiding a decrease of the distribution constant on the external membrane interface. This technique improved both the extraction rate and response times of the MESI-IMS system for the analysis of SVOCs. Finally, the MESI-IMS system was shown to be capable of on-site measurement by monitoring selected polynuclear aromatic hydrocarbons emitted from cigarette smoke.

Smart multi-channel two-dimensional micro-gas chromatography for rapid workplace hazardous volatile organic compounds measurement.

Science.gov (United States)

Liu, Jing; Seo, Jung Hwan; Li, Yubo; Chen, Di; Kurabayashi, Katsuo; Fan, Xudong

2013-03-07

We developed a novel smart multi-channel two-dimensional (2-D) micro-gas chromatography (μGC) architecture that shows promise to significantly improve 2-D μGC performance. In the smart μGC design, a non-destructive on-column gas detector and a flow routing system are installed between the first dimensional separation column and multiple second dimensional separation columns. The effluent from the first dimensional column is monitored in real-time and decision is then made to route the effluent to one of the second dimensional columns for further separation. As compared to the conventional 2-D μGC, the greatest benefit of the smart multi-channel 2-D μGC architecture is the enhanced separation capability of the second dimensional column and hence the overall 2-D GC performance. All the second dimensional columns are independent of each other, and their coating, length, flow rate and temperature can be customized for best separation results. In particular, there is no more constraint on the upper limit of the second dimensional column length and separation time in our architecture. Such flexibility is critical when long second dimensional separation is needed for optimal gas analysis. In addition, the smart μGC is advantageous in terms of elimination of the power intensive thermal modulator, higher peak amplitude enhancement, simplified 2-D chromatogram re-construction and potential scalability to higher dimensional separation. In this paper, we first constructed a complete smart 1 × 2 channel 2-D μGC system, along with an algorithm for automated control/operation of the system. We then characterized and optimized this μGC system, and finally employed it in two important applications that highlight its uniqueness and advantages, i.e., analysis of 31 workplace hazardous volatile organic compounds, and rapid detection and identification of target gas analytes from interference background.

THE DETERMINATION OF NON-PESTICIDAL AND PESTICIDAL ORGANOTIN COMPOUNDS IN WATER BY GAS CHROMATOGRAPHY WITH [PULSED] FLAME PHOTOMETRIC DETECTION (GS/PFPD): THE EFFECTS OF "MASS" DISCRIMINATION

Science.gov (United States)

Capillary gas chromatography with GC/PFPD was used in the development of analytical methodology for determining both non-pesticidal and pesticidal organotin compounds in drinking water and other aqueous matrices. The method involves aqueous ethylation of organotin analytes with ...

Simple and double two-colour photoionization of rare gas atoms

International Nuclear Information System (INIS)

Guyetand, O.

2008-05-01

The present work deals with simple and double ionization of rare gases by harmonic radiation produced by, and combined with, an intense femtosecond infrared laser. Technical aspects related to the use of harmonic generation and to the detection of ions and electrons in coincidence are exposed. Theoretical background for two colour, few-photon, single and double ionization is detailed. Spectra and angular distributions of the photoelectrons measured in helium are described and compared with TDSE (time-dependent Schroedinger equation) theoretical calculations, for various conditions of the harmonic photons. The shape of the angular distributions can be explained within the frame of two distinct analytic approaches: the perturbation theory and the soft-photon approximation. The double ionization measurements have been performed on xenon, a complex atom characterized by many possible routes leading to double ionization. The analysis of energy and angular correlations of the two photoelectrons proves the feasibility of such experiments that combines harmonic and infrared radiations. It shows that two step processes are dominant in the case of xenon. This work appeals for extending few-photon, double ionization experiments to lighter rare gases. (author)

Isotopic studies of rare gases in terrestrial samples and in natural nucleosynthesis

International Nuclear Information System (INIS)

Reynolds, J.H.

1988-08-01

This project is concerned with research in rare gas mass spectrometry. The broad objective is to read the natural record that isotopes of the rare gases comprise as trace constituents of natural gases, rocks, and meteorites. In past years, these interests have led to the study of such diverse problems as the dating of rocks, the early chronology and isotopic structure of the solar system as revealed by extinct radioactivities, and the elemental and isotopic composition of trapped primordial rare gases in meteorites. In recent years, the project has focused progressively more on terrestrial problems

Isotopic studies of rare gases in terrestrial samples and in natural nucleosynthesis

International Nuclear Information System (INIS)

1987-07-01

This project is concerned with research in rare gas mass spectrometry. The broad objective is to read the natural record that isotopes of the rare gases comprise as trace constituents of natural gases, rocks, and meteorites. In past years, these interests have led to the study of such diverse problems as the dating of rocks, the early chronology and isotopic structure of the solar system as revealed by extinct radioactivities, and the elemental and isotopic composition of trapped primordial rare gases in meteorites. In recent years, the project has focused progressively more on terrestrial problems

Analysis of volatile compounds of Malaysian Tualang ( Koompassia ...

African Journals Online (AJOL)

Analysis of volatile compounds of Malaysian Tualang ( Koompassia excelsa ) honey using gas chromatography mass spectrometry. ... Other classes of chemical compounds detected included acids, aldehydes, alcohols, ketones, terpenes, furans and a miscellaneous group. Methanol yielded the highest number of extracted ...

Air-stable compact of cobalt-rare earth alloy particles and method

International Nuclear Information System (INIS)

Smeggil, J.C.; Charles, R.J.

1975-01-01

A process is described for producing novel air-stable magnetic products. An organometallic compound which decomposes at a temperature below 500 0 C is mixed with particles of a transition metal-rare earth alloy. The resulting mixture is pressed to form a green body, which is then heated to decompose the organometallic compound to produce a metal vapor that deposits an interconnecting metal coating on the exposed surfaces of the pressed particles. (U.S.)

Influence of rare earth holmium on the properties of lead iodide