The properties of gas-phase multiply charged ions

International Nuclear Information System (INIS)

Newson, K.A.

1999-01-01

This thesis presents the results of a series of experiments investigating the reactivity of gas-phase molecular dications with various neutral collision partners, at collision energies between 3 and 13 eV in the laboratory frame, using a crossed-beam apparatus. The experiment involves the measurement of product ion intensities, which are determined by means of time-of-flight mass spectrometry. The experimental apparatus and methodology, together with the areas of theory important to ion chemistry, are described in the thesis. The product ions of greatest interest are those ions formed by bond-forming (chemical) reactivity. The relative intensities of such product ions, and those ions formed as a result of electron-transfer reactions, are, when recorded as a function of the collision energy, a powerful probe of the reaction mechanism. Additionally, where appropriate, the reactions are examined for isotope effects by using the isotopic analogue of the neutral collision partner. The results of the experiments indicate that no intermolecular isotope effects are present in the reactions of CF 2 2+ and CF 3 2+ with H 2 and D 2 neutral targets. In addition, the observed collision energy dependence is symptomatic of the absence of a barrier to reaction. These observations suggest that the reactions proceed via an impulsive direct reaction mechanism. Such a conclusion casts doubt on the applicability of the Landau-Zener model of H - /D - transfer reactivity. Other results presented in this thesis include the first reported observation of a bond-forming reaction between a molecular dication (CF2 2+ ) and a polyatomic neutral species (NH 3 ). Finally, the branching ratio of the products of bond-forming reactions between CF 2 2+ with HD indicates the operation of a strong intramolecular isotope effect, favouring the formation of the deuterated product. This observation points to a reaction mechanism in which the bond-formation is preceded by electron-transfer. (author)

A tetrapositive metal ion in the gas phase: Thorium(IV) coordinated by neutral tridentate ligands

International Nuclear Information System (INIS)

Gong, Yu; Tian, Guoxin; Rao, Linfeng; Gibson, John K.; Hu, Han-Shi; Li, Jun

2013-01-01

Sheltering thorium ions: A Th 4+ ion supported by three neutral tetramethyl-3-oxaglutaramide ligands (L=TMOGA) is produced in the gas phase by electrospray ionization. The thorium in chiral Th(L) 3 4+ is coordinated by nine oxygen atoms. Quantum chemical studies revealed a decrease in Th-O binding energies and bond orders and an increase in bond lengths, as the number of coordinating ligands increases. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

A tetrapositive metal ion in the gas phase: Thorium(IV) coordinated by neutral tridentate ligands

Energy Technology Data Exchange (ETDEWEB)

Gong, Yu; Tian, Guoxin; Rao, Linfeng; Gibson, John K. [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Hu, Han-Shi [Department of Chemistry and Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China); Li, Jun [Department of Chemistry and Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China); William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory (United States)

2013-07-01

Sheltering thorium ions: A Th{sup 4+} ion supported by three neutral tetramethyl-3-oxaglutaramide ligands (L=TMOGA) is produced in the gas phase by electrospray ionization. The thorium in chiral Th(L){sub 3}{sup 4+} is coordinated by nine oxygen atoms. Quantum chemical studies revealed a decrease in Th-O binding energies and bond orders and an increase in bond lengths, as the number of coordinating ligands increases. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Reactions of metal ions and their clusters in the gas phase using laser ionization: ion cyclotron resonance spectroscopy

International Nuclear Information System (INIS)

Freiser, B.S.

1981-04-01

Two subjects are discussed in this report: advances in proposed studies on metal ion chemistry and expansion of laboratory facilities. The development of a combined pulsed laser source-ion cyclotron resonance spectrometer has proven to be a convenient and powerful method for generating metal ions and for studying their subsequent chemistry in the gas phase. The main emphasis of this research has been on the application of metal ions as a selective chemical ionization reagents and progress in this area are discussed. The goal is to identify trends in reactivity i.e. mechanisms useful in interpreting the chemical ionization spectra of unknown compounds and to test for the functional group selectivity of the various metal ions. The feasibility of these goals have been demonstrated in extensive studies on Cu + with esters and ketones, on Fe + with ethers, ketones, and hydrocarbons, and on Ti + with hydrocarbons. In addition, preliminary results on sulfur containing compounds and on a variety of other metallic ions have been obtained. Laboratory facilities were expanded from one ion cyclotron resonance (ICR) spectrometer to two, plus a third instrument the Fourier Transform Ion Cyclotron Resonance (FTICR) spectrometer

Probing peptide fragment ion structures by combining sustained off-resonance collision-induced dissociation and gas-phase H/D exchange (SORI-HDX) in Fourier transform ion-cyclotron resonance (FT-ICR) instruments.

Science.gov (United States)

Somogyi, Arpád

2008-12-01

The usefulness of gas-phase H/D exchange is demonstrated to probe heterogeneous fragment and parent ion populations. Singly and multiply protonated peptides/proteins were fragmented by using sustained off-resonance irradiation collision-induced dissociation (SORI-CID). The fragments and the surviving precursor ions then all undergo H/D exchange in the gas-phase with either D(2)O or CD(3)OD under the same experimental conditions. Usually, 10 to 60 s of reaction time is adequate to monitor characteristic differences in the H/D exchange kinetic rates. These differences are then correlated to isomeric ion structures. The SORI-HDX method can be used to rapidly test fragment ion structures and provides useful insights into peptide fragmentation mechanisms.

Optimization of phase analysis of refractory alloys in the gas-ion-reaction chamber

International Nuclear Information System (INIS)

Blumenkamp, H.J.; Hoven, H.; Koizlik, K.; Nickel, H.

1980-04-01

Reactor components outside the core which are under high thermal and mechanical stresses are made from refractory alloys. For basic research and for quality control, these materials are investigated by metallography, which is an independent group of characterization procedures as well as basis for many other methods. An important way of increasing the information about a material yielded by metallography is the expansions of phase contrast, in particular the phase contrasting in the gas-ion-reaction chamber. In this paper, the experimental procedure is described and the process of optimizing the procedure with respect to the Ni- and Fe-based refractory alloys examined in the IRW is discussed. (orig.) [de

Gas-Phase Reactivity of Microsolvated Anions

DEFF Research Database (Denmark)

Thomsen, Ditte Linde

the gas-phase α-effect. The experimental studies are performed by means of the flowing after glow selected ion flow tube technique, and these are supplemented by electronic structure calculations. The α-nucleophile employed is the microsolvated hydrogen peroxide anion whose reactivity is compared......Gas-phase studies of ion-molecule reactions shed light on the intrinsic factors that govern reactivity; and even solvent effects can be examined in the gasphase environment by employing microsolvated ions. An area that has received considerable attention with regard to the interplay between...... to that of a series of microsolvated oxygen centered anions. The association of the nucleophiles with a single water or methanol molecule allows the α-effect to be observed in the SN2 reaction with methyl chloride; this effect was not apparent in the reactions of the unsolvated anions. The results suggest...

GAS-PHASE CHEMISTRY OF THE CYANATE ION, OCN{sup −}

Energy Technology Data Exchange (ETDEWEB)

Cole, Callie A.; Wang, Zhe-Chen; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, 215 UCB, University of Colorado, Boulder, CO 80309 (United States); Snow, Theodore P. [Center for Astrophysics and Space Astronomy, 389 UCB, University of Colorado, Boulder, CO 80309 (United States)

2015-10-10

Cyanate (OCN{sup −}) is the only ion to date whose presence has been confirmed in the icy mantles that coat interstellar dust grains. Understanding the chemical behavior of cyanate at a fundamental level is therefore integral to the advancement of astrochemistry. We seek to unravel the chemistry of this intriguing anion through a combination of gas-phase experiments and theoretical explorations. Our approach is twofold: first, employing a flowing afterglow-selected ion flow tube apparatus, the reactions between OCN{sup −} and three of the most abundant atomic species in the interstellar medium, hydrogen, nitrogen, and oxygen, are examined. Hydrogen atoms readily react by associative detachment, but the remarkable stability of OCN{sup −} does not give rise to an observable reaction with either nitrogen or oxygen atoms. To explain these results, the potential energy surfaces of several reactions are investigated at the B3LYP/6-311++G(d,p) level of theory. Second, collision induced dissociation experiments involving deprotonated uracil, thymine, and cytosine in an ion trap mass spectrometer reveal an interesting connection between these pyrimidine nucleobase anions and OCN{sup −}. Theoretical calculations at the B3LYP/6-311++G(d,p) level of theory are performed to delineate the mechanisms of dissociation and explore the possible role of OCN{sup −} as a biomolecule precursor.

Fischer Indole Synthesis in the Gas Phase, the Solution Phase, and at the Electrospray Droplet Interface.

Science.gov (United States)

Bain, Ryan M; Ayrton, Stephen T; Cooks, R Graham

2017-07-01

Previous reports have shown that reactions occurring in the microdroplets formed during electrospray ionization can, under the right conditions, exhibit significantly greater rates than the corresponding bulk solution-phase reactions. The observed acceleration under electrospray ionization could result from a solution-phase, a gas-phase, or an interfacial reaction. This study shows that a gas-phase ion/molecule (or ion/ion) reaction is not responsible for the observed rate enhancement in the particular case of the Fischer indole synthesis. The results show that the accelerated reaction proceeds in the microdroplets, and evidence is provided that an interfacial process is involved. Graphical Abstract GRAPHICAL ABSTRACT TEXT HERE] -->.

Measuring Gas-Phase Basicities of Amino Acids Using an Ion Trap Mass Spectrometer: A Physical Chemistry Laboratory Experiment

Science.gov (United States)

Sunderlin, Lee S.; Ryzhov, Victor; Keller, Lanea M. M.; Gaillard, Elizabeth R.

2005-01-01

An experiment is performed to measure the relative gas-phase basicities of a series of five amino acids to compare the results to literature values. The experiments use the kinetic method for deriving ion thermochemistry and allow students to perform accurate measurements of thermodynamics in a relatively short time.

Reactivity and selectivity of the electrophile aromatic substitution in the gas phase by positive 80Br and 125I decay ions

International Nuclear Information System (INIS)

Knust, E.J.

1975-02-01

The nuclear isomeric transition sup(80m)Br(IT) 80 Br or the electron capture decay 125 Xe(EC) 125 I in the presence of high concentrations of a noble gas such as Ar or Xe are suitable for the study of the electrophilic substitution of bromium or iodonium ions in the gas phase. By using this nuclear method, which, unlike physical methods, also allows the determination of the isomer distribution, the electrophilic aromatic bromation and iodation of mono-substituted benzene compounds through unsolvated positive bromine or iodine ions could be investigated for the first time using radio-gas chromatographic techniques. (orig./LH) [de

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.

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.

Photodissociative Cross-Linking of Non-covalent Peptide-Peptide Ion Complexes in the Gas Phase

Science.gov (United States)

Nguyen, Huong T. H.; Andrikopoulos, Prokopis C.; Rulíšek, Lubomír; Shaffer, Christopher J.; Tureček, František

2018-05-01

We report a gas-phase UV photodissociation study investigating non-covalent interactions between neutral hydrophobic pentapeptides and peptide ions incorporating a diazirine-tagged photoleucine residue. Phenylalanine (Phe) and proline (Pro) were chosen as the conformation-affecting residues that were incorporated into a small library of neutral pentapeptides. Gas-phase ion-molecule complexes of these peptides with photo-labeled pentapeptides were subjected to photodissociation. Selective photocleavage of the diazirine ring at 355 nm formed short-lived carbene intermediates that underwent cross-linking by insertion into H-X bonds of the target peptide. The cross-link positions were established from collision-induced dissociation tandem mass spectra (CID-MS3) providing sequence information on the covalent adducts. Effects of the amino acid residue (Pro or Phe) and its position in the target peptide sequence were evaluated. For proline-containing peptides, interactions resulting in covalent cross-links in these complexes became more prominent as proline was moved towards the C-terminus of the target peptide sequence. The photocross-linking yields of phenylalanine-containing peptides depended on the position of both phenylalanine and photoleucine. Density functional theory calculations were used to assign structures of low-energy conformers of the (GLPMG + GLL*LK + H)+ complex. Born-Oppenheimer molecular dynamics trajectory calculations were used to capture the thermal motion in the complexes within 100 ps and determine close contacts between the incipient carbene and the H-X bonds in the target peptide. This provided atomic-level resolution of potential cross-links that aided spectra interpretation and was in agreement with experimental data. [Figure not available: see fulltext.

Gas-ion laser with gas pressure maintenance means

International Nuclear Information System (INIS)

Thatcher, J.B.

1975-01-01

A gas-ion laser is described including means to maintain the ionizable gas in the laser cavity at a rather constant pressure over an extended period of time to significantly increase the useful life of the gas-ion laser. The gas laser includes a gas makeup system having a high pressure source or storage container and a regulating valve. The valve has a permeable solid state orifice member through which the gas flows from the high pressure source to the laser cavity to replenish the gas in the laser cavity and maintain the gas pressure in the cavity rather constant. The permeable orifice member is selected from a solid state material having a permeability that is variable in relation to the magnitude of the energy applied to the orifice member. The gas-ion laser has a valve operating means such as a heater for varying the applied energy such as thermal energy to the member to regulate the gas flow. Additionally, the gas-ion laser has a valve control means that is responsive to the gas pressure in the laser cavity for controlling the valve control means to maintain the pressure at a desired level. (U.S.)

Simulation of ion beam scattering in a gas stripper

Energy Technology Data Exchange (ETDEWEB)

Maxeiner, Sascha, E-mail: maxeiner@phys.ethz.ch; Suter, Martin; Christl, Marcus; Synal, Hans-Arno

2015-10-15

Ion beam scattering in the gas stripper of an accelerator mass spectrometer (AMS) enlarges the beam phase space and broadens its energy distribution. As the size of the injected beam depends on the acceleration voltage through phase space compression, the stripper becomes a limiting factor of the overall system transmission especially for low energy AMS system in the sub MV region. The spatial beam broadening and collisions with the accelerator tube walls are a possible source for machine background and energy loss fluctuations influence the mass resolution and thus isotope separation. To investigate the physical processes responsible for these effects, a computer simulation approach was chosen. Monte Carlo simulation methods are applied to simulate elastic two body scattering processes in screened Coulomb potentials in a (gas) stripper and formulas are derived to correctly determine random collision parameters and free path lengths for arbitrary (and non-homogeneous) gas densities. A simple parametric form for the underlying scattering cross sections is discussed which features important scaling behaviors. An implementation of the simulation was able to correctly model the data gained with the TANDY AMS system at ETH Zurich. The experiment covered transmission measurements of uranium ions in helium and beam profile measurements after the ion beam passed through the He-stripper. Beam profiles measured up to very high stripper densities could be understood in full system simulations including the relevant ion optics. The presented model therefore simulates the fundamental physics of the interaction between an ion beam and a gas stripper reliably. It provides a powerful and flexible tool for optimizing existing AMS stripper geometries and for designing new, state of the art low energy AMS systems.

Radical Reactions in the Gas Phase: Recent Development and Application in Biomolecules

Directory of Open Access Journals (Sweden)

Yang Gao

2014-01-01

Full Text Available This review summarizes recent literature describing the use of gas phase radical reactions for structural characterization of complex biomolecules other than peptides. Specifically, chemical derivatization, in-source chemical reaction, and gas phase ion/ion reactions have been demonstrated as effective ways to generate radical precursor ions that yield structural informative fragments complementary to those from conventional collision-induced dissociation (CID. Radical driven dissociation has been applied to a variety of biomolecules including peptides, nucleic acids, carbohydrates, and phospholipids. The majority of the molecules discussed in this review see limited fragmentation from conventional CID, and the gas phase radical reactions open up completely new dissociation channels for these molecules and therefore yield high fidelity confirmation of the structures of the target molecules. Due to the extensively studied peptide fragmentation, this review focuses only on nonpeptide biomolecules such as nucleic acids, carbohydrates, and phospholipids.

Infrared Spectroscopy of Gas-Phase M+(CO2)n (M = Co, Rh, Ir) Ion-Molecule Complexes.

Science.gov (United States)

Iskra, Andreas; Gentleman, Alexander S; Kartouzian, Aras; Kent, Michael J; Sharp, Alastair P; Mackenzie, Stuart R

2017-01-12

The structures of gas-phase M + (CO 2 ) n (M = Co, Rh, Ir; n = 2-15) ion-molecule complexes have been investigated using a combination of infrared resonance-enhanced photodissociation (IR-REPD) spectroscopy and density functional theory. The results provide insight into fundamental metal ion-CO 2 interactions, highlighting the trends with increasing ligand number and with different group 9 ions. Spectra have been recorded in the region of the CO 2 asymmetric stretch around 2350 cm -1 using the inert messenger technique and their interpretation has been aided by comparison with simulated infrared spectra of calculated low-energy isomeric structures. All vibrational bands in the smaller complexes are blue-shifted relative to the asymmetric stretch in free CO 2 , consistent with direct binding to the metal center dominated by charge-quadrupole interactions. For all three metal ions, a core [M + (CO 2 ) 2 ] structure is identified to which subsequent ligands are less strongly bound. No evidence is observed in this size regime for complete activation or insertion reactions.

The Gas-Phase Formation of Methyl Formate in Hot Molecular Cores

Science.gov (United States)

Horn, Anne; Møllendal, Harald; Sekiguchi, Osamu; Uggerud, Einar; Roberts, Helen; Herbst, Eric; Viggiano, A. A.; Fridgen, Travis D.

2004-08-01

Methyl formate, HCOOCH3, is a well-known interstellar molecule prominent in the spectra of hot molecular cores. The current view of its formation is that it occurs in the gas phase from precursor methanol, which is synthesized on the surfaces of grain mantles during a previous colder era and evaporates while temperatures increase during the process of high-mass star formation. The specific reaction sequence thought to form methyl formate, the ion-molecule reaction between protonated methanol and formaldehyde followed by dissociative recombination of the protonated ion [HCO(H)OCH3]+, has not been studied in detail in the laboratory. We present here the results of both a quantum chemical study of the ion-molecule reaction between [CH3OH2]+ and H2CO as well as new experimental work on the system. In addition, we report theoretical and experimental studies for a variety of other possible gas-phase reactions leading to ion precursors of methyl formate. The studied chemical processes leading to methyl formate are included in a chemical model of hot cores. Our results show that none of these gas-phase processes produces enough methyl formate to explain its observed abundance.

The Ultrafast Wolff Rearrangement in the Gas Phase

Science.gov (United States)

Steinbacher, Andreas; Roeding, Sebastian; Brixner, Tobias; Nuernberger, Patrick

The Wolff rearrangement of gas-phase 5-diazo Meldrum's acid is disclosed with femtosecond ion spectroscopy. Distinct differences are found for 267 nm and 200 nm excitation, the latter leading to even two ultrafast rearrangement reactions.

Collision cross section calculations for polyatomic ions considering rotating diatomic/linear gas molecules

International Nuclear Information System (INIS)

Larriba-Andaluz, Carlos; Hogan, Christopher J.

2014-01-01

Structural characterization of ions in the gas phase is facilitated by measurement of ion collision cross sections (CCS) using techniques such as ion mobility spectrometry. Further information is gained from CCS measurement when comparison is made between measurements and accurately predicted CCSs for model ion structures and the gas in which measurements are made. While diatomic gases, namely molecular nitrogen and air, are being used in CCS measurement with increasingly prevalency, the majority of studies in which measurements are compared to predictions use models in which gas molecules are spherical or non-rotating, which is not necessarily appropriate for diatomic gases. Here, we adapt a momentum transfer based CCS calculation approach to consider rotating, diatomic gas molecule collisions with polyatomic ions, and compare CCS predictions with a diatomic gas molecule to those made with a spherical gas molecular for model spherical ions, tetra-alkylammonium ions, and multiply charged polyethylene glycol ions. CCS calculations are performed using both specular-elastic and diffuse-inelastic collisions rules, which mimic negligible internal energy exchange and complete thermal accommodation, respectively, between gas molecule and ion. The influence of the long range ion-induced dipole potential on calculations is also examined with both gas molecule models. In large part we find that CCSs calculated with specular-elastic collision rules decrease, while they increase with diffuse-inelastic collision rules when using diatomic gas molecules. Results clearly show the structural model of both the ion and gas molecule, the potential energy field between ion and gas molecule, and finally the modeled degree of kinetic energy exchange between ion and gas molecule internal energy are coupled to one another in CCS calculations, and must be considered carefully to obtain results which agree with measurements

Simple setup for gas-phase h/d exchange mass spectrometry coupled to electron transfer dissociation and ion mobility for analysis of polypeptide structure on a liquid chromatographic time scale

DEFF Research Database (Denmark)

Mistarz, Ulrik Hvid; Brown, Jeffery M; Haselmann, Kim F

2014-01-01

gas immediately upstream or downstream of the primary skimmer cone. The approach was implemented on three commercially available mass spectrometers and required no or minor fully reversible reconfiguration of gas-inlets of the ion source. Results from gas-phase HDX-MS of peptides using the aqueous ND3....../D2O as HDX reagent indicate that labeling is facilitated exclusively through gaseous ND3, yielding similar results to the infusion of purified ND3-gas, while circumventing the complications associated with the use of hazardous purified gases. Comparison of the solution-phase- and gas-phase deuterium...

Simple setup for gas-phase H/D exchange mass spectrometry coupled to electron transfer dissociation and ion mobility for analysis of polypeptide structure on a liquid chromatographic time scale.

Science.gov (United States)

Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F; Rand, Kasper D

2014-12-02

Gas-phase hydrogen/deuterium exchange (HDX) is a fast and sensitive, yet unharnessed analytical approach for providing information on the structural properties of biomolecules, in a complementary manner to mass analysis. Here, we describe a simple setup for ND3-mediated millisecond gas-phase HDX inside a mass spectrometer immediately after ESI (gas-phase HDX-MS) and show utility for studying the primary and higher-order structure of peptides and proteins. HDX was achieved by passing N2-gas through a container filled with aqueous deuterated ammonia reagent (ND3/D2O) and admitting the saturated gas immediately upstream or downstream of the primary skimmer cone. The approach was implemented on three commercially available mass spectrometers and required no or minor fully reversible reconfiguration of gas-inlets of the ion source. Results from gas-phase HDX-MS of peptides using the aqueous ND3/D2O as HDX reagent indicate that labeling is facilitated exclusively through gaseous ND3, yielding similar results to the infusion of purified ND3-gas, while circumventing the complications associated with the use of hazardous purified gases. Comparison of the solution-phase- and gas-phase deuterium uptake of Leu-Enkephalin and Glu-Fibrinopeptide B, confirmed that this gas-phase HDX-MS approach allows for labeling of sites (heteroatom-bound non-amide hydrogens located on side-chains, N-terminus and C-terminus) not accessed by classical solution-phase HDX-MS. The simple setup is compatible with liquid chromatography and a chip-based automated nanoESI interface, allowing for online gas-phase HDX-MS analysis of peptides and proteins separated on a liquid chromatographic time scale at increased throughput. Furthermore, online gas-phase HDX-MS could be performed in tandem with ion mobility separation or electron transfer dissociation, thus enabling multiple orthogonal analyses of the structural properties of peptides and proteins in a single automated LC-MS workflow.

Gas-phase ion-molecular reactions of free ethylsilylic ions with ethylene

International Nuclear Information System (INIS)

Shchukin, E.V.; Kochina, T.A.; Sinotova, E.N.; Ignat'ev, I.S.

2001-01-01

Interaction of ethylsilylic ions, resulting from β-decay of tritium compounds, with ethylene in gaseous phase was studied by radiochemical method. The interaction occurs via formation of excited adduct C 4 H 11 Si + , its structure presenting a complex of ethylsilylic cation and ethylene. In the course of the complex lifetime isotopic exchange between the cation tritium atoms and proton of ethylene takes place along with isomerization of ethylsilylic cation into dimethylsilylic one. Decomposition of the complex gives rise largely to labeled ethylene formation [ru

Photoisomerization action spectroscopy of the carbocyanine dye DTC+ in the gas phase.

Science.gov (United States)

Adamson, Brian D; Coughlan, Neville J A; da Silva, Gabriel; Bieske, Evan J

2013-12-19

Molecular photoisomerization plays a crucial role in diverse biological and technological contexts. Here, we combine ion mobility spectrometry and laser spectroscopy to characterize the photoisomerization of molecular cations in the gas phase. The target molecular ions, polymethine dye cations 3,3'-diethylthiacarbocyanine (DTC(+)), are propelled through helium buffer gas by an electric field and are photoisomerized by light from a tunable laser. Photoexcitation over the 450-570 nm range converts trans-DTC(+) to cis-DTC(+), noticeably modifying the ions' arrival time distribution. The photoisomerization action spectrum, which has a maximum at 535 nm, resembles the absorption spectrum of DTC(+) in solution but is shifted 25 nm to shorter wavelength. Comparisons between measured and calculated mobilities suggest that the photoisomer involves a twist about the second C-C bond in the methine chain (8,9-cis isomer) rather than a twist about the first methine C-C bond (2,8-cis isomer). It is postulated that the excited gas-phase ions internally convert from the S1 Franck-Condon region to the S0 manifold and explore the conformational landscape as they cool through He buffer gas collisions. Master equation simulations of the relaxation process in the S0 manifold suggest that the 8,9-cis isomer is preferred over the 2,8-cis isomer because it lies lower in energy and because it is separated from the trans isomer by a substantially higher barrier. The study demonstrates that the photoisomerization of molecular ions can be probed selectively in the gas phase, providing insights into photoisomerization mechanisms and information on the solvent-free absorption spectrum.

An accurate cost effective DFT approach to study the sensing behaviour of polypyrrole towards nitrate ions in gas and aqueous phases.

Science.gov (United States)

Wasim, Fatima; Mahmood, Tariq; Ayub, Khurshid

2016-07-28

Density functional theory (DFT) calculations have been performed to study the response of polypyrrole towards nitrate ions in gas and aqueous phases. First, an accurate estimate of interaction energies is obtained by methods calibrated against the gold standard CCSD(T) method. Then, a number of low cost DFT methods are also evaluated for their ability to accurately estimate the binding energies of polymer-nitrate complexes. The low cost methods evaluated here include dispersion corrected potential (DCP), Grimme's D3 correction, counterpoise correction of the B3LYP method, and Minnesota functionals (M05-2X). The interaction energies calculated using the counterpoise (CP) correction and DCP methods at the B3LYP level are in better agreement with the interaction energies calculated using the calibrated methods. The interaction energies of an infinite polymer (polypyrrole) with nitrate ions are calculated by a variety of low cost methods in order to find the associated errors. The electronic and spectroscopic properties of polypyrrole oligomers nPy (where n = 1-9) and nPy-NO3(-) complexes are calculated, and then extrapolated for an infinite polymer through a second degree polynomial fit. Charge analysis, frontier molecular orbital (FMO) analysis and density of state studies also reveal the sensing ability of polypyrrole towards nitrate ions. Interaction energies, charge analysis and density of states analyses illustrate that the response of polypyrrole towards nitrate ions is considerably reduced in the aqueous medium (compared to the gas phase).

Using Gas-Phase Guest-Host Chemistry to Probe the Structures of b Ions of Peptides

Science.gov (United States)

Somogyi, Árpád; Harrison, Alex G.; Paizs, Béla

2012-12-01

Middle-sized b n ( n ≥ 5) fragments of protonated peptides undergo selective complex formation with ammonia under experimental conditions typically used to probe hydrogen-deuterium exchange in Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). Other usual peptide fragments like y, a, a*, etc., and small b n ( n ≤ 4) fragments do not form stable ammonia adducts. We propose that complex formation of b n ions with ammonia is characteristic to macrocyclic isomers of these fragments. Experiments on a protonated cyclic peptide and N-terminal acetylated peptides fully support this hypothesis; the protonated cyclic peptide does form ammonia adducts while linear b n ions of acetylated peptides do not undergo complexation. Density functional theory (DFT) calculations on the proton-bound dimers of all-Ala b 4 , b 5 , and b 7 ions and ammonia indicate that the ionizing proton initially located on the peptide fragment transfers to ammonia upon adduct formation. The ammonium ion is then solvated by N+-H…O H-bonds; this stabilization is much stronger for macrocyclic b n isomers due to the stable cage-like structure formed and entropy effects. The present study demonstrates that gas-phase guest-host chemistry can be used to selectively probe structural features (i.e., macrocyclic or linear) of fragments of protonated peptides. Stable ammonia adducts of b 9 , b 9 -A, and b 9 -2A of A8YA, and b 13 of A20YVFL are observed indicating that even these large b-type ions form macrocyclic structures.

Laser spectroscopy of a halocarbocation in the gas phase: CH2I+.

Science.gov (United States)

Tao, Chong; Mukarakate, Calvin; Reid, Scott A

2006-07-26

We report the first gas-phase observation of the electronic spectrum of a simple halocarbocation, CH2I+. The ion was generated rotationally cold (Trot approximately 20 K) using pulsed discharge methods and was detected via laser spectroscopy. The identity of the spectral carrier was confirmed by modeling the rotational contour observed in the excitation spectra and by comparison of ground state vibrational frequencies determined by single vibronic level emission spectroscopy with Density Functional Theory (DFT) predictions. The transition was assigned as 3A1 gas phase should open new avenues for study of the structure and reactivity of these important ions.

Reactive intermediates in the gas phase generation and monitoring

CERN Document Server

Setser, D W

2013-01-01

Reactive Intermediates in the Gas Phase: Generation and Monitoring covers methods for reactive intermediates in the gas phase. The book discusses the generation and measurement of atom and radical concentrations in flow systems; the high temperature flow tubes, generation and measurement of refractory species; and the electronically excited long-lived states of atoms and diatomic molecules in flow systems. The text also describes the production and detection of reactive species with lasers in static systems; the production of small positive ions in a mass spectrometer; and the discharge-excite

Alkylation of nitriles with gaseous carbenium ions. The ritter reaction in the dilute gas state

International Nuclear Information System (INIS)

Cacace, F.; Ciranni, G.; Giacomello, P.

1982-01-01

Radiolytically formed carbenium ions, such as sec-C 3 H 7 + , sec-C 4 H 9 + , and t-C 4 H 9 + , react in the gas phase with model aliphatic and aromatic nitriles yielding the corresponding nitrilium ions. The latter undergo efficient condensation with water that eventually leads to the formation of the corresponding N-alkylamides. The mechanism is analogous to the Ritter reaction in solution. The reactivity and selectivity of the gas-phase electrophilic attack on nitriles has been deduced from competition experiments under conditions that largely exclude the effects of solvation, ion pairing, etc., which complicate the interpretation of solution-chemistry measurements. 1 table

Gas-Phase Hydrogen-Deuterium Exchange Labeling of Select Peptide Ion Conformer Types: a Per-Residue Kinetics Analysis.

Science.gov (United States)

Khakinejad, Mahdiar; Kondalaji, Samaneh Ghassabi; Tafreshian, Amirmahdi; Valentine, Stephen J

2015-07-01

The per-residue, gas-phase hydrogen deuterium exchange (HDX) kinetics for individual amino acid residues on selected ion conformer types of the model peptide KKDDDDDIIKIIK have been examined using ion mobility spectrometry (IMS) and HDX-tandem mass spectrometry (MS/MS) techniques. The [M + 4H](4+) ions exhibit two major conformer types with collision cross sections of 418 Å(2) and 446 Å(2); the [M + 3H](3+) ions also yield two different conformer types having collision cross sections of 340 Å(2) and 367 Å(2). Kinetics plots of HDX for individual amino acid residues reveal fast- and slow-exchanging hydrogens. The contributions of each amino acid residue to the overall conformer type rate constant have been estimated. For this peptide, N- and C-terminal K residues exhibit the greatest contributions for all ion conformer types. Interior D and I residues show decreased contributions. Several charge state trends are observed. On average, the D residues of the [M + 3H](3+) ions show faster HDX rate contributions compared with [M + 4H](4+) ions. In contrast the interior I8 and I9 residues show increased accessibility to exchange for the more elongated [M + 4H](4+) ion conformer type. The contribution of each residue to the overall uptake rate showed a good correlation with a residue hydrogen accessibility score model calculated using a distance from charge site and initial incorporation site for nominal structures obtained from molecular dynamic simulations (MDS).

Protein and Peptide Gas-phase Structure Investigation Using Collision Cross Section Measurements and Hydrogen Deuterium Exchange

Science.gov (United States)

Khakinejad, Mahdiar

Protein and peptide gas-phase structure analysis provides the opportunity to study these species outside of their explicit environment where the interaction network with surrounding molecules makes the analysis difficult [1]. Although gas-phase structure analysis offers a unique opportunity to study the intrinsic behavior of these biomolecules [2-4], proteins and peptides exhibit very low vapor pressures [2]. Peptide and protein ions can be rendered in the gas-phase using electrospray ionization (ESI) [5]. There is a growing body of literature that shows proteins and peptides can maintain solution structures during the process of ESI and these structures can persist for a few hundred milliseconds [6-9]. Techniques for monitoring gas-phase protein and peptide ion structures are categorized as physical probes and chemical probes. Collision cross section (CCS) measurement, being a physical probe, is a powerful method to investigate gas-phase structure size [3, 7, 10-15]; however, CCS values alone do not establish a one to one relation with structure(i.e., the CCS value is an orientationally averaged value [15-18]. Here we propose the utility of gas-phase hydrogen deuterium exchange (HDX) as a second criterion of structure elucidation. The proposed approach incudes extensive MD simulations to sample biomolecular ion conformation space with the production of numerous, random in-silico structures. Subsequently a CCS can be calculated for these structures and theoretical CCS values are compared with experimental values to produce a pool of candidate structures. Utilizing a chemical reaction model based on the gas-phase HDX mechanism, the HDX kinetics behavior of these candidate structures are predicted and compared to experimental results to nominate the best in-silico structures which match (chemically and physically) with experimental observations. For the predictive approach to succeed, an extensive technique and method development is essential. To combine CCS

Precursor Ion Scan Mode-Based Strategy for Fast Screening of Polyether Ionophores by Copper-Induced Gas-Phase Radical Fragmentation Reactions.

Science.gov (United States)

Crevelin, Eduardo J; Possato, Bruna; Lopes, João L C; Lopes, Norberto P; Crotti, Antônio E M

2017-04-04

The potential of copper(II) to induce gas-phase fragmentation reactions in macrotetrolides, a class of polyether ionophores produced by Streptomyces species, was investigated by accurate-mass electrospray tandem mass spectrometry (ESI-MS/MS). Copper(II)/copper(I) transition directly induced production of diagnostic acylium ions with m/z 199, 185, 181, and 167 from α-cleavages of [macrotetrolides + Cu] 2+ . A UPLC-ESI-MS/MS methodology based on the precursor ion scan of these acylium ions was developed and successfully used to identify isodinactin (1), trinactin (2), and tetranactin (3) in a crude extract of Streptomyces sp. AMC 23 in the precursor ion scan mode. In addition, copper(II) was also used to induce radical fragmentation reactions in the carboxylic acid polyether ionophore nigericin. The resulting product ions with m/z 755 and 585 helped to identify nigericin in a crude extract of Streptomyces sp. Eucal-26 by means of precursor ion scan experiments, demonstrating that copper-induced fragmentation reactions can potentially identify different classes of polyether ionophores rapidly and selectively.

Heavy ion source support gas mixing experiments

International Nuclear Information System (INIS)

Hudson, E.D.; Mallory, M.L.

1977-01-01

Experiments on mixing an easily ionized support gas with the primary ion source gas have produced large beam enhancements for high charge state light ions (masses less than or equal to 20). In the Oak Ridge Isochronous Cyclotron (ORIC), the beam increase has been a factor of 5 or greater, depending on ion species and charge state. Approximately 0.1 cc/min of the easily ionized support gas (argon, krypton, or xenon) is supplied to the ion source through a separate gas line and the primary gas flow is reduced by approximately 30 percent. The proposed mechanism for increased intensity is as follows: The heavier support gas ionizes readily to a higher charge state, providing increased cathode heating. The increased heating permits a reduction in primary gas flow (lower pressure) and the subsequent beam increase

The formation of urea in space. I. Ion-molecule, neutral-neutral, and radical gas-phase reactions

Science.gov (United States)

Brigiano, Flavio Siro; Jeanvoine, Yannick; Largo, Antonio; Spezia, Riccardo

2018-02-01

Context. Many organic molecules have been observed in the interstellar medium thanks to advances in radioastronomy, and very recently the presence of urea was also suggested. While those molecules were observed, it is not clear what the mechanisms responsible to their formation are. In fact, if gas-phase reactions are responsible, they should occur through barrierless mechanisms (or with very low barriers). In the past, mechanisms for the formation of different organic molecules were studied, providing only in a few cases energetic conditions favorable to a synthesis at very low temperature. A particularly intriguing class of such molecules are those containing one N-C-O peptide bond, which could be a building block for the formation of biological molecules. Urea is a particular case because two nitrogen atoms are linked to the C-O moiety. Thus, motivated also by the recent tentative observation of urea, we have considered the synthetic pathways responsible to its formation. Aims: We have studied the possibility of forming urea in the gas phase via different kinds of bi-molecular reactions: ion-molecule, neutral, and radical. In particular we have focused on the activation energy of these reactions in order to find possible reactants that could be responsible for to barrierless (or very low energy) pathways. Methods: We have used very accurate, highly correlated quantum chemistry calculations to locate and characterize the reaction pathways in terms of minima and transition states connecting reactants to products. Results: Most of the reactions considered have an activation energy that is too high; but the ion-molecule reaction between NH2OHNH2OH2+ and formamide is not too high. These reactants could be responsible not only for the formation of urea but also of isocyanic acid, which is an organic molecule also observed in the interstellar medium.

Electron induced formation and stability of molecular and cluster ions in gas phase and superfluid helium nanodroplets

International Nuclear Information System (INIS)

Aleem, M. A.

2010-01-01

The present PhD thesis represents a broad range study of electron induced formation and stability of positive and negative ions in gas phase and superfluid helium nanodroplets. The molecules studied are of industrial, environmental, plasma and biological relevance. The knowledge obtained from the study provides new insight for the proper understanding and control on energetics and dynamics of the reactions involved in the formation and fragmentation processes of the studied molecules and clusters. The experiments are accomplished and investigated using mass spectrometric techniques for the formation of molecular and cluster ions using different mass spectrometers available in our laboratory. One part of the work is focused on electron-induced reactions of the molecules in gas phase. Especially focus is laid to electron attachment to the isomers of mononitrotolouene used as an additive to explosives. The fragile nature and high internal energy of these molecules has lead to extensive fragmentation following the ionisation process. Dissociative electron attachment to the three different isomers has shown different resonances and therefore this process can be utilized to explicitly distinguish these isomers. Anion efficiency curves of the isomers have been studied using effusive molecular beam source in combination with a hemispherical electron monochromator as well as a Nier-type ion source attached to a sector field mass spectrometer. The outcome of the experiment is a reliable and effective detection method highly desirable for environmental and security reasons. Secondly, dissociative electron ionization of acetylene and propene is studied and their data is directly related to the plasma modelling for plasma fusion and processing reactors. Temperature effects for dissociative electron attachment to halo-hydrocarbons are also measured using a trochoidal electron monochromator. The second part of the work is concerned with the investigation of electron

ICR studies of some anionic gas phase reactions and FTICR software design

International Nuclear Information System (INIS)

Noest, A.J.

1983-01-01

This thesis consists of two parts. Part one (Chs. 1-5) reports experimental results from mostly drift-cell ICR studies of negative ion-molecule reactions; part two (Chs. 6-11) concerns the design of software for an FTICR instrument. The author discusses successively: 1. ion cyclotron resonance spectrometry; 2. the gas phase allyl anion; 3. the (M-H) and (M-H2) anions from acetone; 4. negative ion-molecule reactions of aliphatic nitrites studied by cyclotron resonance; 5. homoconjugation versus charge-dipole interaction effects in the stabilization of carbanions in the gas phase; 6. the Fourier Transform ICR method; 7. the FTICR-software; 8. an efficient adaptive matcher filter for fast transient signals; 9. reduction of spectral peak height errors by time-domain weighing; 10. Chirp excitation; 11. Compact data storage. The book concludes with a Dutch and English summary (G.J.P.)

Infrared spectroscopy of gas-phase clusters using a free-electron laser

International Nuclear Information System (INIS)

Heijnsbergen, D. van; Helden, G. von; Meijer, G.

2002-01-01

Most clusters produced in the gas phase, especially those containing metals, remain largely uncharaterized, among these are transition metal - carbide, -oxide and -nitride clusters. A method for recording IR spectra of strongly bound gas-phase clusters is presented. It is based on a free-electron laser called Felix, characterized by wide wavelength tuning range, covering almost the full 'molecular finger print' region, high power and fluence which make it suited to excite gas-phase species i.e. gas -phase clusters. Neutral clusters were generated by laser vaporization technique, ions that were created after the interaction with the free-electron laser were analyzed in a flight mass spectrometer. Experiments were run with titanium carbide clusters and their IR spectra given. It was shown that this method is suited to strongly bound clusters with low ionization energies, a condition met for many pure metal clusters and metal compound clusters. (nevyjel)

Gas-Phase Enrichment of Multiply Charged Peptide Ions by Differential Ion Mobility Extend the Comprehensiveness of SUMO Proteome Analyses

Science.gov (United States)

Pfammatter, Sibylle; Bonneil, Eric; McManus, Francis P.; Thibault, Pierre

2018-04-01

The small ubiquitin-like modifier (SUMO) is a member of the family of ubiquitin-like modifiers (UBLs) and is involved in important cellular processes, including DNA damage response, meiosis and cellular trafficking. The large-scale identification of SUMO peptides in a site-specific manner is challenging not only because of the low abundance and dynamic nature of this modification, but also due to the branched structure of the corresponding peptides that further complicate their identification using conventional search engines. Here, we exploited the unusual structure of SUMO peptides to facilitate their separation by high-field asymmetric waveform ion mobility spectrometry (FAIMS) and increase the coverage of SUMO proteome analysis. Upon trypsin digestion, branched peptides contain a SUMO remnant side chain and predominantly form triply protonated ions that facilitate their gas-phase separation using FAIMS. We evaluated the mobility characteristics of synthetic SUMO peptides and further demonstrated the application of FAIMS to profile the changes in protein SUMOylation of HEK293 cells following heat shock, a condition known to affect this modification. FAIMS typically provided a 10-fold improvement of detection limit of SUMO peptides, and enabled a 36% increase in SUMO proteome coverage compared to the same LC-MS/MS analyses performed without FAIMS. [Figure not available: see fulltext.

A direct comparison of protein structure in the gas and solution phase: the Trp-cage

DEFF Research Database (Denmark)

Patriksson, Alexandra; Adams, Christopher M; Kjeldsen, Frank

2007-01-01

Molecular dynamics simulations of zwitterions of the Trp-cage protein in the gas phase show that the most stable ion in vacuo has preserved the charge locations acquired in solution. A direct comparison of the gas and solution-phase structures reveals that, despite the similarity in charge location...

Li-ion batteries: Phase transition

International Nuclear Information System (INIS)

Hou Peiyu; Zhang Yantao; Zhang Lianqi; Chu Geng; Gao Jian

2016-01-01

Progress in the research on phase transitions during Li + extraction/insertion processes in typical battery materials is summarized as examples to illustrate the significance of understanding phase transition phenomena in Li-ion batteries. Physical phenomena such as phase transitions (and resultant phase diagrams) are often observed in Li-ion battery research and already play an important role in promoting Li-ion battery technology. For example, the phase transitions during Li + insertion/extraction are highly relevant to the thermodynamics and kinetics of Li-ion batteries, and even physical characteristics such as specific energy, power density, volume variation, and safety-related properties. (topical review)

Identity confirmation of drugs and explosives in ion mobility spectrometry using a secondary drift gas.

Science.gov (United States)

Kanu, Abu B; Hill, Herbert H

2007-10-15

This work demonstrated the potential of using a secondary drift gas of differing polarizability from the primary drift gas for confirmation of a positive response for drugs or explosives by ion mobility spectrometry (IMS). The gas phase mobilities of response ions for selected drugs and explosives were measured in four drift gases. The drift gases chosen for this study were air, nitrogen, carbon dioxide and nitrous oxide providing a range of polarizability and molecular weights. Four other drift gases (helium, neon, argon and sulfur hexafluoride) were also investigated but design limitations of the commercial instrument prevented their use for this application. When ion mobility was plotted against drift gas polarizability, the resulting slopes were often unique for individual ions, indicating that selectivity factors between any two analytes varied with the choice of drift gas. In some cases, drugs like THC and heroin, which are unresolved in air or nitrogen, were well resolved in carbon dioxide or nitrous oxide.

Delivering Transmembrane Peptide Complexes to the Gas Phase Using Nanodiscs and Electrospray Ionization

Science.gov (United States)

Li, Jun; Richards, Michele R.; Kitova, Elena N.; Klassen, John S.

2017-10-01

The gas-phase conformations of dimers of the channel-forming membrane peptide gramicidin A (GA), produced from isobutanol or aqueous solutions of GA-containing nanodiscs (NDs), are investigated using electrospray ionization-ion mobility separation-mass spectrometry (ESI-IMS-MS) and molecular dynamics (MD) simulations. The IMS arrival times measured for (2GA + 2Na)2+ ions from isobutanol reveal three different conformations, with collision cross-sections (Ω) of 683 Å2 (conformation 1, C1), 708 Å2 (C2), and 737 Å2 (C3). The addition of NH4CH3CO2 produced (2GA + 2Na)2+ and (2GA + H + Na)2+ ions, with Ω similar to those of C1, C2, and C3, as well as (2GA + 2H)2+, (2GA + 2NH4)2+, and (2GA + H + NH4)2+ ions, which adopt a single conformation with a Ω similar to that of C2. These results suggest that the nature of the charging agents, imparted by the ESI process, can influence dimer conformation in the gas phase. Notably, the POPC NDs produced exclusively (2GA + 2NH4)2+ dimer ions; the DMPC NDs produced both (2GA + 2H)2+ and (2GA + 2NH4)2+ dimer ions. While the Ω of (2GA + 2H)2+ is similar to that of C2, the (2GA + 2NH4)2+ ions from NDs adopt a more compact structure, with a Ω of 656 Å2. It is proposed that this compact structure corresponds to the ion conducting single stranded head-to-head helical GA dimer. These findings highlight the potential of NDs, combined with ESI, for transferring transmembrane peptide complexes directly from lipid bilayers to the gas phase. [Figure not available: see fulltext.

Pulse radiolysis of alkanes in the gas-phase, ion-molecule reactions and neutralization mechanisms of hydrocarbon ions

International Nuclear Information System (INIS)

Ausloos, P.

1975-01-01

A discussion is presented of the fate of unreactive hydrocarbon ions in various selected gaseous systems. It is shown that experiments performed with the high radiation dose rates obtained in pulse radiolysis experiments have several advantages over conventional low dose rate experiments for the elucidation of the mechanism of homogeneous neutralization of unreactive hydrocarbon ions. This is so because the charged species has a much shorter lifetime with respect to neutralization under high dose rate (pulse radiolysis) conditions, so that the reaction of the ions with minor impurities or accumulated products is much less probable than in low dose rate experiments. It is further shown through a few examples, that quantitative information about the rate contants of neutralization events and ion-molecule reactions can be obtained when the dose rate is high enough for neutralization and chemical reaction to be in competition. Once reliable rate constants for neutralization and ion-molecule reactions are derived, one can obtain a quantitative evaluation of the products which will by formed in the pulse radiolysis of a hydrocarbon gas mixture from a computer calculation. (author)

Reversed-phase liquid chromatography coupled on-line with capillary gas chromatography use of an anion-exchange membrane to remove an ion-pair reagent from the eluent.

NARCIS (Netherlands)

Brinkman, U.A.T.; Goosens, E.C.; de Jong, D.; de Jong, G.J.; Beerthuizen, I.M.

1995-01-01

In order to enable the coupling of reversed-phase liquid chromatography (RPLC) with capillary gas chromatography (GC), the performance of an anion-exchange micromembrane device has been studied to remove the ion-pair reagent methanesulphonic acid from an acetonitrile/water LC eluent. The regenerant

Organic positive ions in aircraft gas-turbine engine exhaust

Science.gov (United States)

Sorokin, Andrey; Arnold, Frank

Volatile organic compounds (VOCs) represent a significant fraction of atmospheric aerosol. However the role of organic species emitted by aircraft (as a consequence of the incomplete combustion of fuel in the engine) in nucleation of new volatile particles still remains rather speculative and requires a much more detailed analysis of the underlying mechanisms. Measurements in aircraft exhaust plumes have shown the presence of both different non-methane VOCs (e.g. PartEmis project) and numerous organic cluster ions (MPIK-Heidelberg). However the link between detected organic gas-phase species and measured mass spectrum of cluster ions is uncertain. Unfortunately, up to now there are no models describing the thermodynamics of the formation of primary organic cluster ions in the exhaust of aircraft engines. The aim of this work is to present first results of such a model development. The model includes the block of thermodynamic data based on proton affinities and gas basicities of organic molecules and the block of non-equilibrium kinetics of the cluster ions evolution in the exhaust. The model predicts important features of the measured spectrum of positive ions in the exhaust behind aircraft. It is shown that positive ions emitted by aircraft engines into the atmosphere mostly consist of protonated and hydrated organic cluster ions. The developed model may be explored also in aerosol investigations of the background atmosphere as well as in the analysis of the emission of fine aerosol particles by automobiles.

Gas-phase and liquid-phase pre-irradiation grafting of AAc onto LDPE and HDPE films for pervaporation membranes

International Nuclear Information System (INIS)

Rao Zhigong; Li Guixiang; Sugo, Takanobu; Okamoto, Jiro

1992-01-01

A study has been made on gas-phase and liquid-phase pre-irradiation grafting of acrylic acid onto LDPE and HDPE films for pervaporation membranes of ethanol-water mixtures. It was found that the degree of grafting, percent volume change of grafted membranes and length of grafting chains depend on the methods of grafting, crystal state of substrate films and diffusion rate of the monomer in the films. The pervaporation characteristics of grafted membranes is influenced directly by the surface hydrophilicity of grafted membranes, temperature of the feed, degree of grafting, crosslinking of grafted chains and alkaline metal ions in the functional groups. The potassium ion exchange membrane of HDPE synthesized by gas-phase grafting has better pervaporation efficiency. At 80 wt% ethanol in the feed, 25 o C feed temperature and 70% degree of grafting a grafted membrane has a 0.65 kg/m 2 h flux and a separation factor of 20. (Author)

Ion-cyclotron-resonance- and Fourier-transform-ion-cyclotron-resonance spectroscopy: technology and application

International Nuclear Information System (INIS)

Luederwald, I.

1977-01-01

Instrumentation and technology of Ion-Cyclotron-Resonance and Fourier-Transform-Ion-Cyclotron-Resonance Spectroscopy are described. The method can be applied to studies of ion/molecule reactions in gas phase, to obtain thermodynamic data as gas phase acidity or basicity, proton and electron affinity, and to establish reaction mechanisms and ion structures. (orig.) [de

Structure Elucidation of Dimethylformamide-Solvated Alkylzinc Cations in the Gas Phase

NARCIS (Netherlands)

Dreiocker, F.; Oomens, J.; Meijer, Ajhm; Pickup, B. T.; Jackson, R. F. W.; Schafer, M.

2010-01-01

Organozinc iodides, useful for the synthesis of nonproteinogenic amino acids, are investigated in the gas phase by a combination of electrospray (ESI)-MS/MS, accurate ion mass measurements, and infrared multiphoton dissociation (IRMPD) spectroscopy employing a free electron laser. ESI allowed the

Structure elucidation of dimethylformamide-solvated alkylzinc cations in the gas phase

NARCIS (Netherlands)

Dreiocker, F.; Oomens, J.; Meijer, A.J.H.M.; Pickup, B.T.; Jackson, R.F.W.; Schäfer, M.

2010-01-01

Organozinc iodides, useful for the synthesis of nonproteinogenic amino acids, are investigated in the gas phase by a combination of electrospray (ESI)-MS/MS, accurate ion mass measurements, and infrared multiphoton dissociation (IRMPD) spectroscopy employing a free electron laser. ESI allowed the

Structure and dynamics of gas phase ions: Interplay between experiments and computations in IRMPD spectroscopy

Science.gov (United States)

Coletti, Cecilia; Corinti, Davide; Paciotti, Roberto; Re, Nazzareno; Crestoni, Maria Elisa; Fornarini, Simonetta

2017-11-01

The investigation of the molecular structure and dynamics of ions in gas phase is an item of increasing interest, due the role such species play in many areas of chemistry and physics, not to mention that they often represent elusive intermediates in more complex reaction mechanisms. Infrared Multiple Photon Dissociation spectroscopy is today one of the most advanced technique to this purpose, because of its high sensitivity to even small structure changes. The interpretation of IRMPD spectra strongly relies on high level quantum mechanical computations, so that a close interplay is needed for a detailed understanding of structure and kinetics properties which can be gathered from the many applications of this powerful technique. Recent advances in experiment and theory in this field are here illustrated, with emphasis on recent progresses for the elucidation of the mechanism of action of cisplatin, one of the most widely used anticancer drugs.

The nuclear liquid-gas phase transition: Present status and future perspectives

International Nuclear Information System (INIS)

Pochodzalla, J.; Imme, G.; Maddalena, V.

1996-07-01

More than two decades ago, the van der Waals behavior of the nucleon -nucleon force inspired the idea of a liquid-gas phase transition in nuclear matter. Heavy-ion reactions at relativistic energies offer the unique possibility for studying this phase transition in a finite, hadronic system. A general overview of this subject is given emphasizing the most recent results on nuclear calorimetry. (orig.)

Angular intensity of a gas-phase field ionization source

International Nuclear Information System (INIS)

Orloff, J.; Swanson, L.W.

1979-01-01

Angular intensities of 1 μA sr -1 have been measured for a gas-phase field ionization source in an optical column under practical operating conditions. The source, which was differentially pumped and cooled to 77 K, utilized a -oriented iridium emitter and precooled hydrogen gas at 10 -2 Torr. The ion beam was collimated with an electrostatic lens and detected below an aperture subtending 0.164 msr. A transmitted current of approx.10 -10 A was measured at voltages corresponding to a field of approx. =2.2 V/A at the emitter

Influence of Ionization Source Conditions on the Gas-Phase Protomer Distribution of Anilinium and Related Cations.

Science.gov (United States)

Attygalle, Athula B; Xia, Hanxue; Pavlov, Julius

2017-08-01

The gas-phase-ion generation technique and specific ion-source settings of a mass spectrometer influence heavily the protonation processes of molecules and the abundance ratio of the generated protomers. Hitherto that has been attributed primarily to the nature of the solvent and the pH. By utilizing electrospray ionization and ion-mobility mass spectrometry (IM-MS), we demonstrate, even in the seemingly trivial case of protonated aniline, that the protomer ratio strongly depends on the source conditions. Under low in-source ion activation, nearly 100% of the N-protomer of aniline is produced, and it can be subsequently converted to the C-protomer by collisional activation effected by increasing the electrical potential difference between the entrance and exit orifices of the first vacuum region. This activation and transformation process takes place even before the ion is mass-selected and subjected to IM separation. Despite the apparent simplicity of the problem, the preferred protonation site of aniline in the gas phase-the amino group or the aromatic ring-has been a topic of controversy. Our results not only provide unambiguous evidence that ring- and nitrogen-protonated aniline can coexist and be interconverted in the gas phase, but also that the ratio of the protomers depends on the internal energy of the original ion. There are many dynamic ion-transformation and fragmentation processes that take place in the different physical compartments of a Synapt G2 HDMS instrument. Such processes can dramatically change the very identity even of small ions, and therefore should be taken into account when interpreting product-ion mass spectra. Graphical Abstract ᅟ.

Gas-phase fragmentation of coordination compounds: loss of CO(2) from inorganic carbonato complexes to give metal oxide ions

Science.gov (United States)

Dalgaard; McKenzie

1999-10-01

Using electrospray ionization mass spectrometry, novel transition metal oxide coordination complex ions are proposed as the products of the collision-induced dissociation (CID) of some carbonato complex ions through the loss of a mass equivalent to CO(2). CID spectra of [(tpa)CoCO(3)](+) (tpa = tris(2-pyridylmethyl)methylamine), [(bispicMe(2)en)Fe(&mgr;-O)(&mgr;-CO(3))Fe(bispicMe(2)en)]2+ (bispicMe(2)en = N,N'-dimethyl-N,N'-bis(2-pyridylmethy)eth- ane-1, 2-diamine) and [(bpbp)Cu(2)CO(3)](+) (bpbp(-) = bis[(bis-(2-pyridylmethyl)amino)methyl]-4-tertbutylpheno-lato(1-)), show peaks assigned to the mono- and dinuclear oxide cations, [(tpa)CoO](+), [(bispicMe(2)en)(2)Fe(2)(O)(2)]2+ and [(bpbp)Cu(2)O](+), as the dominant species. These results can be likened to the reverse of typical synthetic reactions in which metal hydroxide compounds react with CO(2) to give metal carbonato compounds. Because of the lack of available protons in the gas phase, novel oxide species rather than the more common hydroxide ions are generated. These oxide ions are relevant to the highly oxidizing species proposed in oxygenation reactions catalysed by metal oxides and metalloenzymes. Copyright 1999 John Wiley & Sons, Ltd.

Inert gas handling in ion plating systems

International Nuclear Information System (INIS)

Goode, A.R.; Burden, M.St.J.

1979-01-01

The results of an investigation into the best methods for production and monitoring of the inert gas environment for ion plating systems are reported. Work carried out on Pirani gauges and high pressure ion gauges for the measurement of pressures in the ion plating region (1 - 50mtorr) and the use of furnaces for cleaning argon is outlined. A schematic of a gas handling system is shown and discussed. (UK)

Physics of gas breakdown for ion beam transport in gas

International Nuclear Information System (INIS)

Olson, C.L.; Poukey, J.W.; Hinshelwood, D.D.; Rose, D.V.; Hubbard, R.F.; Lampe, M.; Neri, J.M.; Ottinger, P.F.; Slinker, S.P.; Stephanakis, S.J.; Young, F.C.; Welch, D.R.

1993-01-01

Detailed analysis, experiments, and computer simulations are producing a new understanding of gas breakdown during intense ion beam transport in neutral gas. Charge neutralization of beam micro clumps is shown to limit the net clump potentials to a non-zero value π min , which can lead to divergence growth and axial energy spreading. At pressures approx-gt 1 Torr, plasma shielding should substantially reduce this effect Current neutralization has been studied in experiments on the GAMBLE II accelerator. The importance of fast electrons (knockons and runaways) has been established in IPROP simulations, which are in agreement with the experiments. For light ion fusion parameters with pressures approx-gt 1 Torr, very small net current fractions (much-lt 1%) appear feasible, permitting ballistic transport in gas. Self-pinched requires higher net current fractions (≥ 2%) and preliminary IPROP code results indicate that this appears achievable for small-radius intense beams in lower pressure gases (approx-gt Torr). Several self-pinched transport concepts look promising. The importance of these results for both light ion fusion and heavy ion fusion is discussed

Dynamics of gas-phase transient species studied by dissociative photodetachment of molecular anions

OpenAIRE

Lu, Zhou

2007-01-01

Gas-phase transient species, such as the CH₃CO₂ and HOCO free radicals, play important roles in combustion and environment chemistry. In this thesis work, the dynamics of these two radicals were studied by dissociative photodetachment (DPD) of the negative ions, CH₃CO₂-С and HOCO⁻, respectively. The experiments were carried out with a fast-ion-beam photoelectron-photofragment coincidence (PPC) spectrometer. Mass-selected molecular anions in a fast ion beam were intercepted by a linearly polar...

Carbon ion pump for removal of carbon dioxide from combustion gas and other gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Aines, Roger D.; Bourcier, William L.

2014-08-19

A novel method and system of separating carbon dioxide from flue gas is introduced. Instead of relying on large temperature or pressure changes to remove carbon dioxide from a solvent used to absorb it from flue gas, the ion pump method, as disclosed herein, dramatically increases the concentration of dissolved carbonate ion in solution. This increases the overlying vapor pressure of carbon dioxide gas, permitting carbon dioxide to be removed from the downstream side of the ion pump as a pure gas. The ion pumping may be obtained from reverse osmosis, electrodialysis, thermal desalination methods, or an ion pump system having an oscillating flow in synchronization with an induced electric field.

Carbon ion pump for removal of carbon dioxide from combustion gas and other gas mixtures

Science.gov (United States)

Aines, Roger D.; Bourcier, William L.

2010-11-09

A novel method and system of separating carbon dioxide from flue gas is introduced. Instead of relying on large temperature or pressure changes to remove carbon dioxide from a solvent used to absorb it from flue gas, the ion pump method, as disclosed herein, dramatically increases the concentration of dissolved carbonate ion in solution. This increases the overlying vapor pressure of carbon dioxide gas, permitting carbon dioxide to be removed from the downstream side of the ion pump as a pure gas. The ion pumping may be obtained from reverse osmosis, electrodialysis, thermal desalination methods, or an ion pump system having an oscillating flow in synchronization with an induced electric field.

Do medium heavy fragments give evidence for a liquid-gas phase transition

International Nuclear Information System (INIS)

Trockel, R.; Hildenbrand, K.D.; Lynen, U.; Mueller, W.F.J.; Rabe, H.J.; Sann, H.; Stelzer, H.; Wada, R.; Brummund, N.; Glasow, R.; Kampert, K.H.; Santo, R.; Pelte, D.; Pochodzalla, J.; Eckert, E.

1985-09-01

Light and medium heavy fragments have been measured in light ion induced reactions at intermediate energies. The energy spectra have been parametrized with moving source fits. The resulting temperatures and yields do not confirm the expectations of a liquid-gas phase transition. (orig.)

Solid gas reaction phase diagram under high gas pressure

International Nuclear Information System (INIS)

Ishizaki, K.

1992-01-01

This paper reports that to evaluate which are the stable phases under high gas pressure conditions, a solid-gas reaction phase diagram under high gas pressure (HIP phase diagram) has been proposed by the author. The variables of the diagram are temperature, reactant gas partial pressure and total gas pressure. Up to the present time the diagrams have been constructed using isobaric conditions. In this work, the stable phases for a real HIP process were evaluated assuming an isochoric condition. To understand the effect of the total gas pressure on stability is of primary importance. Two possibilities were considered and evaluated, those are: the total gas pressure acts as an independent variable, or it only affects the fugacity values. The results of this work indicate that the total gas pressure acts as an independent variable, and in turn also affects the fugacity values

Gas Phase Nanoparticle Synthesis

Science.gov (United States)

Granqvist, Claes; Kish, Laszlo; Marlow, William

This book deals with gas-phase nanoparticle synthesis and is intended for researchers and research students in nanomaterials science and engineering, condensed matter physics and chemistry, and aerosol science. Gas-phase nanoparticle synthesis is instrumental to nanotechnology - a field in current focus that raises hopes for environmentally benign, resource-lean manufacturing. Nanoparticles can be produced by many physical, chemical, and even biological routes. Gas-phase synthesis is particularly interesting since one can achieve accurate manufacturing control and hence industrial viability.

Sputtering on cobalt with noble gas ions

International Nuclear Information System (INIS)

Sarholt-Kristensen, L.; Johansen, A.; Johnson, E.

1983-01-01

Single crystals of cobalt have been bombarded with 80 keV Ar + ions and with 80 keV and 200 keV Xe + ions in the [0001] direction of the hcp phase and the [111] direction of the fcc phase. The sputtering yield has been measured as function of target temperature (20 0 C-500 0 C), showing a reduction in sputtering yield for 80 keV Ar + ions and 200 keV Xe + ions, when the crystal structure changes from hcp to fcc. In contrast to this, bombardment with 80 keV Xe + ions results in an increase in sputtering yield as the phase transition is passed. Sputtering yields for [111] nickel are in agreement with the sputtering yields for fcc cobalt indicating normal behaviour of the fcc cobalt phase. The higher sputtering yield of [0001] cobalt for certain combinations of ion mass and energy may then be ascribed to disorder induced partly by martensitic phase transformation, partly by radiation damage. (orig.)

Experimental Observations of Ion Phase-Space Vortices

DEFF Research Database (Denmark)

Pécseli, Hans; Armstrong, R. J.; Trulsen, J.

1981-01-01

Experimental observations of ion phase-space vortices are reported. The ion phase-space vortices form in the region of heated ions behind electrostatic ion acoustic shocks. The results are in qualitative agreement with numerical and analytic studies....

Role of isospin in nuclear-matter liquid-gas phase transition

International Nuclear Information System (INIS)

Ducoin, C.

2006-10-01

Nuclear matter presents a phase transition of the liquid-gas type. This well-known feature is due to the nuclear interaction profile (mean-range attractive, short-range repulsive). Symmetric-nuclear-matter thermodynamics is thus analogous to that of a Van der Waals fluid. The study shows up to be more complex in the case of asymmetric matter, composed of neutrons and protons in an arbitrary proportion. Isospin, which distinguishes both constituents, gives a measure of this proportion. Studying asymmetric matter, isospin is an additional degree of freedom, which means one more dimension to consider in the space of observables. The nuclear liquid-gas transition is associated with the multi-fragmentation phenomenon observed in heavy-ion collisions, and to compact-star physics: the involved systems are neutron rich, so they are affected by the isospin degree of freedom. The present work is a theoretical study of isospin effects which appear in the asymmetric nuclear matter liquid-gas phase transition. A mean-field approach is used, with a Skyrme nuclear effective interaction. We demonstrate the presence of a first-order phase transition for asymmetric matter, and study the isospin distillation phenomenon associated with this transition. The case of phase separation at thermodynamic equilibrium is compared to spinodal decomposition. Finite size effects are addressed, as well as the influence of the electron gas which is present in the astrophysical context. (author)

Ab initio treatment of gas phase GeO{sup 2+} doubly charged ion

Energy Technology Data Exchange (ETDEWEB)

Mogren Al Mogren, M. [Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia); Ben Abdallah, D. [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications – LSAMA, Université de Tunis, Tunis (Tunisia); Department of General Studies, Riyadh Corporation of Technology, Technical and Vocational Training Corporation, PO Box 42826, Riyadh 11551 (Saudi Arabia); Hochlaf, M., E-mail: hochlaf@univ-mlv.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)

2015-01-13

Highlights: • Theoretical investigation of the novel gas-phase molecular species GeO{sup 2+}. • Spectroscopic parameters of this dication in its electronic ground and exited states. • Theoretical double ionization spectrum of GeO. - Abstract: Using multi reference configuration interaction methodology in connection with a large basis set, we show that GeO{sup 2+} is a metastable species either in the ground or in the electronically excited states. This confirms the observation of this dication in gas phase by mass spectrometry. In addition, we derived a set of accurate spectroscopic terms for GeO{sup 2+} bound states. At the MRCI/aug-cc-pV5Z level of theory, the adiabatic double ionization energy of GeO is computed to be ∼28.93 eV.

Mobilities of positive ions in gas ionization chambers

International Nuclear Information System (INIS)

Kusumegi, Asao

1990-01-01

Observed ion mobilities of organic molecules in Ar are compared with a complete polarization model to examine the performance of the model, and its applicability is discussed. In spite of its simplicity, the polarization model (small sphere limit) is found to agree satisfactorily with observed mobilities in the case of alkali ions in Ar. However, the model fails to account for the mobility of Ar + in Ar due to a resonant charge transfer interaction between the ion and the parent gas. On the other hand, the values of k, a parameter which depends on the kinetic and the potential energy of the relevant ion, derived from observed ion mobilities of organic molecules in Ar and in the parent gas are found to be close to each other. Except for few cases, it appears that the complete polarization model gives a reasonable approximation for the positive ion mobilities of organic molecules in Ar, though the importance of the ion mass identification is significant in considering the applicability of the model to the positive ion mobility of those organic molecules in Ar used in a gas ionization chamber. (N.K.)

Comparison of electrical and optical characteristics in gas-phase and gas-liquid phase discharges

Energy Technology Data Exchange (ETDEWEB)

Qazi, H. I. A.; Li, He-Ping, E-mail: liheping@tsinghua.edu.cn; Zhang, Xiao-Fei; Bao, Cheng-Yu [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Nie, Qiu-Yue [School of Electrical Engineering and Automation, Harbin Institute of Technology, Harbin, Heilongjiang Province 150001 (China)

2015-12-15

This paper presents an AC-excited argon discharge generated using a gas-liquid (two-phase) hybrid plasma reactor, which mainly consists of a powered needle electrode enclosed in a conical quartz tube and grounded deionized water electrode. The discharges in the gas-phase, as well as in the two-phase, exhibit two discharge modes, i.e., the low current glow-like diffuse mode and the high current streamer-like constrict mode, with a mode transition, which exhibits a negative resistance of the discharges. The optical emission spectral analysis shows that the stronger diffusion of the water vapor into the discharge region in the two-phase discharges boosts up the generation of OH (A–X) radicals, and consequently, leads to a higher rotational temperature in the water-phase plasma plume than that of the gas-phase discharges. Both the increase of the power input and the decrease of the argon flow rate result in the increase of the rotational temperature in the plasma plume of the water-phase discharge. The stable two-phase discharges with a long plasma plume in the water-phase under a low power input and gas flow rate may show a promising prospect for the degradation of organic pollutants, e.g., printing and dyeing wastewater, in the field of environmental protection.

A versatile gas interface for routine radiocarbon analysis with a gas ion source

Energy Technology Data Exchange (ETDEWEB)

Wacker, L., E-mail: wacker@phys.ethz.ch [Laboratory of Ion Beam Physics, ETH Zurich, 8093 Zurich (Switzerland); Fahrni, S.M. [Department of Chemistry and Biochemistry, University of Bern, 3012 Berne (Switzerland); Oeschger Centre for Climate Change Research, University of Bern, 3012 Berne (Switzerland); Paul Scherrer Institute (PSI), 5232 Villigen (Switzerland); Hajdas, I. [Laboratory of Ion Beam Physics, ETH Zurich, 8093 Zurich (Switzerland); Molnar, M. [Laboratory of Ion Beam Physics, ETH Zurich, 8093 Zurich (Switzerland); Institute of Nuclear Research, Hungarian Academy of Sciences, 4026 Debrecen (Hungary); Synal, H.-A. [Laboratory of Ion Beam Physics, ETH Zurich, 8093 Zurich (Switzerland); Szidat, S. [Department of Chemistry and Biochemistry, University of Bern, 3012 Berne (Switzerland); Oeschger Centre for Climate Change Research, University of Bern, 3012 Berne (Switzerland); Zhang, Y.L. [Department of Chemistry and Biochemistry, University of Bern, 3012 Berne (Switzerland); Oeschger Centre for Climate Change Research, University of Bern, 3012 Berne (Switzerland); Paul Scherrer Institute (PSI), 5232 Villigen (Switzerland)

2013-01-15

In 2010 more than 600 radiocarbon samples were measured with the gas ion source at the MIni CArbon DAting System (MICADAS) at ETH Zurich and the number of measurements is rising quickly. While most samples contain less than 50 {mu}g C at present, the gas ion source is attractive as well for larger samples because the time-consuming graphitization is omitted. Additionally, modern samples are now measured down to 5 per-mill counting statistics in less than 30 min with the recently improved gas ion source. In the versatile gas handling system, a stepping-motor-driven syringe presses a mixture of helium and sample CO{sub 2} into the gas ion source, allowing continuous and stable measurements of different kinds of samples. CO{sub 2} can be provided in four different ways to the versatile gas interface. As a primary method, CO{sub 2} is delivered in glass or quartz ampoules. In this case, the CO{sub 2} is released in an automated ampoule cracker with 8 positions for individual samples. Secondly, OX-1 and blank gas in helium can be provided to the syringe by directly connecting gas bottles to the gas interface at the stage of the cracker. Thirdly, solid samples can be combusted in an elemental analyzer or in a thermo-optical OC/EC aerosol analyzer where the produced CO{sub 2} is transferred to the syringe via a zeolite trap for gas concentration. As a fourth method, CO{sub 2} is released from carbonates with phosphoric acid in septum-sealed vials and loaded onto the same trap used for the elemental analyzer. All four methods allow complete automation of the measurement, even though minor user input is presently still required. Details on the setup, versatility and applications of the gas handling system are given.

Atomic forces between noble gas atoms, alkali ions, and halogen ions for surface interactions

Science.gov (United States)

Wilson, J. W.; Outlaw, R. A.; Heinbockel, J. H.

1988-01-01

The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base developed from analysis of the two-body potential data, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas surfaces and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

Gas-phase spectroscopy of ferric heme-NO complexes

DEFF Research Database (Denmark)

Wyer, J.A.; Jørgensen, Anders; Pedersen, Bjarke

2013-01-01

and significantly blue-shifted compared to ferric heme nitrosyl proteins (maxima between 408 and 422 nm). This is in stark contrast to the Q-band absorption where the protein microenvironment is nearly innocent in perturbing the electronic structure of the porphyrin macrocycle. Photodissociation is primarily...... maxima of heme and its complexes with amino acids and NO. Not so innocent: Weakly bound complexes between ferric heme and NO were synthesised in the gas phase, and their absorption measured from photodissociation yields. Opposite absorption trends in the Soret-band are seen upon NO addition to heme ions...

Formation of Ion Phase-Space Vortexes

DEFF Research Database (Denmark)

Pécseli, Hans; Trulsen, J.; Armstrong, R. J.

1984-01-01

The formation of ion phase space vortexes in the ion two stream region behind electrostatic ion acoustic shocks are observed in a laboratory experiment. A detailed analysis demonstrates that the evolution of such vortexes is associated with ion-ion beam instabilities and a nonlinear equation for ...

Structure and reactivity of C7H7+ ions from the decay of tritiated toluenes. Part 1. Reactions of free tolyl ions with methanol in the gas and liquid phases

International Nuclear Information System (INIS)

Cacace, F.; Ciranni, G.; Sparapani, C.; Speranza, M.

1984-01-01

Labeled tolyl cations from the decay of ring-multitritiated toluene have been allowed to react with methanol in the liquid and the gas phases, at pressures ranging from 6 to 100 torr, yielding methyl tolyl ethers as the major products, without appreciable formation of benzyl methyl ether. The isomeric composition of the products from the gaseous systems depends on the pressure, the percentage of o-tolyl ether increasing at the expense of the para isomer as the methanol pressure is reduced. The results show that the three tolyl ions exist as distinct species in the dilute gas state. When formed in a sufficiently excited state, as from the β decay of a 3 H atom in toluene, they undergo appreciable interconversion, without detectable isomerization to the benzyl cation, at least within the pressure range accessible to the decay technique. 50 references, 1 table

An Introduction to the Gas Phase

Science.gov (United States)

Vallance, Claire

2017-11-01

'An Introduction to the Gas Phase' is adapted from a set of lecture notes for a core first year lecture course in physical chemistry taught at the University of Oxford. The book is intended to give a relatively concise introduction to the gas phase at a level suitable for any undergraduate scientist. After defining the gas phase, properties of gases such as temperature, pressure, and volume are discussed. The relationships between these properties are explained at a molecular level, and simple models are introduced that allow the various gas laws to be derived from first principles. Finally, the collisional behaviour of gases is used to explain a number of gas-phase phenomena, such as effusion, diffusion, and thermal conductivity.

Compact permanent magnet H⁺ ECR ion source with pulse gas valve.

Science.gov (United States)

Iwashita, Y; Tongu, H; Fuwa, Y; Ichikawa, M

2016-02-01

Compact H(+) ECR ion source using permanent magnets is under development. Switching the hydrogen gas flow in pulse operations can reduce the gas loads to vacuum evacuation systems. A specially designed piezo gas valve chops the gas flow quickly. A 6 GHz ECR ion source equipped with the piezo gas valve is tested. The gas flow was measured by a fast ion gauge and a few ms response time is obtained.

Argentation gas chromatography revisited: Separation of light olefin/paraffin mixtures using silver-based ionic liquid stationary phases.

Science.gov (United States)

Nan, He; Zhang, Cheng; Venkatesh, Amrit; Rossini, Aaron J; Anderson, Jared L

2017-11-10

Silver ion or argentation chromatography utilizes stationary phases containing silver ions for the separation of unsaturated compounds. In this study, a mixed-ligand silver-based ionic liquid (IL) was evaluated for the first time as a gas chromatographic (GC) stationary phase for the separation of light olefin/paraffin mixtures. The selectivity of the stationary phase toward olefins can be tuned by adjusting the ratio of silver ion and the mixed ligands. The maximum allowable operating temperature of these stationary phases was determined to be between 125°C and 150°C. Nuclear magnetic resonance (NMR) spectroscopy was used to characterize the coordination behavior of the silver-based IL as well as provide an understanding into the retention mechanism of light olefins. Copyright © 2017 Elsevier B.V. All rights reserved.

MOLECULAR SPECTROSCPY AND REACTIONS OF ACTINIDES IN THE GAS PHASE AND CRYOGENIC MATRICES

Energy Technology Data Exchange (ETDEWEB)

Heaven, Michael C.; Gibson, John K.; Marcalo, Joaquim

2009-02-01

temperature or below. For many spectroscopic measurements, low temperatures have been achieved by co-condensing the actinide vapor in rare gas or inert molecule host matrices. Spectra recorded in matrices are usually considered to be minimally perturbed. Trapping the products from gas-phase reactions that occur when trace quantities of reactants are added to the inert host gas has resulted in the discovery of many new actinide species. Selected aspects of the matrix isolation data were discussed in chapter 17. In the present chapter we review the spectroscopic matrix data in terms of its relationship to gas-phase measurements, and update the description of the new reaction products found in matrices to reflect the developments that have occurred during the past two years. Spectra recorded in matrix environments are usually considered to be minimally perturbed, and this expectation is borne out for many closed shell actinide molecules. However, there is growing evidence that significant perturbations can occur for open shell molecules, resulting in geometric distortions and/or electronic state reordering. Studies of actinide reactions in the gas phase provide an opportunity to probe the relationship between electronic structure and reactivity. Much of this work has focused on the reactions of ionic species, as these may be selected and controlled using various forms of mass spectrometry. As an example of the type of insight derived from reaction studies, it has been established that the reaction barriers for An+ ions are determined by the promotion energies required to achieve the 5fn6d7s configuration. Gas-phase reaction studies also provide fundamental thermodynamic properties such as bond dissociation and ionization energies. In recent years, an increased number of gas-phase ion chemistry studies of bare (atomic) and ligated (molecular) actinide ions have appeared, in which relevant contributions to fundamental actinide chemistry have been made. These studies were initiated

Iodine removal from a gas phase

International Nuclear Information System (INIS)

Vikis, A. Ch.

1982-01-01

Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase. (author)

Iodine removal from a gas phase

International Nuclear Information System (INIS)

Vikis, A.C.

1984-01-01

Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase

Study of ions - molecules reactions in the gas phase with collision reaction cell devices: Applications to the direct resolution of spectroscopic interferences in ICP-MS

International Nuclear Information System (INIS)

Favre, G.

2008-12-01

Inductively Coupled Plasma Mass Spectrometry emerged as the most widespread mass spectrometry technique in inorganic analytical chemistry for determining the concentration of a given isotope or an isotope ratio. The problem of spectroscopic interferences, inherent to this technique, finds a solution through the use of reaction cell devices. An in situ interference removal is feasible with the addition of a well selected gas in the cell. The understanding of the chemistry of ions-molecules interactions in the gas phase is however fundamental to optimize the efficiency of such devices. An accurate knowledge of experimental conditions in the reaction zone according to instrumental parameters appears crucial in order to interpret observed reactivities. This preliminary study is then used for the resolution of two nuclear field characteristic interferences. (author)

Toxic fluoride gas emissions from lithium-ion battery fires.

Science.gov (United States)

Larsson, Fredrik; Andersson, Petra; Blomqvist, Per; Mellander, Bengt-Erik

2017-08-30

Lithium-ion battery fires generate intense heat and considerable amounts of gas and smoke. Although the emission of toxic gases can be a larger threat than the heat, the knowledge of such emissions is limited. This paper presents quantitative measurements of heat release and fluoride gas emissions during battery fires for seven different types of commercial lithium-ion batteries. The results have been validated using two independent measurement techniques and show that large amounts of hydrogen fluoride (HF) may be generated, ranging between 20 and 200 mg/Wh of nominal battery energy capacity. In addition, 15-22 mg/Wh of another potentially toxic gas, phosphoryl fluoride (POF 3 ), was measured in some of the fire tests. Gas emissions when using water mist as extinguishing agent were also investigated. Fluoride gas emission can pose a serious toxic threat and the results are crucial findings for risk assessment and management, especially for large Li-ion battery packs.

Ion-enhanced gas-surface chemistry: The influence of the mass of the incident ion

International Nuclear Information System (INIS)

Gerlach-Meyer, U.; Coburn, J.W.; Kay, E.

1981-01-01

There are many examples of situations in which a gas-surface reaction rate is increased when the surface is simultaneously subjected to energetic particle bombardment. There are several possible mechanisms which could be involved in this radiation-enhanced gas-surface chemistry. In this study, the reaction rate of silicon, as determined from the etch yield, is measured during irradiation of the Si surface with 1 keV He + , Ne + , and Ar + ions while the surface is simultaneously subjected to fluxes of XeF 2 or Cl 2 molecules. Etch yields as high as 25 Si atoms/ion are observed for XeF 2 and Ar + on Si. A discussion is presented of the extent to which the results clarify the mechanisms responsible for ion-enhanced gas-surface chemistry. (orig.)

Aromatic substitution in the gas phase. Alkylation of arenes by gaseous C4H9+ cations

International Nuclear Information System (INIS)

Cacace, F.; Ciranni, G.; Giacomello, P.

1981-01-01

Butyl cations, obtained in the dilute gas state from the radiolysis of butane in the pressure range from 70 to 750 torr, have been allowed to react with benzene, toluene, and their mixtures or with trace amounts of o-xylene in the gaseous system. The gas-phase butylation yields invariably sec-butylarenes, remarkably free of isomeric byproducts, namely n- and tert-butylarenes. Other alkylation experiments, where gaseous butyl cations from the reaction of butane with radiolytically formed H 3 + ions were used as reagent, confirmed the exclusive formation of sec-butylarenes. The butylation process displays the positional and substrate selectivity and the dependence of orientation on the pressure of the system, typical of other gas-phase ionic substitutions. At high pressures, orth-para orientation predominates in the sec-butylation of toluene, with a ortho:meta:para ratio of 43:30:27 at 715 torr. As the pressure is reduced, a gradual shift in favor of the thermodynamically most stable meta-substituted arenium ion is observed, leading to a ortho:meta:para ratio of 31:48:21 at 70 torr

Gas cluster ion beam equipments for industrial applications

International Nuclear Information System (INIS)

Matsuo, J.; Takaoka, G.H.; Yamada, I.

1995-01-01

30 keV and 200 keV gas cluster ion beam equipments have been developed for industrial applications. A gas cluster source with a non-cooled nozzle was used for both the equipments. Sufficient monomer ion suppression was achieved by using an ExB filter and chromatic lenses mass filter with low extraction voltage. These equipments are suitable to be used for low-damage surface treatment of metals, insulators and semiconductors without heavy metal contamination. (orig.)

Finite size effects in liquid-gas phase transition of asymmetric nuclear matter

International Nuclear Information System (INIS)

Pawlowski, P.

2001-01-01

Full text: Since the nuclear equation of state has been studied in astrophysical context as an element of neutron star or super-nova theories - a call for an evidence was produced in experimental nuclear physics. Heavy-ion collisions became a tool of study on thermodynamic properties of nuclear matter. A particular interest has been inspired here by critical behavior of nuclear systems, as a phase transition of liquid-gas type. A lot of efforts was put to obtain an experimental evidence of such a phenomenon in heavy-ion collisions. With the use of radioactive beams and high performance identification systems in a near future it will be possible to extend experimental investigation to asymmetric nuclear systems, where neutron-to-proton ratio is far from the stability line. This experimental development needs a corresponding extension of theoretical studies. To obtain a complete theory of the liquid-gas phase transition in small nuclear systems, produced in violent heavy-ion collisions, one should take into account two facts. First, that the nuclear matter forming nuclei is composed of protons and neutrons; this complicates the formalism of phase transitions because one has to deal with two separate, proton and neutron, densities and chemical potentials. The second and more important is that the surface effects are very strong in a system composed of a few hundreds of nucleons. This point is especially difficult to hold, because surface becomes an additional, independent state parameter, depending strongly on the geometrical configuration of the system, and introducing a non-local term in the equation of state. In this presentation we follow the recent calculation by Lee and Mekjian on the finite-size effects in small (A = 10 2 -10 3 ) asymmetric nuclear systems. A zero-range isospin-dependent Skyrme force is used to obtain a density and isospin dependent potential. The potential is then completed by additional terms giving contributions from surface and Coulomb

Approximation of the characteristics of ion drift in parent gas

Energy Technology Data Exchange (ETDEWEB)

Golyatina, R. I.; Maiorov, S. A., E-mail: mayorov-sa@mail.ru [Russian Academy of Science, Prokhorov General Physics Institute (Russian Federation)

2017-01-15

The drift velocities of noble-gas and mercury ions in a constant homogeneous electric field are calculated using Monte Carlo simulations. The ion mobility is analyzed as a function of the field strength and gas temperature. The fitting parameters for calculating the drift velocity by the Frost formula at gas temperatures of 4.2, 77, 300, 1000, and 2000 K are obtained. A general approximate formula for the drift velocity as a function of the reduced field and gas temperature is derived.

Gas-phase Absorptions of {{\\rm{C}}}_{42}{{\\rm{H}}}_{18}^{+} near 8300 Å below 10 K: Astronomical Implications

Science.gov (United States)

Campbell, E. K.; Maier, J. P.

2017-11-01

The gas-phase electronic spectrum of {{{C}}}42{{{H}}}18+ ({{HBC}}+) with an origin band at 8281 \\mathringA has been measured below 10 {{K}} by photofragmentation of helium complexes ({{{C}}}42{{{H}}}18+{--}{{He}}n) in a radiofrequency trap. {{HBC}}+ is a medium-sized polycyclic aromatic hydrocarbon (PAH) cation, and using an ion trapping technique it has been possible to record a high-quality gas-phase spectrum to directly compare with astronomical observations. No diffuse interstellar bands (DIBs) have been reported at the wavelengths of the strongest absorption bands in the {{{C}}}42{{{H}}}18+ spectrum. Measurement of absolute absorption cross sections in the ion trap allows upper limits to the column density of this ion to be {10}12 {{cm}}-2, indicating that even PAH cations of this size, which are believed to be stable in the interstellar medium, should be excluded as candidates for at least the strong DIBs.

Probing Protein Structure and Folding in the Gas Phase by Electron Capture Dissociation

Science.gov (United States)

Schennach, Moritz; Breuker, Kathrin

2015-07-01

The established methods for the study of atom-detailed protein structure in the condensed phases, X-ray crystallography and nuclear magnetic resonance spectroscopy, have recently been complemented by new techniques by which nearly or fully desolvated protein structures are probed in gas-phase experiments. Electron capture dissociation (ECD) is unique among these as it provides residue-specific, although indirect, structural information. In this Critical Insight article, we discuss the development of ECD for the structural probing of gaseous protein ions, its potential, and limitations.

Comprehensive lipidomic analysis of human plasma using multidimensional liquid- and gas-phase separations: Two-dimensional liquid chromatography-mass spectrometry vs. liquid chromatography-trapped-ion-mobility-mass spectrometry.

Science.gov (United States)

Baglai, Anna; Gargano, Andrea F G; Jordens, Jan; Mengerink, Ynze; Honing, Maarten; van der Wal, Sjoerd; Schoenmakers, Peter J

2017-12-29

Recent advancements in separation science have resulted in the commercialization of multidimensional separation systems that provide higher peak capacities and, hence, enable a more-detailed characterization of complex mixtures. In particular, two powerful analytical tools are increasingly used by analytical scientists, namely online comprehensive two-dimensional liquid chromatography (LC×LC, having a second-dimension separation in the liquid phase) and liquid chromatography-ion mobility-spectrometry (LC-IMS, second dimension separation in the gas phase). The goal of the current study was a general assessment of the liquid-chromatography-trapped-ion-mobility-mass spectrometry (LC-TIMS-MS) and comprehensive two-dimensional liquid chromatography-mass spectrometry (LC×LC-MS) platforms for untargeted lipid mapping in human plasma. For the first time trapped-ion-mobility spectrometry (TIMS) was employed for the separation of the major lipid classes and ion-mobility-derived collision-cross-section values were determined for a number of lipid standards. The general effects of a number of influencing parameters have been inspected and possible directions for improvements are discussed. We aimed to provide a general indication and practical guidelines for the analyst to choose an efficient multidimensional separation platform according to the particular requirements of the application. Analysis time, orthogonality, peak capacity, and an indicative measure for the resolving power are discussed as main characteristics for multidimensional separation systems. Copyright © 2017 Elsevier B.V. All rights reserved.

Moessbauer of phase separation in FeNi multilayers under ion bombardment

Energy Technology Data Exchange (ETDEWEB)

Amaral, L.; Paesano, A.; Brueckman, M.E. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Inst. de Fisica; Scorzelli, R.B.; Dominguez, A.B. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Shinjo, T.; Ono, T.; Hosoito, N. [Kyoto Univ. (Japan). Inst. for Chemical Research

1997-01-01

We investigated the effect of noble gas irradiation (He, Ne, Ar and Xe) on the Fe-Ni multilayers with a very thin modulation and nominal composition in the invar region Fe{sub 0.63} Ni{sub 0.37}. The evaluation of the formation/stability of the Fe-Ni phases formed under irradiation with different ions and doses was followed by conversion electron Moessbauer spectroscopy (CEMS). (author). 21 refs., 4 figs., 2 tabs.; e-mail: scorza at novell.cat.cbpf.br.

Evidence for α-helices in the gas phase: a case study using Melittin from honey bee venom.

Science.gov (United States)

Florance, Hannah V; Stopford, Andrew P; Kalapothakis, Jason M; McCullough, Bryan J; Bretherick, Andrew; Barran, Perdita E

2011-09-07

Gas phase methodologies are increasingly used to study the structure of proteins and peptides. A challenge to the mass spectrometrist is to preserve the structure of the system of interest intact and unaltered from solution into the gas phase. Small peptides are very flexible and can present a number of conformations in solution. In this work we examine Melittin a 26 amino acid peptide that forms the active component of honey bee venom. Melittin is haemolytic and has been shown to form an α-helical tetrameric structure by X-ray crystallography [M. Gribskov et al., The RCSB Protein Data Bank, 1990] and to be helical in high concentrations of methanol. Here we use ion mobility mass spectrometry, molecular dynamics and gas-phase HDX to probe its structure in the gas phase and specifically interrogate whether the helical form can be preserved. All low energy calculated structures possess some helicity. In our experiments we examine the peptide following nano-ESI from solutions with varying methanol content. Ion mobility gives collision cross sections (CCS) that compare well with values found from molecular modelling and from other reported structures, but with inconclusive results regarding the effect of solvent. There is only a slight increase in CCS with charge, showing minimal coloumbically driven unfolding. HDX supports preservation of some helical content into the gas phase and again shows little difference in the exchange rates of species sprayed from different solvents. The [M + 3H](3+) species has two exchanging populations both of which exhibit faster exchange rates than observed for the [M + 2H](2+) species. One interpretation for these results is that the time spent being analysed is sufficient for this peptide to form a helix in the 'ultimate' hydrophobic environment of a vacuum.

Gas-phase chemistry of Mo, Ru, W, and Os metal carbonyl complexes

International Nuclear Information System (INIS)

Wang, Y.; Qin, Z.; Fan, F.L.

2014-01-01

Metal carbonyl complexes were used for studying the gas-phase chemical behavior of Mo, Ru, W and Os isotopes with an on-line low temperature isothermal gas chromatography apparatus. Short-lived Mo and Ru isotopes were produced by a 252 Cf spontaneous fission source. Short-lived nuclides of W and Os were produced using the heavy ion reactions 19 F + 159 Tb and 165 Ho, respectively. Short-lived products were thermalized in a recoil chamber filled with a gas mixture of helium and carbon monoxide. The carbonyls formed were then transported through capillaries to an isothermal chromatography column for study of the adsorption behavior as a function of temperature. On-line isothermal chromatography (IC) experiments on Teflon (PTFE) and quartz surfaces showed that short-lived isotopes of the listed elements can form carbonyl complexes which are very volatile and interact most likely in physical sorption processes. Deduced adsorption enthalpies of Mo and Ru carbonyls were -38 ± 2 kJ/mol and -36 ± 2 kJ/mol, respectively. These values are in good agreement with literature data, partly obtained with different chromatographic techniques. A validation of the applied Monte Carlo model to deduce adsorption enthalpies with Mo isotopes of different half-lives proved the validity of the underlying adsorption model. The investigations using a gas-jet system coupled to a heavy ion accelerator without any preseparator clearly showed the limitations of the approach. The He and CO gas mixture, which was directly added into the chamber, will result in decomposition of CO gas and produce some aerosol particles. After the experiment of 173 W and 179 Os in the heavy ion experiments, the Teflon column was covered by a yellowish deposit; the adsorption enthalpy of W and Os carbonyls could therefore not be properly deduced using Monte Carlo simulations. (orig.)

Ion-Molecule Reaction of Gas-Phase Chromium Oxyanions: CrxOyHz- + H2O

International Nuclear Information System (INIS)

Gianotto, Anita Kay; Hodges, Brittany DM; Benson, Michael Timothy; Harrington, Peter Boves; Appelhans, Anthony David; Olson, John Eric; Groenewold, Gary Steven

2003-01-01

Chromium oxyanions having the general formula CrxOyHz- play a key role in many industrial, environmental, and analytical processes, which motivated investigations of their intrinsic reactivity. Reactions with water are perhaps the most significant, and were studied by generating CrxOyHz- in the gas phase using a quadrupole ion trap secondary ion mass spectrometer. Of the ions in the Cr1OyHz envelope (y = 2, 3, 4; z = 0, 1), only CrO2- was observed to react with H2O, producing the hydrated CrO3H2- at a slow rate (∼0.07% of the ion-molecule collision constant at 310 K). CrO3-, CrO4-, and CrO4H- were unreactive. In contrast, Cr2O4-, Cr2O5-, and Cr2O5H2- displayed a considerable tendency to react with H2O. Cr2O4- underwent sequential reactions with H2O, initially producing Cr2O5H2- at a rate that was ∼7% efficient. Cr2O5H2- then reacted with a second H2O by addition to form Cr2O6H4- (1.8% efficient) and by OH abstraction to form Cr2O6H3- (0.6% efficient). The reactions of Cr2O5- were similar to those of Cr2O5H2-: Cr2O5- underwent addition to form Cr2O6H2- (3% efficient) and OH abstraction to form Cr2O6H- (<1% efficient). By comparison, Cr2O6- was unreactive with H2O, and in fact, no further H2O addition could be observed for any of the Cr2O6Hz- anions. Hartree-Fock ab initio calculations showed that reactive CrxOyHz- species underwent nucleophilic attack by the incoming H2O molecules, which produced an initially formed adduct in which the water O was bound to a Cr center. The experimental and computational studies suggested that Cr2OyHz- species that have bi- or tricoordinated Cr centers are susceptible to attack by H2O; however, when the metal becomes tetracoordinate, reactivity stops. For the Cr2OyHz- anions the lowest energy structures all contained rhombic Cr2O2 rings with pendant O atoms and/or OH groups. The initially formed [Cr2Oy- + H2O] adducts underwent H rearrangement to a gem O atom to produce stable dihydroxy structures. The calculations indicated that

Monitoring of trace chloride ions at different stages of the gas production process

Directory of Open Access Journals (Sweden)

A.Y. El Naggar

2015-01-01

Full Text Available Fifty gas and liquid samples at different stages of Obaiyed gas plant in Egypt were selected and subjected for determining chloride ion and hydrocarbon compositions. The trace levels of chloride in the water extracted from natural gas, condensate, Benfield and glycol samples were achieved using ion chromatograph (IC, electrical, conductivity and potentiometric methods, respectively. The hydrocarbon compositions were analyzed and evaluated using capillary gas chromatography. The chloride ions in natural gas and condensate are a function of water content and their concentration mainly depends on the separation efficiency. Variability in natural gas and condensate compositions seasonally is not an uncommon occurrence. Our aim is monitoring of chloride ion to select and optimize the conditions of sweetening and dehydration regenerators in order to follow and prevent their gradient in gas plant.

Optical Absorptions of Oxygenated Carbon Chain Cations in the Gas Phase

Science.gov (United States)

Hardy, F.-X.; Rice, C. A.; Chakraborty, A.; Fulara, J.; Maier, J. P.

2016-06-01

The gas-phase electronic spectra of linear OC4O+ and a planar C6H2O+ isomer were obtained at a rotational temperature of ≈10 K. Absorption measurements in a 6 K neon matrix were followed by gas-phase observations in a cryogenic radiofrequency ion trap. The origin bands of the 1{}2{{{\\Pi }}}u ≤ftarrow X{}2{{{\\Pi }}}g transition of OC4O+ and the 1{}2A{}2 ≤ftarrow X{}2B1 of HCCC(CO)CCH+ lie at 417.31 ± 0.01 nm and 523.49 ± 0.01 nm, respectively. These constitute the first electronic spectra of oxygenated carbon chain cations studied under conditions that are relevant to the diffuse interstellar bands (DIBs), as both have a visible transition. The recent analysis of the 579.5 nm DIB indicates that small carriers, five to seven heavy atoms, continue to be possible candidates (Huang & Oka 2015). Astronomical implications are discussed regarding this kind of oxygenated molecules.

Development of intense high-energy noble gas ion beams from in-terminal ion injector of tandem accelerator using an ECR ion source

Energy Technology Data Exchange (ETDEWEB)

Matsuda, M., E-mail: matsuda.makoto@jaea.go.jp [Japan Atomic Energy Agency (JAEA), Tokai Research and Development Center, 2-4 Shirakata-shirane, Tokai, Naka, Ibaraki 319-1195 (Japan); Nakanoya, T.; Hanashima, S.; Takeuchi, S. [Japan Atomic Energy Agency (JAEA), Tokai Research and Development Center, 2-4 Shirakata-shirane, Tokai, Naka, Ibaraki 319-1195 (Japan)

2011-10-21

An ECRIS-based heavy ion injector was constructed in the high-voltage terminal of JAEA-Tokai Tandem Accelerator to develop new beam species of highly charged noble gas ions. This work was associated with a lot of development to operate the ion source on the 20UR Pelletron high voltage terminal in high pressure SF{sub 6} gas environment. Highly charged ions of N, O, Ne, Ar, Kr and Xe have been accelerated satisfactorily. Operating data integrated during many years long beam delivery service are summarized.

Origin of Asymmetric Charge Partitioning in the Dissociation of Gas-Phase Protein Homodimers

OpenAIRE

Jurchen, John C.; Williams, Evan R.

2003-01-01

The origin of asymmetric charge and mass partitioning observed for gas-phase dissociation of multiply charged macromolecular complexes has been hotly debated. These experiments hold the potential to provide detailed information about the interactions between the macromolecules within the complex. Here, this unusual phenomenon of asymmetric charge partitioning is investigated for several protein homodimers. Asymmetric charge partitioning in these ions depends on a number of factors, including ...

Geometric Phases for Mixed States in Trapped Ions

International Nuclear Information System (INIS)

Lu Hongxia

2006-01-01

The generalization of geometric phase from the pure states to the mixed states may have potential applications in constructing geometric quantum gates. We here investigate the mixed state geometric phases and visibilities of the trapped ion system in both non-degenerate and degenerate cases. In the proposed quantum system, the geometric phases are determined by the evolution time, the initial states of trapped ions, and the initial states of photons. Moreover, special periods are gained under which the geometric phases do not change with the initial states changing of photon parts in both non-degenerate and degenerate cases. The high detection efficiency in the ion trap system implies that the mixed state geometric phases proposed here can be easily tested.

Heavy-Ion-Induced Electronic Desorption of Gas from Metals

CERN Document Server

Molvik, A W; Mahner, E; Kireeff Covo, M; Bellachioma, M C; Bender, M; Bieniosek, F M; Hedlund, E; Krämer, A; Kwan, J; Malyshev, O B; Prost, L; Seidl, P A; Westenskow, G; Westerberg, L

2007-01-01

During heavy-ion operation in several particle accelerators worldwide, dynamic pressure rises of orders of magnitude were triggered by lost beam ions that bombarded the vacuum chamber walls. This ion-induced molecular desorption, observed at CERN, GSI, and BNL, can seriously limit the ion beam lifetime and intensity of the accelerator. From dedicated test stand experiments we have discovered that heavy-ion-induced gas desorption scales with the electronic energy loss (dEe/dx) of the ions slowing down in matter; but it varies only little with the ion impact angle, unlike electronic sputtering.

Gaz Phase IR and UV Spectroscopy of Neutral Contact Ion Pairs

Science.gov (United States)

Habka, Sana; Brenner, Valerie; Mons, Michel; Gloaguen, Eric

2016-06-01

Cations and anions, in solution, tend to pair up forming ion pairs. They play a crucial role in many fundamental processes in ion-concentrated solutions and living organisms. Despite their importance and vast applications in physics, chemistry and biochemistry, they remain difficult to characterize namely because of the coexistence of several types of pairing in solution. However, an interesting alternative consists in applying highly selective gas phase spectroscopy which can offer new insights on these neutral ion pairs. Our study consists in characterizing contact ion pairs (CIPs) in isolated model systems (M+, Ph-(CH2)n-COO- with M=Li, Na, K, Rb, Cs, and n=1-3), to determine their spectral signatures and compare them to ion pairs in solution. We have used laser desorption to vaporize a solid tablet containing the desired salt. Structural information for each system was obtained by mass-selective, UV and IR laser spectroscopy combined with high level quantum chemistry calculations1. Evidence of the presence of neutral CIPs was found by scanning the π-π* transition of the phenyl ring using resonant two-photon ionization (R2PI). Then, conformational selective IR/UV double resonance spectra were recorded in the CO2- stretch region for each conformation detected. The good agreement between theoretical data obtained at the BSSE-corrected-fullCCSD(T)/dhf-TZVPP//B97-D3/dhf-TZVPP level and experimental IR spectra led us to assign the 3D structure for each ion pair formed. Spectral signatures of (M+, Ph-CH2-COO-) pairs, were assigned to a bidentate CIPs between the alkali cation and the carboxylate group. In the case of (Li+, Ph-(CH2)3-COO-) pairs, the presence of a flexible side chain promotes a cation-π interaction leading to a tridentate O-O-π structure with its unique IR and UV signatures. IR spectra obtained on isolated CIPs were found very much alike the ones published on lithium and sodium acetate in solution2. However, in the case of sodium acetate, solution

Development of a gas-phase field ionization ion source

International Nuclear Information System (INIS)

Allan, G.L.; Legge, G.J.F.

1983-01-01

A field ionization ion source has been developed to investigate the suitability of using such a source with the Melbourne Proton Microprobe. Operating parameters have been measured, and the source has been found to be brighter than the radiofrequency ion source presently used in the Melbourne 5U Pelletron Accelerator. Improvements to the source geometry to increase the current output are planned

Transferring pharmaceuticals into the gas phase

Science.gov (United States)

Christen, Wolfgang; Krause, Tim; Rademann, Klaus

2008-11-01

The dissolution of molecules of biological interest in supercritical carbon dioxide is investigated using pulsed molecular beam mass spectrometry. Due to the mild processing temperatures of most supercritical fluids, their adiabatic expansion into vacuum permits to transfer even thermally very sensitive substances into the gas phase, which is particularly attractive for pharmaceutical and biomedical applications. In addition, supercritical CO2constitutes a chemically inert solvent that is compatible with hydrocarbon-free ultrahigh vacuum conditions. Here, we report on the dissolution and pulsed supersonic jet expansion of caffeine (C8H10N4O2), the provitamin menadione (C11H8O2), and the amino acid derivative l-phenylalanine tert-butyl ester hydrochloride (C6H5CH2CH(NH2)COOC(CH3)3[dot operator]HCl), into vacuum. An on-axis residual gas analyzer is used to monitor the relative amounts of solute and solvent in the molecular beam as a function of solvent densityE The excellent selectivity and sensitivity provided by mass spectrometry permits to probe even trace amounts of solutes. The strong density variation of CO2 close to the critical point results in a pronounced pressure dependence of the relative ion currents of solute and solvent molecules, reflecting a substantial change in solubility.

Xenon gas field ion source from a single-atom tip

Science.gov (United States)

Lai, Wei-Chiao; Lin, Chun-Yueh; Chang, Wei-Tse; Li, Po-Chang; Fu, Tsu-Yi; Chang, Chia-Seng; Tsong, T. T.; Hwang, Ing-Shouh

2017-06-01

Focused ion beam (FIB) systems have become powerful diagnostic and modification tools for nanoscience and nanotechnology. Gas field ion sources (GFISs) built from atomic-size emitters offer the highest brightness among all ion sources and thus can improve the spatial resolution of FIB systems. Here we show that the Ir/W(111) single-atom tip (SAT) can emit high-brightness Xe+ ion beams with a high current stability. The ion emission current versus extraction voltage was analyzed from 150 K up to 309 K. The optimal emitter temperature for maximum Xe+ ion emission was ˜150 K and the reduced brightness at the Xe gas pressure of 1 × 10-4 torr is two to three orders of magnitude higher than that of a Ga liquid metal ion source, and four to five orders of magnitude higher than that of a Xe inductively coupled plasma ion source. Most surprisingly, the SAT emitter remained stable even when operated at 309 K. Even though the ion current decreased with increasing temperature, the current at room temperature (RT) could still reach over 1 pA when the gas pressure was higher than 1 × 10-3 torr, indicating the feasibility of RT-Xe-GFIS for application to FIB systems. The operation temperature of Xe-SAT-GFIS is considerably higher than the cryogenic temperature required for the helium ion microscope (HIM), which offers great technical advantages because only simple or no cooling schemes can be adopted. Thus, Xe-GFIS-FIB would be easy to implement and may become a powerful tool for nanoscale milling and secondary ion mass spectroscopy.

Studies of matrix diffusion in gas phase

International Nuclear Information System (INIS)

Hartikainen, K.; Timonen, J.; Vaeaetaeinen, K.; Pietarila, H.

1994-03-01

The diffusion of solutes from fractures into rock matrix is an important factor in the safety analysis of disposal of radioactive waste. Laboratory measurements are needed to complement field investigations for a reliable determination of the necessary transport parameters. Measurements of diffusion coefficients in tight rock samples are usually time consuming because the diffusion processes are slow. On the other hand it is well known that diffusion coefficients in the gas phase are roughly four orders of magnitude larger than those in the liquid phase. Therefore, for samples whose structures do not change much upon drying, it is possible to estimate the diffusion properties of the liquid phase when the properties of the gas phase are known. Advantages of the gas method are quick and easy measurements. In the measurements nitrogen was used as the carrier gas and helium as the tracer gas, and standard techniques have been used for helium detection. Techniques have been developed for both channel flow and through-diffusion measurements. The breakthrough curves have been measured in every experiment and all measurements have been modelled by using appropriate analytical models. As a result matrix porosities and effective diffusion coefficients in the gas phase have been determined. (12 refs., 21 figs., 6 tabs.)

Dependence of energy per molecule on sputtering yields with reactive gas cluster ions

International Nuclear Information System (INIS)

Toyoda, Noriaki; Yamada, Isao

2010-01-01

Gas cluster ions show dense energy deposition on a target surface, which result in the enhancement of chemical reactions. In reactive sputtering with gas cluster ions, the energy per atom or molecule plays an important role. In this study, the average cluster size (N, the number of atoms or molecules in a cluster ion) was controlled; thereby the dependences of the energy per molecule on the sputtering yields of carbon by CO 2 cluster ions and that of Si by SF 6 /Ar mixed gas cluster ions were investigated. Large CO 2 cluster ions with energy per molecule of 1 eV showed high reactive sputtering yield of an amorphous carbon film. However, these ions did not cause the formation of large craters on a graphite surface. It is possible to achieve very low damage etching by controlling the energy per molecule of reactive cluster ions. Further, in the case of SF 6 /Ar mixed cluster ions, it was found that reactive sputtering was enhanced when a small amount of SF 6 gas (∼10%) was mixed with Ar. The reactive sputtering yield of Si by one SF 6 molecule linearly increased with the energy per molecule.

Intentions of fast noble gas ions with clean and with oxidized monocrystalline copper surfaces

International Nuclear Information System (INIS)

Wit, A.G.J. de.

1979-01-01

The thesis reports investigations concerning the distorted shape of the energy distribution of scattered noble gas ions, and investigations of angular distributions of these ions where a quantitative interpretation is less hampered by preferential neutralization. Low energy noble gas ion scattering is used to study the interactions between oxygen gas and Cu(110) surfaces. (Auth.)

The coupling effect of gas-phase chemistry and surface reactions on oxygen permeation and fuel conversion in ITM reactors

KAUST Repository

Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

2015-01-01

© 2015 Elsevier B.V. The effect of the coupling between heterogeneous catalytic reactions supported by an ion transport membrane (ITM) and gas-phase chemistry on fuel conversion and oxygen permeation in ITM reactors is examined. In ITM reactors

Comprehensive Analysis of the Gas- and Particle-Phase Products of VOC Oxidation

Science.gov (United States)

Bakker-Arkema, J.; Ziemann, P. J.

2017-12-01

Controlled environmental chamber studies are important for determining atmospheric reaction mechanisms and gas and aerosol products formed in the oxidation of volatile organic compounds (VOCs). Such information is necessary for developing detailed chemical models for use in predicting the atmospheric fate of VOCs and also secondary organic aerosol (SOA) formation. However, complete characterization of atmospheric oxidation reactions, including gas- and particle-phase product yields, and reaction branching ratios, are difficult to achieve. In this work, we investigated the reactions of terminal and internal alkenes with OH radicals in the presence of NOx in an attempt to fully characterize the chemistry of these systems while minimizing and accounting for the inherent uncertainties associated with environmental chamber experiments. Gas-phase products (aldehydes formed by alkoxy radical decomposition) and particle-phase products (alkyl nitrates, β-hydroxynitrates, dihydroxynitrates, 1,4-hydroxynitrates, 1,4-hydroxycarbonyls, and dihydroxycarbonyls) formed through pathways involving addition of OH to the C=C double bond as well as H-atom abstraction were identified and quantified using a suite of analytical techniques. Particle-phase products were analyzed in real time with a thermal desorption particle beam mass spectrometer; and off-line by collection onto filters, extraction, and subsequent analysis of functional groups by derivatization-spectrophotometric methods developed in our lab. Derivatized products were also separated by liquid chromatography for molecular quantitation by UV absorbance and identification using chemical ionization-ion trap mass spectrometry. Gas phase aldehydes were analyzed off-line by collection onto Tenax and a 5-channel denuder with subsequent analysis by gas chromatography, or by collection onto DNPH-coated cartridges and subsequent analysis by liquid chromatography. The full product identification and quantitation, with careful

Ion-selective solid-phase electrode sensitive to ammonium ions

International Nuclear Information System (INIS)

Vlasov, Yu.G.; Milonova, M.S.; Antonov, P.P.; Bychkov, E.A.; Ehfa, A.Ya.

1983-01-01

Ammonium phosphomolybdate is investigated for the purpose of using it as membrane material of ammonium-selective solid-phase electrodes. Estimation of proton mobility and ion conductivity of ammonium phosphomolybdate is performed

Effect of the gas mixing technique on the production efficiency of ion beams extracted from an electron cyclotron resonance ion source

International Nuclear Information System (INIS)

Tarvainen, O.; Suominen, P.; Koivisto, H.

2004-01-01

In this work the effect of gas mixing on the production efficiency of ion beams extracted from an ECR ion source has been studied with the JYFL 6.4 GHz electron cyclotron resonance ion source (ECRIS). It was found that the gas mixing affects strongly the confinement of ions in the plasma of the ECRIS. The information obtained can be used to minimize the consumption of expensive materials or isotopes and to reduce contamination of the plasma chamber. It was observed that the carbon contamination, which is built up when the MIVOC method is used could be decreased with the aid of the gas mixing technique. The best mixing gas for this purpose was found to be oxygen

Ion swarm data for electrical discharge modeling in air and flue gas mixtures

International Nuclear Information System (INIS)

Nelson, D.; Benhenni, M.; Eichwald, O.; Yousfi, M.

2003-01-01

The first step of this work is the determination of the elastic and inelastic ion-molecule collision cross sections for the main ions (N 2 + , O 2 + , CO 2 + , H 2 O + and O - ) usually present either in the air or flue gas discharges. The obtained cross section sets, given for ion kinetic energies not exceeding 100 eV, correspond to the interactions of each ion with its parent molecule (symmetric case) or nonparent molecule (asymmetric case). Then by using these different cross section sets, it is possible to obtain the ion swarm data for the different gas mixtures involving N 2 , CO 2 , H 2 O and O 2 molecules whatever their relative proportions. These ion swarm data are obtained from an optimized Monte Carlo method well adapted for the ion transport in gas mixtures. This also allows us to clearly show that the classical linear approximations usually applied for the ion swarm data in mixtures such as Blanc's law are far to be valid. Then, the ion swarm data are given in three cases of gas mixtures: a dry air (80% N 2 , 20% O 2 ), a ternary gas mixture (82% N 2 , 12% CO 2 , 6% O 2 ) and a typical flue gas (76% N 2 , 12% CO 2 , 6% O 2 , 6% H 2 O). From these reliable ion swarm data, electrical discharge modeling for a wire to plane electrode configuration has been carried out in these three mixtures at the atmospheric pressure for different applied voltages. Under the same discharge conditions, large discrepancies in the streamer formation and propagation have been observed in these three mixture cases. They are due to the deviations existing not only between the different effective electron-molecule ionization rates but also between the ion transport properties mainly because of the presence of a highly polar molecule such as H 2 O. This emphasizes the necessity to properly consider the ion transport in the discharge modeling

Pulsed gas feed to the ion source

International Nuclear Information System (INIS)

Tanaka, Shigeru; Shibata, Takemasa

1976-11-01

Hydrogen gas feed to the ion source of a neutral beam injector for the JFT-2 tokamak has been pulsed by a set of gas reservoir, solenoid valve and variable leak. During the pulse width the flow rate is constant except for its initial overshoot. After detailed study of the temporal behaviour, the solenoid valve and variable leak were replaced with a piezo-electric valve, resulting in improvement of the rise and decay. (auth.)

Analysis of the physical atomic forces between noble gas atoms, alkali ions and halogen ions

Science.gov (United States)

Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

1986-01-01

The physical forces between atoms and molecules are important in a number of processes of practical importance, including line broadening in radiative processes, gas and crystal properties, adhesion, and thin films. The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base for the dispersion forces is developed from the literature based on evaluations with the harmonic oscillator dispersion model for higher order coefficients. The Zener model of the repulsive core is used in the context of the recent asymptotic wave functions of Handler and Smith; and an effective ionization potential within the Handler and Smith wave functions is defined to analyze the two body potential data of Waldman and Gordon, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

Feed gas contaminant control in ion transport membrane systems

Science.gov (United States)

Carolan, Michael Francis [Allentown, PA; Minford, Eric [Laurys Station, PA; Waldron, William Emil [Whitehall, PA

2009-07-07

Ion transport membrane oxidation system comprising an enclosure having an interior and an interior surface, inlet piping having an internal surface and adapted to introduce a heated feed gas into the interior of the enclosure, and outlet piping adapted to withdraw a product gas from the interior of the enclosure; one or more planar ion transport membrane modules disposed in the interior of the enclosure, each membrane module comprising mixed metal oxide material; and a preheater adapted to heat a feed gas to provide the heated feed gas to the inlet piping, wherein the preheater comprises an interior surface. Any of the interior surfaces of the enclosure, the inlet piping, and the preheater may be lined with a copper-containing metal lining. Alternatively, any of the interior surfaces of the inlet piping and the preheater may be lined with a copper-containing metal lining and the enclosure may comprise copper.

Gas-Phase Thermolyses

DEFF Research Database (Denmark)

Carlsen, Lars; Egsgaard, Helge

1982-01-01

The unimolecular gas-phase thermolyses of the four methyl and ethyl monothioacetates (5)–(8) have been studied by the flash vacuum thermolysis–field ionization mass spectrometry technique in the temperature range 883–1 404 K. The types of reactions verified were keten formation, thiono–thiolo rea...

Note: Buffer gas temperature inhomogeneities and design of drift-tube ion mobility spectrometers: Warnings for real-world applications by non-specialists

Science.gov (United States)

Fernandez-Maestre, R.

2017-09-01

Ion mobility spectrometry (IMS) separates gas phase ions moving under an electric field according to their size-to-charge ratio. IMS is the method of choice to detect illegal drugs and explosives in customs and airports making accurate determination of reduced ion mobilities (K0) important for national security. An ion mobility spectrometer with electrospray ionization coupled to a quadrupole mass spectrometer was used to study uncertainties in buffer gas temperatures during mobility experiments. Differences up to 16°C were found in the buffer gas temperatures in different regions of the drift tube and up to 42°C between the buffer gas and the drift tube temperatures. The drift tube temperature is used as an approximation to the buffer gas temperature for the calculation of K0 because the buffer gas temperature is hard to measure. This is leading to uncertainties in the determination of K0 values. Inaccurate determination of K0 values yields false positives that delay the cargo and passengers in customs and airports. Therefore, recommendations are issued for building mobility tubes to assure a homogeneous temperature of the buffer gas. Because the temperature and other instrumental parameters are difficult to measure in IMS, chemical standards should always be used when calculating K0. The difference of 42°C between the drift tube and buffer gas temperatures found in these experiments produces a 10.5% error in the calculation of K0. This large inaccuracy in K0 shows the importance of a correct temperature measurement in IMS.

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.

FORTRAN program for calculating liquid-phase and gas-phase thermal diffusion column coefficients

International Nuclear Information System (INIS)

Rutherford, W.M.

1980-01-01

A computer program (COLCO) was developed for calculating thermal diffusion column coefficients from theory. The program, which is written in FORTRAN IV, can be used for both liquid-phase and gas-phase thermal diffusion columns. Column coefficients for the gas phase can be based on gas properties calculated from kinetic theory using tables of omega integrals or on tables of compiled physical properties as functions of temperature. Column coefficients for the liquid phase can be based on compiled physical property tables. Program listings, test data, sample output, and users manual are supplied for appendices

Tandem differential mobility analysis-mass spectrometry reveals partial gas-phase collapse of the GroEL complex.

Science.gov (United States)

Hogan, Christopher J; Ruotolo, Brandon T; Robinson, Carol V; Fernandez de la Mora, Juan

2011-04-07

A parallel-plate differential mobility analyzer and a time-of-flight mass spectrometer (DMA-MS) are used in series to measure true mobility in dry atmospheric pressure air for mass-resolved electrosprayed GroEL tetradecamers (14-mers; ~800 kDa). Narrow mobility peaks are found (2.6-2.9% fwhm); hence, precise mobilities can be obtained for these ions without collisional activation, just following their generation by electrospray ionization. In contrast to previous studies, two conformers are found with mobilities (Z) differing by ~5% at charge state z ~ 79. By extrapolating to small z, a common mobility/charge ratio Z(0)/z = 0.0117 cm(2) V(-1) s(-1) is found for both conformers. When interpreted as if the GroEL ion surface were smooth and the gas molecule-protein collisions were perfectly elastic and specular, this mobility yields an experimental collision cross section, Ω, 11% smaller than in an earlier measurement, and close to the cross section, A(C,crystal), expected for the crystal structure (determined by a geometric approximation). However, the similarity between Ω and A(C,crystal) does not imply a coincidence between the native and gas-phase structures. The nonideal nature of protein-gas molecule collisions introduces a drag enhancement factor, ξ = 1.36, with which the true cross section A(C) is related to Ω via A(C) = Ω/ξ. Therefore, A(C) for GroEL 14-mer ions determined by DMA measurements is 0.69A(C,crystal). The factor 1.36 used here is based on the experimental Stokes-Millikan equation, as well as on prior and new numerical modeling accounting for multiple scattering events via exact hard-sphere scattering calculations. Therefore, we conclude that the gas-phase structure of the GroEL complex as electrosprayed is substantially more compact than the corresponding X-ray crystal structure.

Gas flow headspace liquid phase microextraction.

Science.gov (United States)

Yang, Cui; Qiu, Jinxue; Ren, Chunyan; Piao, Xiangfan; Li, Xifeng; Wu, Xue; Li, Donghao

2009-11-06

There is a trend towards the use of enrichment techniques such as microextraction in the analysis of trace chemicals. Based on the theory of ideal gases, theory of gas chromatography and the original headspace liquid phase microextraction (HS-LPME) technique, a simple gas flow headspace liquid phase microextraction (GF-HS-LPME) technique has been developed, where the extracting gas phase volume is increased using a gas flow. The system is an open system, where an inert gas containing the target compounds flows continuously through a special gas outlet channel (D=1.8mm), and the target compounds are trapped on a solvent microdrop (2.4 microL) hanging on the microsyringe tip, as a result, a high enrichment factor is obtained. The parameters affecting the enrichment factor, such as the gas flow rate, the position of the microdrop, the diameter of the gas outlet channel, the temperatures of the extracting solvent and of the sample, and the extraction time, were systematically optimized for four types of polycyclic aromatic hydrocarbons. The results were compared with results obtained from HS-LPME. Under the optimized conditions (where the extraction time and the volume of the extracting sample vial were fixed at 20min and 10mL, respectively), detection limits (S/N=3) were approximately a factor of 4 lower than those for the original HS-LPME technique. The method was validated by comparison of the GF-HS-LPME and HS-LPME techniques using data for PAHs from environmental sediment samples.

Unexpected mobility of OH+ and OD+ molecular ions in cooled helium gas

International Nuclear Information System (INIS)

Isawa, R; Yamazoe, J; Tanuma, H; Ohtsuki, K

2012-01-01

Mobilities of OH + and OD + ions in cooled helium gas have been measured at gas temperature of 4.3 K. Measured mobilities of both ions as a function of an effective temperature T eff show a minimum around 80 K, and they are approaching to the polarization limits at very low T eff . These findings will be related to the extremely strong anisotropy of the interaction potential between the molecular ion and helium atom.

Effect of isotopic substitution upon the gas phase and solution electron affinities of nitrobenzene

International Nuclear Information System (INIS)

Stevenson, G.R.; Reiter, R.C.; Espe, M.E.; Bartmess, J.E.

1987-01-01

Ion cyclotron resonance and electron spin resonance have been utilized to determine the equilibrium constant for the electron transfer from the nitrobenzene anion radical to 15 N labeled nitrobenzene (Ph 14 NO 2 - + Ph 15 NO 2 ↔ Ph 14 NO 2 + Ph 15 NO 2 9 . It was found that the equilibrium constant is within experimental error of unity at 305 K. Molecular orbital calculations indicate that this might be accounted for by the shortening of the C-N bond and a counterbalancing lengthening of the N-O bonds upon electron attachment to nitrobenzene. An equilibrium constant that is much larger than unity can be observed in liquid ammonia at 208 K when K + serves as the gegenion (K/sub eq/ = 2.1). However, when Na + serves as the gegenion, the solution electron affinity of Ph 14 NO 2 is greater than that of Ph 15 NO 2 (K/sub eq/ = 0.4). These results are explained in terms of ion association. When the hydrogen atoms are replaced with deuteriums, the gas phase electron affinity is decreased. A similar decrease is observed in liquid ammonia. In the gas phase this is attributed to the slight lengthening of all the C-H bonds upon electron attachment

Spin polarization of a magnetic electron gas induced by a van Vleck ion

International Nuclear Information System (INIS)

Palermo, L.; Silva, X.A. do

1978-11-01

The mutual polarization of a magnetic electron gas and a van Vleck ion, interacting via exchange, are theoretically investigated using the double-time Green function method. A pair of equations describing the dynamics of the electron gas and the ion are conveniently decoupled and an analytic expression for the electron gas polarization, which depends on the square of the exchange parameter, is obtained. Besides a RKKY-like term, a new term associated to the process of formation of the magnetic moment of the ion appears [pt

The coupling effect of gas-phase chemistry and surface reactions on oxygen permeation and fuel conversion in ITM reactors

KAUST Repository

Hong, Jongsup

2015-08-01

© 2015 Elsevier B.V. The effect of the coupling between heterogeneous catalytic reactions supported by an ion transport membrane (ITM) and gas-phase chemistry on fuel conversion and oxygen permeation in ITM reactors is examined. In ITM reactors, thermochemical reactions take place in the gas-phase and on the membrane surface, both of which interact with oxygen permeation. However, this coupling between gas-phase and surface chemistry has not been examined in detail. In this study, a parametric analysis using numerical simulations is conducted to investigate this coupling and its impact on fuel conversion and oxygen permeation rates. A thermochemical model that incorporates heterogeneous chemistry on the membrane surface and detailed chemical kinetics in the gas-phase is used. Results show that fuel conversion and oxygen permeation are strongly influenced by the simultaneous action of both chemistries. It is shown that the coupling somewhat suppresses the gas-phase kinetics and reduces fuel conversion, both attributed to extensive thermal energy transfer towards the membrane which conducts it to the air side and radiates to the reactor walls. The reaction pathway and products, in the form of syngas and C2 hydrocarbons, are also affected. In addition, the operating regimes of ITM reactors in which heterogeneous- or/and homogeneous-phase reactions predominantly contribute to fuel conversion and oxygen permeation are elucidated.

Gas-phase isotope fractionation factor for the proton-bound dimer of the ethoxide

International Nuclear Information System (INIS)

Ellenberger, M.R.; Farneth, W.E.; Dixon, D.A.

1981-01-01

The gas-phase isotope fractionation factor, phi/sub gp/, for A 2 L - where A = EtO and L = H or D has been measured by using ion cyclotron resonance spectroscopy. Two approaches to the formation of the A 2 L - dimers are presented. The value for phi/sub gp/ is 0.46 +- 0.1. This low value for phi/sub gp/ is consistent with motion of a proton in a potential with a small central maximum or no maximum

Mechanistic Study of the Gas-Phase In-Source Hofmann Elimination of Doubly Quaternized Cinchona-Alkaloid Based Phase-Transfer Catalysts by (+)-Electrospray Ionization/Tandem Mass Spectrometry

Science.gov (United States)

Yang, Rong-Sheng; Sheng, Huaming; Lexa, Katrina W.; Sherer, Edward C.; Zhang, Li-Kang; Xiang, Bangping; Helmy, Roy; Mao, Bing

2017-03-01

An unusual in-source fragmentation pattern observed for 14 doubly quaternized cinchona alkaloid-based phase-transfer catalysts (PTC) was studied using (+)-ESI high resolution mass spectrometry. Loss of the substituted benzyl cation (R1 or R2) was found to be the major product ion [M2+ - R1 + or R2 +]+ in MS spectra of all PTC compounds. A Hofmann elimination product ion [M - H]+ was also observed. Only a small amount of the doubly charged M2+ ions were observed in the MS spectra, likely due to strong Columbic repulsion between the two quaternary ammonium cations in the gas phase. The positive voltage in the MS inlet but not the ESI probe was found to induce this extensive fragmentation for all PTC diboromo-salts. Compound 1 was used as an example to illustrate the proposed in-source fragmentation mechanism. The mechanism of formation of the Hofmann elimination product ion [M - H]+ was further investigated using HRMS/MS, H/D exchange, and DFT calculations. The proposed formation of 2b as the major Hofmann elimination product ion was supported both by HRMS/MS and DFT calculations. Formation of product ion 2b through a concerted unimolecular Ei elimination pathway is proposed rather than a bimolecular E2 elimination pathway for common solution Hofmann eliminations.

Gas-Phase Thermolyses

DEFF Research Database (Denmark)

Carlsen, Lars; Egsgaard, Helge

1982-01-01

The unimolecular gas-phase thermolyses of 1,2,3-oxadithiolan 2-oxide and thiiran 1-oxide have been studied by the flash vacuum thermolysis–field ionization mass spectrometry (f.v.t.–f.i.m.s.) technique in the temperature range from 1 043 to 1 404 K. The reactions are rationalized in terms of sulp...

Noncovalent Halogen Bonding as a Mechanism for Gas-Phase Clustering

DEFF Research Database (Denmark)

Wegeberg, Christina; Donald, William A.; McKenzie, Christine

2017-01-01

in the crystalline phases of PhIO2 and its derivatives serve as models for the structures of larger gas-phase clusters, and calculations on simple model gas-phase dimer and trimer clusters result in similar motifs. This is the first account of halogen bonding playing an extensive role in gas-phase associations....

The Gas-Phase Photophysics of Eosin Y and its Maleimide Conjugate.

Science.gov (United States)

Daly, Steven; Kulesza, Alexander; Knight, Geoffrey; MacAleese, Luke; Antoine, Rodolphe; Dugourd, Philippe

2016-05-26

The use of the xanthene family of dyes as fluorescent probes in a wide range of applications has provided impetus for the studying of their photophysical properties. In particular, recent advances in gas-phase techniques such as FRET that utilize such chromophores have placed a greater importance on the characterization of these properties in the gas phase. Additionally, the use of synthetic linker chains to graft the chromophores in a site-specific manner to their target system is ubiquitous. There is, however, often limited information on how the addition of such a linker chain may affect the photophysical properties of the chromophores, which is of fundamental importance for interpretation of experimental data reliant on grafted chromophores. Here, we present data on the optical spectroscopy of different protonation states of Eosin Y, a fluorescein derivative. We compare the photophysics of Eosin Y to its maleimide conjugate, and to the thioether product of the reaction of this conjugate with cysteamine. Comparison of the mass spectra following laser irradiation shows that very different relaxation takes place upon addition of the maleimide moiety but that the photophysics of the bare chromophore are restored upon addition of cysteamine. This radical change in the photophysics is interpreted in terms of charge-transfer states, whose energy relative to the S1 ← S0 transition of the chromophore is dependent on the conjugation of the maleimide moiety. We also show that the shape of the absorption band is unchanged in the gas-phase as compared to the solution-phase, showing a maximum with a shoulder toward the blue, and examination of isotope distributions of the isolated ions show that this shoulder cannot be due to the presence of dimers. Consideration of the fluorescence emission spectrum allows a tentative assignment of the shoulder to be due to a vibrational progression with a high Franck-Condon factor.

An Experimental and Computational Study of the Gas-Phase Acidities of the Common Amino Acid Amides.

Science.gov (United States)

Plummer, Chelsea E; Stover, Michele L; Bokatzian, Samantha S; Davis, John T M; Dixon, David A; Cassady, Carolyn J

2015-07-30

Using proton-transfer reactions in a Fourier transform ion cyclotron resonance mass spectrometer and correlated molecular orbital theory at the G3(MP2) level, gas-phase acidities (GAs) and the associated structures for amides corresponding to the common amino acids have been determined for the first time. These values are important because amino acid amides are models for residues in peptides and proteins. For compounds whose most acidic site is the C-terminal amide nitrogen, two ions populations were observed experimentally with GAs that differ by 4-7 kcal/mol. The lower energy, more acidic structure accounts for the majority of the ions formed by electrospray ionization. G3(MP2) calculations predict that the lowest energy anionic conformer has a cis-like orientation of the [-C(═O)NH](-) group whereas the higher energy, less acidic conformer has a trans-like orientation of this group. These two distinct conformers were predicted for compounds with aliphatic, amide, basic, hydroxyl, and thioether side chains. For the most acidic amino acid amides (tyrosine, cysteine, tryptophan, histidine, aspartic acid, and glutamic acid amides) only one conformer was observed experimentally, and its experimental GA correlates with the theoretical GA related to side chain deprotonation.

Dissociation of protonated N-(3-phenyl-2H-chromen-2-ylidene)-benzenesulfonamide in the gas phase: cyclization via sulfonyl cation transfer.

Science.gov (United States)

Wang, Shanshan; Dong, Cheng; Yu, Lian; Guo, Cheng; Jiang, Kezhi

2016-01-15

In the tandem mass spectrometry of protonated N-(3-phenyl-2H-chromen-2-ylidene)benzenesulfonamides, the precursor ions have been observed to undergo gas-phase dissociation via two competing channels: (a) the predominant channel involves migration of the sulfonyl cation to the phenyl C atom and the subsequent loss of benzenesulfinic acid along with cyclization reaction, and (b) the minor one involves dissociation of the precursor ion to give an ion/neutral complex of [sulfonyl cation/imine], followed by decomposition to afford sulfonyl cation or the INC-mediated electron transfer to give an imine radical cation. The proposed reaction channels have been supported by theoretical calculations and D-labeling experiments. The gas-phase cyclization reaction originating from the N- to C-sulfonyl cation transfer has been first reported to the best of our knowledge. For the substituted sulfonamides, the presence of electron-donating groups (R(2) -) at the C-ring effectively facilitates the reaction channel of cyclization reaction, whereas that of electron-withdrawing groups inhibits this pathway. Copyright © 2015 John Wiley & Sons, Ltd.

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.)

Ions and light

CERN Document Server

Bowers, Michael T

2013-01-01

Gas Phase Ion Chemistry, Volume 3: Ions and Light discusses how ions are formed by electron impact, ion-molecule reactions, or electrical discharge. This book discusses the use of light emitted by excited molecules to characterize either the chemistry that formed the excited ion, the structure of the excited ion, or both.Organized into 10 chapters, this volume begins with an overview of the extension of the classical flowing afterglow technique to include infrared and chemiluminescence and laser-induced fluorescence detection. This text then examines the experiments involving molecules that ar

Ion mobility spectrometry

CERN Document Server

Eiceman, GA

2005-01-01

Key Developments for Faster, More Precise Detection Capabilities Driven by the demand for the rapid and advanced detection of explosives, chemical and biological warfare agents, and narcotics, ion mobility spectrometry (IMS) undergone significant refinements in technology, computational capabilities, and understanding of the principles of gas phase ion chemistry and mobility. Beginning with a thorough discussion of the fundamental theories and physics of ion mobility, Ion Mobility Spectrometry, Second Edition describes the recent advances in instrumentation and newly

Basic studies of a gas-jet-coupled ion source for on-line isotope separation

International Nuclear Information System (INIS)

Anderl, R.A.; Novick, V.J.; Greenwood, R.C.

1980-01-01

A hollow-cathode ion source was used in a gas-jet-coupled configuration to produce ion beams of fission products transported to it from a 252 Cf fission source. Solid aerosols of NaCl and Ag were used effectively as activity carriers in the gas-jet system. Flat-plate skimmers provided an effective coupling of the ion source to the gas jet. Ge(Li) spectrometric measurements of the activity deposited on an ion-beam collector relative to that deposited on a pre-skimmer collector were used to obtain separation efficiencies ranging from 0.1% to > 1% for Sr, Y, Tc, Te, Cs, Ba, Ce, Pr, Nd and Sm. The use of CCl 4 as a support gas resulted in a significant enhancement of the alkaline-earth and rare-earth separation efficiencies

Gas-Phase Reactions of Dimethyl Disulfide with Aliphatic Carbanions - A Mass Spectrometry and Computational Study

Science.gov (United States)

Franczuk, Barbara; Danikiewicz, Witold

2018-03-01

Ion-molecule reactions of Me2S2 with a wide range of aliphatic carbanions differing by structure and proton affinity values have been studied in the gas phase using mass spectrometry techniques and DFT calculations. The analysis of the spectra shows a variety of product ions formed via different reaction mechanisms, depending on the structure and proton affinity of the carbanion. Product ions of thiophilic reaction ( m/z 47), SN2 ( m/z 79), and E2 elimination - addition sequence of reactions ( m/z 93) can be observed. Primary products of thiophilic reaction can undergo subsequent SN2 and proton transfer reactions. Gibbs free energy profiles calculated for experimentally observed reactions using PBE0/6-311+G(2d,p) method show good agreement with experimental results. [Figure not available: see fulltext.

Electron backscatter diffraction studies of focused ion beam induced phase transformation in cobalt

Energy Technology Data Exchange (ETDEWEB)

Jones, H.G., E-mail: helen.jones@npl.co.uk [National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Day, A.P. [Aunt Daisy Scientific Ltd, Claremont House, High St, Lydney GL15 5DX (United Kingdom); Cox, D.C. [National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Advanced Technology Institute, University of Surrey, Guildford GU2 7XH (United Kingdom)

2016-10-15

A focused ion beam microscope was used to induce cubic to hexagonal phase transformation in a cobalt alloy, of similar composition to that of the binder phase in a hardmetal, in a controlled manner at 0°, 45° and 80° ion incident angles. The cobalt had an average grain size of ~ 20 μm, allowing multiple orientations to be studied, exposed to a range of doses between 6 × 10{sup 7} and 2 × 10{sup 10} ions/μm{sup 2}. Electron backscatter diffraction (EBSD) was used to determine the original and induced phase orientations, and area fractions, before and after the ion beam exposure. On average, less phase transformation was observed at higher incident angles and after lower ion doses. However there was an orientation effect where grains with an orientation close to (111) planes were most susceptible to phase transformation, and (101) the least, where grains partially and fully transformed at varying ion doses. - Highlights: •Ion-induced phase change in FCC cobalt was observed at multiple incidence angles. •EBSD was used to study the relationship between grain orientation and transformation. •Custom software analysed ion dose and phase change with respect to grain orientation. •A predictive capability of ion-induced phase change in cobalt was enabled.

Power-law distributions for a trapped ion interacting with a classical buffer gas.

Science.gov (United States)

DeVoe, Ralph G

2009-02-13

Classical collisions with an ideal gas generate non-Maxwellian distribution functions for a single ion in a radio frequency ion trap. The distributions have power-law tails whose exponent depends on the ratio of buffer gas to ion mass. This provides a statistical explanation for the previously observed transition from cooling to heating. Monte Carlo results approximate a Tsallis distribution over a wide range of parameters and have ab initio agreement with experiment.

Ion transport membrane module and vessel system with directed internal gas flow

Science.gov (United States)

Holmes, Michael Jerome; Ohrn, Theodore R.; Chen, Christopher Ming-Poh

2010-02-09

An ion transport membrane system comprising (a) a pressure vessel having an interior, an inlet adapted to introduce gas into the interior of the vessel, an outlet adapted to withdraw gas from the interior of the vessel, and an axis; (b) a plurality of planar ion transport membrane modules disposed in the interior of the pressure vessel and arranged in series, each membrane module comprising mixed metal oxide ceramic material and having an interior region and an exterior region; and (c) one or more gas flow control partitions disposed in the interior of the pressure vessel and adapted to change a direction of gas flow within the vessel.

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

Effects of oxygen gas flow rate and ion beam plasma conditions on the opto-electronic properties of indium molybdenum oxide films fabricated by ion beam-assisted evaporation

International Nuclear Information System (INIS)

Kuo, C.C.; Liu, C.C.; Lin, C.C.; Liou, Y.Y.; He, J.L.; Chen, F.S.

2008-01-01

The purpose of the present work is to experimentally study the effects of the oxygen gas flow rate and ion beam plasma conditions on the properties of indium molybdenum oxide (IMO) films deposited onto the polyethersulfone (PES) substrate. Crystal structure, surface morphology, and optoelectronic properties of IMO films are examined as a function of oxygen gas flow rate and ion beam discharge voltage. Experimental results show that the IMO films consist of a cubic bixbyite B-In 2 O 3 single phase with its crystal preferred orientation alone B(222). Mo 6+ ions are therefore considered to partially substitute In 3+ sites in the deposit. Under-controlled ion bombardment during deposition enhances the reaction among those arriving oxygen and metal ion species to condense into IMO film and facilitates a decreased surface roughness of IMO film. The film with ultimate crystallinity and the lowest surface roughness is obtained when the oxygen flow rate of 3 sccm and the discharge voltage of 110 V are employed. This results in the lowest electrical resistivity due mainly to the increased Hall mobility and irrelevant to carrier concentration. The lowest electrical resistivity of 8.63 x 10 -4 ohm-cm with a 84.63% transmittance at a wavelength of 550 nm can be obtained, which satisfies the requirement of a flexible transparent conductive polymer substrate

The gas phase emitter effect of lanthanum within ceramic metal halide lamps and its dependence on the La vapor pressure and operating frequency

Energy Technology Data Exchange (ETDEWEB)

Ruhrmann, C.; Hoebing, T.; Bergner, A.; Groeger, S.; Awakowicz, P.; Mentel, J. [Electrical Engineering and Plasma Technology, Ruhr University Bochum, D-44780 Bochum (Germany); Denissen, C.; Suijker, J. [Philips Lighting, Category Professional Lamps, P.O. Box 80020, NL-5600JM Eindhoven (Netherlands)

2015-08-07

The gas phase emitter effect increases the lamp lifetime by lowering the work function and, with it, the temperature of the tungsten electrodes of metal halide lamps especially for lamps in ceramic vessels due to their high rare earth pressures. It is generated by a monolayer on the electrode surface of electropositive atoms of certain emitter elements, which are inserted into the lamp bulb by metal iodide salts. They are vaporized, dissociated, ionized, and deposited by an emitter ion current onto the electrode surface within the cathodic phase of lamp operation with a switched-dc or ac-current. The gas phase emitter effect of La and the influence of Na on the emitter effect of La are studied by spatially and phase-resolved pyrometric measurements of the electrode tip temperature, La atom, and ion densities by optical emission spectroscopy as well as optical broadband absorption spectroscopy and arc attachment images by short time photography. An addition of Na to the lamp filling increases the La vapor pressure within the lamp considerably, resulting in an improved gas phase emitter effect of La. Furthermore, the La vapor pressure is raised by a heating of the cold spot. In this way, conditions depending on the La vapor pressure and operating frequency are identified, at which the temperature of the electrodes becomes a minimum.

Gas-phase photocatalysis in μ-reactors

DEFF Research Database (Denmark)

Vesborg, Peter Christian Kjærgaard; Olsen, Jakob Lind; Henriksen, Toke Riishøj

2010-01-01

Gas-phase photocatalysis experiments may benefit from the high sensitivity and good time response in product detection offered by μ-reactors. We demonstrate this by carrying out CO oxidation and methanol oxidation over commercial TiO2 photocatalysts in our recently developed high-sensitivity reac......Gas-phase photocatalysis experiments may benefit from the high sensitivity and good time response in product detection offered by μ-reactors. We demonstrate this by carrying out CO oxidation and methanol oxidation over commercial TiO2 photocatalysts in our recently developed high...

Analysis of carbonyl compounds via headspace solid-phase microextraction with on-fiber derivatization and gas chromatographic-ion trap tandem mass spectrometric determination of their O-(2,3,4,5,6-pentafluorobenzyl)oxime derivatives

Energy Technology Data Exchange (ETDEWEB)

Schmarr, Hans-Georg [Dienstleistungszentrum Laendlicher Raum (DLR) Rheinpfalz, Breitenweg 71, D-67435 Neustadt an der Weinstrasse (Germany)], E-mail: hans-georg.schmarr@dlr.rlp.de; Potouridis, Theodoros; Ganss, Sebastian; Sang, Wei; Koepp, Benedikt; Bokuz, Ursula; Fischer, Ulrich [Dienstleistungszentrum Laendlicher Raum (DLR) Rheinpfalz, Breitenweg 71, D-67435 Neustadt an der Weinstrasse (Germany)

2008-06-09

An improved method for the analysis of carbonyls is described utilizing a headspace solid-phase microextraction (HS-SPME) step and on-fiber derivatization with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) hydrochloride. Thermal desorption of the oxime derivatives formed on the fiber is followed by gas chromatographic separation coupled to an ion trap tandem mass spectrometer (GC-ITMS). Selecting specific fragment ions within the electron ionization (EI{sup +}) mass spectra of these oxime derivatives as precursor ions for MS-MS fragmentation provides a suitable method for the target analysis of individual carbonyl classes, such as alkanals, (E)-2-alkenals, (E,E)-2,4-alkadienals, and others. Retention indices on polar as well as on apolar stationary phases along with EI{sup +} mass spectra patterns are presented for a large set of oxime derivatives, giving valuable information needed for unambiguous assignment of substances in complex sample matrices. The fast sample preparation and derivatization step via HS-SPME can be automated and is applicable to a variety of biological samples and foodstuffs, allowing rapid and sensitive screening analyses of important aldehydic biomarkers and aroma active compounds.

Role of isospin in nuclear-matter liquid-gas phase transition; Role de l'isospin dans la transition de phase liquide-gaz de la matiere nucleaire

Energy Technology Data Exchange (ETDEWEB)

Ducoin, C

2006-10-15

Nuclear matter presents a phase transition of the liquid-gas type. This well-known feature is due to the nuclear interaction profile (mean-range attractive, short-range repulsive). Symmetric-nuclear-matter thermodynamics is thus analogous to that of a Van der Waals fluid. The study shows up to be more complex in the case of asymmetric matter, composed of neutrons and protons in an arbitrary proportion. Isospin, which distinguishes both constituents, gives a measure of this proportion. Studying asymmetric matter, isospin is an additional degree of freedom, which means one more dimension to consider in the space of observables. The nuclear liquid-gas transition is associated with the multi-fragmentation phenomenon observed in heavy-ion collisions, and to compact-star physics: the involved systems are neutron rich, so they are affected by the isospin degree of freedom. The present work is a theoretical study of isospin effects which appear in the asymmetric nuclear matter liquid-gas phase transition. A mean-field approach is used, with a Skyrme nuclear effective interaction. We demonstrate the presence of a first-order phase transition for asymmetric matter, and study the isospin distillation phenomenon associated with this transition. The case of phase separation at thermodynamic equilibrium is compared to spinodal decomposition. Finite size effects are addressed, as well as the influence of the electron gas which is present in the astrophysical context. (author)

Laws of phase formation in ion-implanted metals

International Nuclear Information System (INIS)

Kazdaev, H.R.; Abylkhalykova, R.B.; Skakov, M.K.

2004-01-01

Full text: Main laws of ordered structures formation at molybdenum implantation by elements forming phases of introduction (B, C, N, 0, Si, P, S) are discovered in this work. According to them the character of structural and phase transformations in molybdenum at ion implantation is determined not by kinetic parameters of bombarding particles and their chemical activity but by size factor η x/Me (ratio of nuclear radii of introduced elements and atoms of a matrix). At change of its meaning in the certain limits the following can be observed: superstructures formation (η x/Mo x/Mo x/Mo >0.69). In the latter case at the further implantation doze increasing recrystallization of molybdenum monocrystalline layers amorphized during previous bombarding with chemical connection formation takes place, characterized by us as ion-inducted synthesis. The phenomenon discovered on the samples implanted by phosphorus ions. As the result, the high-temperature phase of molybdenum monophosphide MoP having densely situated lattice was synthesized. The complete confirmation of the main laws of structural and phased transformations at ion implantation established by results on molybdenum monocrystals with OCC lattice was achieved at realization of similar researches on the other transitive metal - zirconium which differs from molybdenum according to a number of attributes: a type of an initial lattice structural condition (large scaled polycrystal), presence of interparticle borders and high solubility of atmospheric impurities (nitrogen, carbon, oxygen). The discovered laws have proved to be true also according to ion implanted samples of monocrystal tungsten and polycrystal tantalum

Research and development of ion surfing RF carpets for the cyclotron gas stopper at the NSCL

Energy Technology Data Exchange (ETDEWEB)

Gehring, A.E. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, NM 87544 (United States); Brodeur, M. [University of Notre Dame, Notre Dame, IN (United States); Bollen, G.; Morrissey, D.J.; Schwarz, S. [National Superconducting Cyclotron Laboratory, Michigan State University, 640 S. Shaw Lane, East Lansing, MI 48824 (United States)

2016-06-01

A model device to transport thermal ions in the cyclotron gas stopper, a next-generation beam thermalization device under construction at the National Superconducting Cyclotron Laboratory, is presented. Radioactive ions produced by projectile fragmentation will come to rest at distances as large as 45 cm from the extraction orifice of the cyclotron gas stopper. The thermalized ions will be transported to the exit by RF carpets employing the recently developed “ion surfing” method. A quarter-circle prototype RF carpet was tested with potassium ions, and ion transport velocities as high as 60 m/s were observed over distances greater than 10 cm at a helium buffer gas pressure of 80 mbar. The transport of rubidium ions from an RF carpet to an electrode below was also demonstrated. The results of this study formed the basis of the design of the RF carpets for use in the cyclotron gas stopper.

Gas-phase ion/molecule isotope-exchange reactions: methodology for counting hydrogen atoms in specific organic structural environments by chemical ionization mass spectrometry

International Nuclear Information System (INIS)

Hunt, D.F.; Sethi, S.K.

1980-01-01

Ion/molecule reactions are described which facilitate exchange of hydrogens for deuteriums in a variety of different chemical environments. Aromatic hydrogens in alkylbenzenes, oxygenated benzenes, m-toluidine, m-phenylenediamine, thiophene, and several polycyclic aromatic hydrocarbons and metallocenes are exchanged under positive ion CI conditions by using either D 2 O, EtOD, or ND 3 as the reagent gas. Aromatic hydrogens, benzylic hydrogens, and hydrogens on carbon adjacent to carbonyl groups suffer exchange under negative ion CI conditions in ND 3 , D 2 O, and EtOD, respectively. A possible mechanism for the exchange process is discussed. 1 figure, 2 tables

Theoretical investigation of the long-lived metastable AlO{sup 2+} dication in gas phase

Energy Technology Data Exchange (ETDEWEB)

Sghaier, Onsi [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Abdallah, Hassan H. [Computational Nanotechnology Research Lab. CNRL, Salahaddin University, 44001 Erbil (Iraq); Department of Chemistry, College of Education, Salahaddin University, 44001 Erbil (Iraq); Abdullah, Hewa Y. [Computational Nanotechnology Research Lab. CNRL, Salahaddin University, 44001 Erbil (Iraq); Department of Physics, College of Education, Salahaddin University, 44001 Erbil (Iraq); Jaidane, Nejm Eddine [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications – LSAMA, Université de Tunis, Tunis (Tunisia); Al Mogren, Muneerah Mogren [Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia); Hochlaf, Majdi, E-mail: hochlaf@univ-mlv.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)

2016-09-30

Highlights: • Theoretical investigation of gas-phase molecular species AlO{sup 2+}. • Spectroscopic parameters of this dication in its electronic ground and exited states. • Theoretical double ionization spectrum of AlO. - Abstract: We report the results of a detailed theoretical study of the electronic ground and excited states of the gas-phase doubly charged ion AlO{sup 2+} using high-level ab initio computer calculations. Both standard and explicitly correlated methods were used to calculate their potential energy curves and spectroscopic parameters. These computations show that the ground state of AlO{sup 2+} is X{sup 2}Π. The internuclear equilibrium distance of AlO{sup 2+}(X{sup 2}Π) is computed 1.725 Å. We also deduced the adiabatic double ionization and charge stripping energies of AlO to be about 27.45 eV and 17.80 eV, respectively.

Range of plasma ions in cold cluster gases near the critical point

Energy Technology Data Exchange (ETDEWEB)

Zhang, G. [Cyclotron Institute, Texas A& M University, 77843 College Station, TX (United States); Quevedo, H.J. [Center for High Energy Density Science, C1510, University of Texas at Austin, Austin, TX 78712 (United States); Bonasera, A., E-mail: abonasera@comp.tamu.edu [Cyclotron Institute, Texas A& M University, 77843 College Station, TX (United States); Laboratori Nazionali del Sud-INFN, via S. Sofia 64, 95123 Catania (Italy); Donovan, M.; Dyer, G.; Gaul, E. [Center for High Energy Density Science, C1510, University of Texas at Austin, Austin, TX 78712 (United States); Guardo, G.L. [Laboratori Nazionali del Sud-INFN, via S. Sofia 64, 95123 Catania (Italy); Gulino, M. [Laboratori Nazionali del Sud-INFN, via S. Sofia 64, 95123 Catania (Italy); Libera Universita' Kore, 94100 Enna (Italy); La Cognata, M.; Lattuada, D. [Laboratori Nazionali del Sud-INFN, via S. Sofia 64, 95123 Catania (Italy); Palmerini, S. [Department of Physics and Geology, University of Perugia, Via A. Pascoli, 06123 Perugia (Italy); Istituto Nazionale di Fisica Nucleare, Section of Perugia, Via A. Pascoli, 06123 Perugia (Italy); Pizzone, R.G.; Romano, S. [Laboratori Nazionali del Sud-INFN, via S. Sofia 64, 95123 Catania (Italy); Smith, H. [Center for High Energy Density Science, C1510, University of Texas at Austin, Austin, TX 78712 (United States); Trippella, O. [Department of Physics and Geology, University of Perugia, Via A. Pascoli, 06123 Perugia (Italy); Istituto Nazionale di Fisica Nucleare, Section of Perugia, Via A. Pascoli, 06123 Perugia (Italy); Anzalone, A.; Spitaleri, C. [Laboratori Nazionali del Sud-INFN, via S. Sofia 64, 95123 Catania (Italy); Ditmire, T. [Center for High Energy Density Science, C1510, University of Texas at Austin, Austin, TX 78712 (United States)

2017-05-18

We measure the range of plasma ions in cold cluster gases by using the Petawatt laser at the University of Texas-Austin. The produced plasma propagated in all directions some hitting the cold cluster gas not illuminated by the laser. From the ratio of the measured ion distributions at different angles we can estimate the range of the ions in the cold cluster gas. It is much smaller than estimated using popular models, which take only into account the slowing down of charged particles in uniform matter. We discuss the ion range in systems prepared near a liquid–gas phase transition. - Highlights: • We present experimental results obtained at the UT Petawatt laser facility, Austin, TX. • The ion range is strongly modified for cluster gases as compared to its value in a homogeneous system. • Large fluctuations are found if the cluster gas is prepared near the liquid–gas phase transition region.

Range of plasma ions in cold cluster gases near the critical point

International Nuclear Information System (INIS)

Zhang, G.; Quevedo, H.J.; Bonasera, A.; Donovan, M.; Dyer, G.; Gaul, E.; Guardo, G.L.; Gulino, M.; La Cognata, M.; Lattuada, D.; Palmerini, S.; Pizzone, R.G.; Romano, S.; Smith, H.; Trippella, O.; Anzalone, A.; Spitaleri, C.; Ditmire, T.

2017-01-01

We measure the range of plasma ions in cold cluster gases by using the Petawatt laser at the University of Texas-Austin. The produced plasma propagated in all directions some hitting the cold cluster gas not illuminated by the laser. From the ratio of the measured ion distributions at different angles we can estimate the range of the ions in the cold cluster gas. It is much smaller than estimated using popular models, which take only into account the slowing down of charged particles in uniform matter. We discuss the ion range in systems prepared near a liquid–gas phase transition. - Highlights: • We present experimental results obtained at the UT Petawatt laser facility, Austin, TX. • The ion range is strongly modified for cluster gases as compared to its value in a homogeneous system. • Large fluctuations are found if the cluster gas is prepared near the liquid–gas phase transition region.

Ion mobility spectrometry-mass spectrometry (IMS-MS) for on- and offline analysis of atmospheric gas and aerosol species

Science.gov (United States)

Krechmer, Jordan E.; Groessl, Michael; Zhang, Xuan; Junninen, Heikki; Massoli, Paola; Lambe, Andrew T.; Kimmel, Joel R.; Cubison, Michael J.; Graf, Stephan; Lin, Ying-Hsuan; Budisulistiorini, Sri H.; Zhang, Haofei; Surratt, Jason D.; Knochenmuss, Richard; Jayne, John T.; Worsnop, Douglas R.; Jimenez, Jose-Luis; Canagaratna, Manjula R.

2016-07-01

Measurement techniques that provide molecular-level information are needed to elucidate the multiphase processes that produce secondary organic aerosol (SOA) species in the atmosphere. Here we demonstrate the application of ion mobility spectrometry-mass spectrometry (IMS-MS) to the simultaneous characterization of the elemental composition and molecular structures of organic species in the gas and particulate phases. Molecular ions of gas-phase organic species are measured online with IMS-MS after ionization with a custom-built nitrate chemical ionization (CI) source. This CI-IMS-MS technique is used to obtain time-resolved measurements (5 min) of highly oxidized organic molecules during the 2013 Southern Oxidant and Aerosol Study (SOAS) ambient field campaign in the forested SE US. The ambient IMS-MS signals are consistent with laboratory IMS-MS spectra obtained from single-component carboxylic acids and multicomponent mixtures of isoprene and monoterpene oxidation products. Mass-mobility correlations in the 2-D IMS-MS space provide a means of identifying ions with similar molecular structures within complex mass spectra and are used to separate and identify monoterpene oxidation products in the ambient data that are produced from different chemical pathways. Water-soluble organic carbon (WSOC) constituents of fine aerosol particles that are not resolvable with standard analytical separation methods, such as liquid chromatography (LC), are shown to be separable with IMS-MS coupled to an electrospray ionization (ESI) source. The capability to use ion mobility to differentiate between isomers is demonstrated for organosulfates derived from the reactive uptake of isomers of isoprene epoxydiols (IEPOX) onto wet acidic sulfate aerosol. Controlled fragmentation of precursor ions by collisionally induced dissociation (CID) in the transfer region between the IMS and the MS is used to validate MS peak assignments, elucidate structures of oligomers, and confirm the

Mechanistic Study of the Gas-Phase In-Source Hofmann Elimination of Doubly Quaternized Cinchona-Alkaloid Based Phase-Transfer Catalysts by (+)-Electrospray Ionization/Tandem Mass Spectrometry.

Science.gov (United States)

Yang, Rong-Sheng; Sheng, Huaming; Lexa, Katrina W; Sherer, Edward C; Zhang, Li-Kang; Xiang, Bangping; Helmy, Roy; Mao, Bing

2017-03-01

An unusual in-source fragmentation pattern observed for 14 doubly quaternized cinchona alkaloid-based phase-transfer catalysts (PTC) was studied using (+)-ESI high resolution mass spectrometry. Loss of the substituted benzyl cation (R1 or R2) was found to be the major product ion [M 2+ - R 1 + or R 2 + ] + in MS spectra of all PTC compounds. A Hofmann elimination product ion [M - H] + was also observed. Only a small amount of the doubly charged M 2+ ions were observed in the MS spectra, likely due to strong Columbic repulsion between the two quaternary ammonium cations in the gas phase. The positive voltage in the MS inlet but not the ESI probe was found to induce this extensive fragmentation for all PTC diboromo-salts. Compound 1 was used as an example to illustrate the proposed in-source fragmentation mechanism. The mechanism of formation of the Hofmann elimination product ion [M - H] + was further investigated using HRMS/MS, H/D exchange, and DFT calculations. The proposed formation of 2b as the major Hofmann elimination product ion was supported both by HRMS/MS and DFT calculations. Formation of product ion 2b through a concerted unimolecular E i elimination pathway is proposed rather than a bimolecular E2 elimination pathway for common solution Hofmann eliminations. Graphical Abstract ᅟ.

Modeling the Phase Composition of Gas Condensate in Pipelines

Science.gov (United States)

Dudin, S. M.; Zemenkov, Yu D.; Shabarov, A. B.

2016-10-01

Gas condensate fields demonstrate a number of thermodynamic characteristics to be considered when they are developed, as well as when gas condensate is transported and processed. A complicated phase behavior of the gas condensate system, as well as the dependence of the extracted raw materials on the phase state of the deposit other conditions being equal, is a key aspect. Therefore, when designing gas condensate lines the crucial task is to select the most appropriate methods of calculating thermophysical properties and phase equilibrium of the transported gas condensate. The paper describes a physical-mathematical model of a gas-liquid flow in the gas condensate line. It was developed based on balance equations of conservation of mass, impulse and energy of the transported medium within the framework of a quasi-1D approach. Constitutive relationships are given separately, and practical recommendations on how to apply the research results are provided as well.

Integral Transport Analysis Results for Ions Flowing Through Neutral Gas

Science.gov (United States)

Emmert, Gilbert; Santarius, John

2017-10-01

Results of a computational model for the flow of energetic ions and neutrals through a background neutral gas will be presented. The method models reactions as creating a new source of ions or neutrals if the energy or charge state of the resulting particle is changed. For a given source boundary condition, the creation and annihilation of the various species is formulated as a 1-D Volterra integral equation that can quickly be solved numerically by finite differences. The present work focuses on multiple-pass, 1-D ion flow through neutral gas and a nearly transparent, concentric anode and cathode pair in spherical, cylindrical, or linear geometry. This has been implemented as a computer code for atomic (3He, 3He +, 3He + +) and molecular (D, D2, D-, D +, D2 +, D3 +) ion and neutral species, and applied to modeling inertial-electrostatic connement (IEC) devices. The code yields detailed energy spectra of the various ions and energetic neutral species. Calculations for several University of Wisconsin IEC and ion implantation devices will be presented. Research supported by US Dept. of Homeland Security Grant 2015-DN-077-ARI095, Dept. of Energy Grant DE-FG02-04ER54745, and the Grainger Foundation.

Modeling of gas flow in the simulation of H- ion source

International Nuclear Information System (INIS)

Ogasawara, M.; Okuda, Y.; Shirai, M.; Mitsuhashi, S.; Hatayama, A.

1996-01-01

Actual gas supply into the ion source is modeled. Filling pressure is related to gas flow rate and conductance of the H - extraction system. The rate equation for the H 2 molecule with gas inflow and outflow rates related with the filling pressure are employed in the numerical simulation of a negative hydrogen ion source. With the results of numerical simulation, the H number conservation relation and pressure balance equation are shown to be inaccurate especially for higher electron temperature. Actually for 5 eV of electron temperature, lost H 2 density amounts to 79% and the pressure becomes 5 times the original pressure of 5 mTorr. Even for a low pressure of 3 mTorr, the lost fraction is 67% for 5 eV of the electron temperature. This inaccuracy is large in high power and even for low pressure operation of the ion source. copyright 1996 American Institute of Physics

Concentration characteristics of VOCs and acids/bases in the gas phase and water-soluble ions in the particle phase at an electrical industry park during construction and mass production.

Science.gov (United States)

Tsai, Jiun H; Huang, Yao S; Shieh, Zhu X; Chiang, Hung L

2011-01-01

The electronics industry is a major business in the Central Taiwan Science Park (CTSP). Particulate samples and 11 water-soluble ionic species in the particulate phase were measured by ionic chromatography (IC). Additionally, acid and base gases were sampled by denuder absorption and analyzed by IC. Volatile organic compounds (VOCs) were collected in stainless-steel canisters four times daily and analyzed via gas chromatography/mass spectrometry. Ozone formation potential (OFP) was measured using maximum increment reactivity. In addition, airborne pollutants during (1) construction and (2) mass production were measured. Particulate matter concentration did not increase significantly near the optoelectronic plant during construction, but it was higher than during mass production. SO(2), HNO(2) and NH(3) were the dominant gases in the denuder absorption system. Nitrate, sulfate, and ammonium ions predominated both in PM(2.5) and PM(10-2.5); but calcium ion concentration was significantly higher in PM(10-2.5) samples during construction. Toluene, propane, isopentane, and n-butane may have come from vehicle exhaust. Construction equipment emitted high concentrations of ethylbenzene, m-xylene, p-xylene, o-xylene, 1,2,4-trimethylbenzene, and toluene. During mass production, methyl ethyl ketone), acetone and ethyl acetate were significantly higher than during construction, although there was continuous rain. The aromatic group constituted >50% of the VOC concentration totals and contributed >70% of OFP.

New stable multiply charged negative atomic ions in linearly polarized superintense laser fields

International Nuclear Information System (INIS)

Wei Qi; Kais, Sabre; Moiseyev, Nimrod

2006-01-01

Singly charged negative atomic ions exist in the gas phase and are of fundamental importance in atomic and molecular physics. However, theoretical calculations and experimental results clearly exclude the existence of any stable doubly-negatively-charged atomic ion in the gas phase, only one electron can be added to a free atom in the gas phase. In this report, using the high-frequency Floquet theory, we predict that in a linear superintense laser field one can stabilize multiply charged negative atomic ions in the gas phase. We present self-consistent field calculations for the linear superintense laser fields needed to bind extra one and two electrons to form He - , He 2- , and Li 2- , with detachment energies dependent on the laser intensity and maximal values of 1.2, 0.12, and 0.13 eV, respectively. The fields and frequencies needed for binding extra electrons are within experimental reach. This method of stabilization is general and can be used to predict stability of larger multiply charged negative atomic ions

The smoke ion source: A device for the generation of cluster ions via inert gas condensation

International Nuclear Information System (INIS)

McHugh, K.M.; Sarkas, H.W.; Eaton, J.G.; Bowen, K.H.; Westgate, C.R.

1989-01-01

We report the development of an ion source for generating intense, continuous beams of both positive and negative cluster ions. This device is the result of the marriage of the inert gas condensation method with techniques for injecting electrons directly into expanding jets. In the preliminary studies described here, we have observed cluster ion size distributions ranging from n=1-400 for Pb n + and Pb n - and from n=12-5700 for Li n - . (orig.)

The nuclear liquid gas phase transition and phase coexistence

International Nuclear Information System (INIS)

Chomaz, Ph.

2001-01-01

In this talk we will review the different signals of liquid gas phase transition in nuclei. From the theoretical side we will first discuss the foundations of the concept of equilibrium, phase transition and critical behaviors in infinite and finite systems. From the experimental point of view we will first recall the evidences for some strong modification of the behavior of hot nuclei. Then we will review quantitative detailed analysis aiming to evidence phase transition, to define its order and phase diagram. Finally, we will present a critical discussion of the present status of phase transitions in nuclei and we will draw some lines for future development of this field. (author)

The nuclear liquid gas phase transition and phase coexistence

Energy Technology Data Exchange (ETDEWEB)

Chomaz, Ph

2001-07-01

In this talk we will review the different signals of liquid gas phase transition in nuclei. From the theoretical side we will first discuss the foundations of the concept of equilibrium, phase transition and critical behaviors in infinite and finite systems. From the experimental point of view we will first recall the evidences for some strong modification of the behavior of hot nuclei. Then we will review quantitative detailed analysis aiming to evidence phase transition, to define its order and phase diagram. Finally, we will present a critical discussion of the present status of phase transitions in nuclei and we will draw some lines for future development of this field. (author)

Scattering of low energy noble gas ions from a metal surface

International Nuclear Information System (INIS)

Luitjens, S.B.

1980-01-01

Reflection of low energy (0.1-10 keV) noble gas ions can be used to analyse a solid surface. To study charge exchange processes, the ion fractions of neon and of argon, scattered from a Cu(100) surface, have been determined. (Auth.)

Zwitterionic states in gas-phase polypeptide ions revealed by 157-nm ultra-violet photodissociation

DEFF Research Database (Denmark)

Kjeldsen, Frank; Silivra, Oleg A; Zubarev, Roman A

2006-01-01

carboxylic groups relative to competing COOH losses (45 Da) from neutral carboxylic groups. Loss of CO2 is a strong indication of the presence of a zwitterionic [(+)...(-)...(+)] salt bridge in the gas-phase polypeptide cation. This method provides a tool for studying, for example, the nature of binding...... of the fragment formation should be taken into account. Cations of Trp-cage proteins exist preferentially as zwitterions, with the deprotonation position divided between the Asp9 residue and the C terminus in the ratio 3:2. The majority of dications of the same molecule are not zwitterions. Furthermore, 157-nm...

Measurements of hydrogen gas stopping efficiency for tin ions from laser-produced plasma

Science.gov (United States)

Abramenko, D. B.; Spiridonov, M. V.; Krainov, P. V.; Krivtsun, V. M.; Astakhov, D. I.; Medvedev, V. V.; van Kampen, M.; Smeets, D.; Koshelev, K. N.

2018-04-01

Experimental studies of stopping of ion fluxes from laser-produced plasma by a low-pressure gas atmosphere are presented. A modification of the time-of-flight spectroscopy technique is proposed for the stopping cross-sectional measurements in the ion energy range of 0.1-10 keV. The application of the proposed technique is demonstrated for Sn ion stopping by H2 gas. This combination of elements is of particular importance for the development of plasma-based sources of extreme ultraviolet radiation for lithographic applications.

LABORATORY GAS-PHASE DETECTION OF THE CYCLOPROPENYL CATION (c-C{sub 3}H{sub 3} {sup +})

Energy Technology Data Exchange (ETDEWEB)

Zhao, Dongfeng; Doney, Kirstin D.; Linnartz, Harold, E-mail: zhao@strw.leidenuniv.nl [Sackler Laboratory for Astrophysics, Leiden Observatory, University of Leiden, PO Box 9513, NL 2300 RA Leiden (Netherlands)

2014-08-20

The cyclopropenyl cation (c-C{sub 3}H{sub 3} {sup +}) is the smallest aromatic hydrocarbon molecule and considered to be a pivotal intermediate in ion-molecule reactions in space. An astronomical identification has been prohibited so far, because of a lack of gas-phase data. Here we report the first high resolution infrared laboratory gas-phase spectrum of the ν {sub 4} (C-H asymmetric stretching) fundamental band of c-C{sub 3}H{sub 3} {sup +}. The c-C{sub 3}H{sub 3} {sup +} cations are generated in supersonically expanding planar plasma by discharging a propyne/helium gas pulse, yielding a rotational temperature of ∼35 K. The absorption spectrum is recorded in the 3.19 μm region using sensitive continuous-wave cavity ring-down spectroscopy. The analysis of about 130 ro-vibrational transitions results in precise spectroscopic parameters. These constants allow for an accurate comparison with high-level theoretical predictions, and provide the relevant information needed to search for this astrochemically relevant carbo-cation in space.

Gas separation techniques with liquid Ar for production of 11C ions

International Nuclear Information System (INIS)

Hojo, Satoru; Honma, Toshihiro; Kanazawa, Mitsutaka; Muramatsu, Masayuki; Sakamoto, Yukio; Sugiura, Akinori; Suzuki, Naokata; Noda, Koji

2009-01-01

Heavy-ion cancer therapy with 12 C-beam has been carried out at HIMAC (Heavy Ion Medical Accelerator in Chiba) in NIRS (National Institute of Radiological Sciences) since 1994. One of the feasibility study in HIMAC is to use a positron emitter beam such as 11 C-beam for the cancer therapy. A nuclear reaction, 14 N (p,α) 11 C will be applied in the present study; it can be expected to obtain a considerably large number of 11 C-particles by utilizing the commonly used short-lives RI production techniques for PET (Positron Emission Tomography). The amount of 11 C gas is limited in this technique. The 11 CO 2 gas was produced from N 2 gas that is irradiated high-energy proton beam. Therefore, CO 2 gas separation from N 2 gas is very important. The gas-separation techniques with cryogenic system utilizing a liquid Ar were tested by dummy gas (N 2 + 12 CO 2 ). Details of the gas-separation techniques and measurement of CO 2 partial pressure are discussed. (author)

A lattice-gas model of the ion current across the solid interface: fast-ion conductor - intercalate

International Nuclear Information System (INIS)

Nachev, I.; Balkanski, M.

1994-12-01

The transport of Lithium ions across the material interface: fast-ion conducting glass - intercalate is simulated by a non-trivial lattice-gas model. The model takes explicitly into account the influence of the Coulomb correlations, the site-blocking effect and the boundary conditions on the ion kinetics. Potential device applications of the model are pointed out by computing the current density of Lithium ions for material parameters of the real interface: doped ternary borate glass - Indium Selenide, which constitute the electrolyte and the cathode, respectively, of a thin-film microbattery with improved performance. (author). 10 refs, 4 figs

Average equilibrium charge state of 278113 ions moving in a helium gas

International Nuclear Information System (INIS)

Kaji, D.; Morita, K.; Morimoto, K.

2005-01-01

Difficulty to identify a new heavy element comes from the small production cross section. For example, the production cross section was about 0.5 pb in the case of searching for the 112th element produced by the cold fusion reaction of 208 Pb( 70 Zn,n) 277 ll2. In order to identify heavier elements than element 112, the experimental apparatus with a sensitivity of sub-pico barn level is essentially needed. A gas-filled recoil separator, in general, has a large collection efficiency compared with other recoil separators as seen from the operation principle of a gas-filled recoil separator. One of the most important parameters for a gas-filled recoil separator is the average equilibrium charge state q ave of ions moving in a used gas. This is because the recoil ion can not be properly transported to the focal plane of the separator, if the q ave of an element of interest in a gas is unknown. We have systematically measured equilibrium charge state distributions of heavy ions ( 169 Tm, 208 Pb, 193,209 Bi, 196 Po, 200 At, 203,204 Fr, 212 Ac, 234 Bk, 245 Fm, 254 No, 255 Lr, and 265 Hs) moving in a helium gas by using the gas-filled recoil separator GARIS at RIKEN. Ana then, the empirical formula on q ave of heavy ions in a helium gas was derived as a function of the velocity and the atomic number of an ion on the basis of the Tomas-Fermi model of the atom. The formula was found to be applicable to search for transactinide nuclides of 271 Ds, 272 Rg, and 277 112 produced by cold fusion reactions. Using the formula on q ave , we searched for a new isotope of element 113 produced by the cold fusion reaction of 209 Bi( 70 Zn,n) 278 113. As a result, a decay chain due to an evaporation residue of 278 113 was observed. Recently, we have successfully observed the 2nd decay chain due to an evaporation residue of 278 113. In this report, we will present experimental results in detail, and will also discuss the average equilibrium charge sate of 278 113 in a helium gas by

Void fraction fluctuations in two-phase gas-liquid flow

International Nuclear Information System (INIS)

Ulbrich, R.

1987-01-01

Designs of the apparatus in which two-phase gas-liquid flow occurs are usually based on the mean value of parameters such as pressure drop and void fraction. The flow of two-phase mixtures generally presents a very complicated flow structure, both in terms of the unsteady formation on the interfacial area and in terms of the fluctuations of the velocity, pressure and other variables within the flow. When the gas void fraction is near 0 or 1 / bubble or dispersed flow regimes / then oscillations of void fraction are very small. The intermittent flow such as plug and slug/ froth is characterized by alternately flow portions of liquid and gas. It influences the change of void fractions in time. The results of experimental research of gas void fraction fluctuations in two-phase adiabatic gas-liquid flow in a vertical pipe are presented

Resonance ionization in a gas cell: a feasibility study for a laser ion source

International Nuclear Information System (INIS)

Qamhieh, Z.N.; Vandeweert, E.; Silverans, R.E.; Duppen, P. van; Huyse, M.; Vermeeren, L.

1992-01-01

A laser ion source based on resonance photo-ionization in a gas cell is proposed. The gas cell, filled with helium, consists of a target chamber in which the recoil products are stopped and neutralized, and an ionization chamber where the atoms of interest are selectively ionized by the laser light. The extraction of the ions from the ionization chamber through the exit hole-skimmer setup is similar to the ion-guide system. The conditions to obtain an optimal system are given. The results of a two-step one-laser resonance photo-ionization of nickel and the first results of laser ionization in a helium buffer gas cell are presented. (orig.)

Pulsed, Inductively Generated, Streaming Plasma Ion Source for Heavy Ion Fusion Linacs

International Nuclear Information System (INIS)

Steven C. Glidden; Howard D Sanders; John B. Greenly; Daniel L. Dongwoo

2006-01-01

This report describes a compact, high current density, pulsed ion source, based on electrodeless, inductively driven gas breakdown, developed to meet the requirements on normalized emittance, current density, uniformity and pulse duration for an ion injector in a heavy-ion fusion driver. The plasma source produces >10 (micro)s pulse of Argon plasma with ion current densities >100 mA/cm2 at 30 cm from the source and with strongly axially directed ion energy of about 80 eV, and sub-eV transverse temperature. The source has good reproducibility and spatial uniformity. Control of the current density during the pulse has been demonstrated with a novel modulator coil method which allows attenuation of the ion current density without significantly affecting the beam quality. This project was carried out in two phases. Phase 1 used source configurations adapted from light ion sources to demonstrate the feasibility of the concept. In Phase 2 the performance of the source was enhanced and quantified in greater detail, a modulator for controlling the pulse shape was developed, and experiments were conducted with the ions accelerated to >40 kV

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.

Statistical parameter characteristics of gas-phase fluctuations for gas-liquid intermittent flow

Energy Technology Data Exchange (ETDEWEB)

Matsui, G.; Monji, H.; Takaguchi, M. [Univ. of Tsukuba (Japan)

1995-09-01

This study deals with theoretical analysis on the general behaviour of statistical parameters of gas-phase fluctuations and comparison of statistical parameter characteristics for the real void fraction fluctuations measured with those for the wave form modified the real fluctuations. In order to investigate the details of the relation between the behavior of the statistical parameters in real intermittent flow and analytical results obtained from information on the real flow, the distributions of statistical parameters for general fundamental wave form of gas-phase fluctuations are discussed in detail. By modifying the real gas-phase fluctuations to a trapezoidaly wave, the experimental results can be directly compared with the analytical results. The analytical results for intermittent flow show that the wave form parameter, and the total amplitude of void fraction fluctuations, affects strongly on the statistical parameter characteristics. The comparison with experiment using nitrogen gas-water intermittent flow suggests that the parameters of skewness and excess may be better as indicators of flow pattern. That is, the macroscopic nature of intermittent flow can be grasped by the skewness and the excess, and the detailed flow structure may be described by the mean and the standard deviation.

Statistical parameter characteristics of gas-phase fluctuations for gas-liquid intermittent flow

International Nuclear Information System (INIS)

Matsui, G.; Monji, H.; Takaguchi, M.

1995-01-01

This study deals with theoretical analysis on the general behaviour of statistical parameters of gas-phase fluctuations and comparison of statistical parameter characteristics for the real void fraction fluctuations measured with those for the wave form modified the real fluctuations. In order to investigate the details of the relation between the behavior of the statistical parameters in real intermittent flow and analytical results obtained from information on the real flow, the distributions of statistical parameters for general fundamental wave form of gas-phase fluctuations are discussed in detail. By modifying the real gas-phase fluctuations to a trapezoidaly wave, the experimental results can be directly compared with the analytical results. The analytical results for intermittent flow show that the wave form parameter, and the total amplitude of void fraction fluctuations, affects strongly on the statistical parameter characteristics. The comparison with experiment using nitrogen gas-water intermittent flow suggests that the parameters of skewness and excess may be better as indicators of flow pattern. That is, the macroscopic nature of intermittent flow can be grasped by the skewness and the excess, and the detailed flow structure may be described by the mean and the standard deviation

Gas-phase acylation of aminopropyl-silica gel in the synthesis of some chemically bonded silica materials for analytical applications

International Nuclear Information System (INIS)

Basiuk, Vladimir; Khil'chevskaya, E.G.

1991-01-01

Gas-phase acylation of aminopropyl-silica gel with aliphatic dicarboxylic (succinic, adipic and sebacic) and 4-aminobenzoic acids is proposed as a rapid and efficient one-step method for the synthesis of carboxyalkyl- and 4-aminophenylamidopropyl-silica gels, usually used as zwitterion exchangers for liquid chromatography and matrices for multi-step syntheses of silica-bound aromatic azo reagents for the sorption and chromatographic separation of metal ions. Acylation degrees of 59-90% are achieved after 0.5 h. IR spectra of the acylation products and near-UV-visible spectra for bonded aromatic azo compounds, based on 4-aminobenzamidopropyl-silica gel, are presented. Some positive and negative aspects of the gas-phase acylation are discussed. (author). 34 refs.; 2 figs.; 2 tabs

Energy Demodulation Algorithm for Flow Velocity Measurement of Oil-Gas-Water Three-Phase Flow

Directory of Open Access Journals (Sweden)

Yingwei Li

2014-01-01

Full Text Available Flow velocity measurement was an important research of oil-gas-water three-phase flow parameter measurements. In order to satisfy the increasing demands for flow detection technology, the paper presented a gas-liquid phase flow velocity measurement method which was based on energy demodulation algorithm combing with time delay estimation technology. First, a gas-liquid phase separation method of oil-gas-water three-phase flow based on energy demodulation algorithm and blind signal separation technology was proposed. The separation of oil-gas-water three-phase signals which were sampled by conductance sensor performed well, so the gas-phase signal and the liquid-phase signal were obtained. Second, we used the time delay estimation technology to get the delay time of gas-phase signals and liquid-phase signals, respectively, and the gas-phase velocity and the liquid-phase velocity were derived. At last, the experiment was performed at oil-gas-water three-phase flow loop, and the results indicated that the measurement errors met the need of velocity measurement. So it provided a feasible method for gas-liquid phase velocity measurement of the oil-gas-water three-phase flow.

Excited-state dynamics of a ruthenium(II) catalyst studied by transient photofragmentation in gas phase and transient absorption in solution

Energy Technology Data Exchange (ETDEWEB)

Imanbaew, D.; Nosenko, Y. [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Forschungszentrum OPTIMAS, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany); Kerner, C. [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Chevalier, K.; Rupp, F. [Fachbereich Physik, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany); Riehn, C., E-mail: riehn@chemie.uni-kl.de [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Forschungszentrum OPTIMAS, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany); Thiel, W.R. [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Diller, R. [Fachbereich Physik, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany)

2014-10-17

Graphical abstract: - Highlights: • Ultrafast dynamics of new Ru(II) catalysts investigated in gas phase and solution. • Catalyst activation (HCl loss) achieved in ion trap by UV photoexcitation. • Electronic relaxation proceeds by IVR and IC followed by ground state dissociation. • No triplet formation in contrast to other Ru-polypyridine complexes. • Solvent prohibits catalyst activation in solution by fast vibrational cooling. - Abstract: We report studies on the excited state dynamics of new ruthenium(II) complexes [(η{sup 6}-cymene)RuCl(apypm)]PF{sub 6} (apypm=2-NR{sub 2}-4-(pyridine-2-yl)-pyrimidine, R=CH{sub 3} (1)/H (2)) which, in their active form [1{sup +}-HCl] and [2{sup +}-HCl], catalyze the transfer hydrogenation of arylalkyl ketones in the absence of a base. The investigations encompass femtosecond pump–probe transient mass spectrometry under isolated conditions and transient absorption spectroscopy in acetonitrile solution, both on the cations [(η{sup 6}-cymene)RuCl(apypm)]{sup +} (1{sup +}, 2{sup +}). Gas phase studies on mass selected ions were performed in an ESI ion trap mass spectrometer by transient photofragmentation, unambiguously proving the formation of the activated catalyst species [1{sup +}-HCl] or [2{sup +}-HCl] after photoexcitation being the only fragmentation channel. The primary excited state dynamics in the gas phase could be fitted to a biexponential decay, yielding time constants of <100 fs and 1–3 ps. Transient absorption spectroscopy performed in acetonitrile solution using femtosecond UV/Vis and IR probe laser pulses revealed additional deactivation processes on longer time scales (∼7–12 ps). However, the formation of the active catalyst species after photoexcitation could not be observed in solution. The results from both studies are compared to former CID investigations and DFT calculations concerning the activation mechanism.

Optimizing hot-ion production from a gas-injected washer gun

International Nuclear Information System (INIS)

McCarrick, M.J.; Ellis, R.F.; Booske, J.H.; Koepke, M.

1987-01-01

This paper reports the results of a study to maximize the ion temperature of the plasma generated by a gas-injected washer gun. We characterize the gun discharge and the plasma output as a function of the controllable gun parameters. For hydrogen we find a maximum ion temperature of 100 eV with typical densities ranging from 2 x 10 11 to 5 x 10 12 cm -3 . A primary feature of the pulsed gun discharge is the observation of large amplitude rf fluctuations on the cathode voltage. The fluctuation amplitude varies with discharge current and with the quantity of injected gas. We show that the scaling of the fluctuation level with gun parameters is in agreement with that expected of an unstable beam-plasma system. We find a linear relation between the square of the fluctuation amplitude and the product of the plasma density times the ion temperature of the plasma output nT/sub i/, suggesting a stochastic wave-induced heating mechanism

Understanding Gas-Phase Ammonia Chemistry in Protoplanetary Disks

Science.gov (United States)

Chambers, Lauren; Oberg, Karin I.; Cleeves, Lauren Ilsedore

2017-01-01

Protoplanetary disks are dynamic regions of gas and dust around young stars, the remnants of star formation, that evolve and coagulate over millions of years in order to ultimately form planets. The chemical composition of protoplanetary disks is affected by both the chemical and physical conditions in which they develop, including the initial molecular abundances in the birth cloud, the spectrum and intensity of radiation from the host star and nearby systems, and mixing and turbulence within the disk. A more complete understanding of the chemical evolution of disks enables a more complete understanding of the chemical composition of planets that may form within them, and of their capability to support life. One element known to be essential for life on Earth is nitrogen, which often is present in the form of ammonia (NH3). Recent observations by Salinas et al. (2016) reveal a theoretical discrepancy in the gas-phase and ice-phase ammonia abundances in protoplanetary disks; while observations of comets and protostars estimate the ice-phase NH3/H2O ratio in disks to be 5%, Salinas reports a gas-phase NH3/H2O ratio of ~7-84% in the disk surrounding TW Hydra, a young nearby star. Through computational chemical modeling of the TW Hydra disk using a reaction network of over 5000 chemical reactions, I am investigating the possible sources of excess gas-phase NH3 by determining the primary reaction pathways of NH3 production; the downstream chemical effects of ionization by ultraviolet photons, X-rays, and cosmic rays; and the effects of altering the initial abundances of key molecules such as N and N2. Beyond providing a theoretical explanation for the NH3 ice/gas discrepancy, this new model may lead to fuller understanding of the gas-phase formation processes of all nitrogen hydrides (NHx), and thus fuller understanding of the nitrogen-bearing molecules that are fundamental for life as we know it.

Gas phase chemical studies of superheavy elements using the Dubna gas-filled recoil separator - Stopping range determination

International Nuclear Information System (INIS)

Wittwer, D.; Abdullin, F.Sh.; Aksenov, N.V.; Albin, Yu.V.; Bozhikov, G.A.; Dmitriev, S.N.; Dressler, R.; Eichler, R.; Gaeggeler, H.W.; Henderson, R.A.; Huebener, S.; Kenneally, J.M.; Lebedev, V.Ya.; Lobanov, Yu.V.; Moody, K.J.; Oganessian, Yu.Ts.; Petrushkin, O.V.; Polyakov, A.N.; Piguet, D.; Rasmussen, P.

2010-01-01

Currently, gas phase chemistry experiments with heaviest elements are usually performed with the gas-jet technique with the disadvantage that all reaction products are collected in a gas-filled thermalisation chamber adjacent to the target. The incorporation of a physical preseparation device between target and collection chamber opens up the perspective to perform new chemical studies. But this approach requires detailed knowledge of the stopping force (STF) of the heaviest elements in various materials. Measurements of the energy loss of mercury (Hg), radon (Rn), and nobelium (No) in Mylar and argon (Ar) were performed at low kinetic energies of around (40-270) keV per nucleon. The experimentally obtained values were compared with STF calculations of the commonly used program for calculating stopping and ranges of ions in matter (SRIM). Using the obtained data points an extrapolation of the STF up to element 114, eka-lead, in the same stopping media was carried out. These estimations were applied to design and to perform a first chemical experiment with a superheavy element behind a physical preseparator using the nuclear fusion reaction 244 Pu( 48 Ca; 3n) 289 114. One decay chain assigned to an atom of 285 112, the α-decay product of 289 114, was observed.

Ion counting method and it's operational characteristics in gas chromatography-mass spectrometry

International Nuclear Information System (INIS)

Fujii, Toshihiro

1976-01-01

Ion counting method with continuous channel electron multiplier which affords the direct detection of very small ion currents and it's operational characteristics were studied in gas chromatography-mass spectrometry. Then this method was applied to the single ion detection technique of GC-MS. A detection limit was measured, using various standard samples of low level concentration. (auth.)

Gas-Phase Thermolysis

DEFF Research Database (Denmark)

Carlsen, Lars; Egsgaard, Helge; Schaumann, Ernst

1980-01-01

The unimolecular gas-phase thermolytic decomposition of three silylated thionocarboxylic acid derivatives (2b), (3), and (8) have been studied by the flash vacuum thermolysis–field ionization mass spectrometry technique in the temperature range from 783 to 1 404 K in order to elucidate its possible...... applicability as a route to thioketens. Only very minor amounts of the expected thioketens were found, whereas the corresponding ketens were obtained as the major products. A possible mechanism for keten formation is discussed....

Analytical study of solids-gas two phase flow

International Nuclear Information System (INIS)

Hosaka, Minoru

1977-01-01

Fundamental studies were made on the hydrodynamics of solids-gas two-phase suspension flow, in which very small solid particles are mixed in a gas flow to enhance the heat transfer characteristics of gas cooled high temperature reactors. Especially, the pressure drop due to friction and the density distribution of solid particles are theoretically analyzed. The friction pressure drop of two-phase flow was analyzed based on the analytical result of the single-phase friction pressure drop. The calculated values of solid/gas friction factor as a function of solid/gas mass loading are compared with experimental results. Comparisons are made for Various combinations of Reynolds number and particle size. As for the particle density distribution, some factors affecting the non-uniformity of distribution were considered. The minimum of energy dispersion was obtained with the variational principle. The suspension density of particles was obtained as a function of relative distance from wall and was compared with experimental results. It is concluded that the distribution is much affected by the particle size and that the smaller particles are apt to gather near the wall. (Aoki, K.)

Oxo-exchange of gas-phase uranyl, neptunyl, and plutonyl with water and methanol.

Science.gov (United States)

Lucena, Ana F; Odoh, Samuel O; Zhao, Jing; Marçalo, Joaquim; Schreckenbach, Georg; Gibson, John K

2014-02-17

A challenge in actinide chemistry is activation of the strong bonds in the actinyl ions, AnO2(+) and AnO2(2+), where An = U, Np, or Pu. Actinyl activation in oxo-exchange with water in solution is well established, but the exchange mechanisms are unknown. Gas-phase actinyl oxo-exchange is a means to probe these processes in detail for simple systems, which are amenable to computational modeling. Gas-phase exchange reactions of UO2(+), NpO2(+), PuO2(+), and UO2(2+) with water and methanol were studied by experiment and density functional theory (DFT); reported for the first time are experimental results for UO2(2+) and for methanol exchange, as well as exchange rate constants. Key findings are faster exchange of UO2(2+) versus UO2(+) and faster exchange with methanol versus water; faster exchange of UO2(+) versus PuO2(+) was quantified. Computed potential energy profiles (PEPs) are in accord with the observed kinetics, validating the utility of DFT to model these exchange processes. The seemingly enigmatic result of faster exchange for uranyl, which has the strongest oxo-bonds, may reflect reduced covalency in uranyl as compared with plutonyl.

Swift heavy ion induced phase transformation and thermoluminescence properties of zirconium oxide

Energy Technology Data Exchange (ETDEWEB)

Lokesha, H.S. [Physics R & D Centre, PES Institute of Technology, BSK 3rd Stage, Bangalore 560085 (India); Nagabhushana, K.R., E-mail: bhushankr@gmail.com [Physics R & D Centre, PES Institute of Technology, BSK 3rd Stage, Bangalore 560085 (India); Department of Physics, PES University, BSK 3rd Stage, Bangalore 560085 (India); Singh, Fouran [Inter University Accelerator Center, Aruna Asaf Ali Marg, New Delhi 110 067 (India)

2016-07-15

Zirconium oxide (ZrO{sub 2}) powder is synthesized by combustion technique. XRD pattern of ZrO{sub 2} shows monoclinic phase with average crystallite size 35 nm. Pellets of ZrO{sub 2} are irradiated with 100 MeV swift Si{sup 7+}, Ni{sup 7+} and 120 MeV swift Ag{sup 9+} ions in the fluence range 3 × 10{sup 10}–3 × 10{sup 13} ions cm{sup −2}. XRD pattern show the main diffraction peak correspond to monoclinic and tetragonal phase of ZrO{sub 2} in 2θ range 27–33°. Structural phase transformation is observed for Ni{sup 7+} and Ag{sup 9+} ion irradiated samples at a fluence 1 × 10{sup 13} ions cm{sup −2} and 3 × 10{sup 12} ions cm{sup −2} respectively, since the deposited electronic energy loss exceeds an effective threshold (>12 keV nm{sup −1}). Phase transition induced by Ag{sup 9+} ion is nearly 2.9 times faster than Ni{sup 7+} ion at 1 × 10{sup 13} ions cm{sup −2}. Ag{sup 9+} ion irradiation leads two ion impact processes. Thermoluminescence (TL) glow curves exhibit two glows, a well resolved peak at ∼424 K and unresolved peak at 550 K for all SHI irradiated samples. TL response is decreased with increase of ion fluence. Beyond 3 × 10{sup 12} ions cm{sup −2}, samples don’t exhibit TL due to annihilation of defects.

A cold cathode of a gas-discharge electron-ion gun

International Nuclear Information System (INIS)

1974-01-01

A cold cathode of a gas-discharge electron-ion gun is constructed in order to continuously replace the eroded material by feeding a wire or a set of coaxial cylinders in the spot where the ions hit the cathode. In this way, the form of the cathode and the electric-field configuration is preserved which guarantees the conservation of a sharp narrow electron beam profile

Gas phase pulse radiolysis

International Nuclear Information System (INIS)

Jonah, C.D.; Andong Liu; Mulac, W.A.

1987-01-01

Gas phase pulse radiolysis, a technique which can be used to study many different phenomena in chemistry and physics, is discussed. As a source of small radicals, pulse radiolysis is important to the field of chemistry, particularly to combustion and atmospheric kinetics. The reactions of 1,3-butadiene, allene, ethylene and acetylene with OH are presented. 52 refs., 1 fig., 1 tab

Recent advances in high current vacuum arc ion sources for heavy ion fusion

CERN Document Server

Qi Nian Sheng; Prasad, R R; Krishnan, M S; Anders, A; Kwan, J; Brown, I

2001-01-01

For a heavy ion fusion induction linac driver, a source of heavy ions with charge states 1+-3+, approx 0.5 A current beams, approx 20 mu s pulse widths and approx 10 Hz repetition rates is required. Thermionic sources have been the workhorse for the Heavy Ion Fusion (HIF) program to date, but suffer from heating problems for large areas and contamination. They are limited to low (contact) ionization potential elements and offer relatively low ion fluxes with a charge state limited to 1+. Gas injection sources suffer from partial ionization and deleterious neutral gas effects. The above shortcomings of the thermionic ion sources can be overcome by a vacuum arc ion source. The vacuum arc ion source is a good candidate for HIF applications. It is capable of providing ions of various elements and different charge states in short and long pulse bursts and high beam current density. Under a Phase-I STTR from DOE, the feasibility of the vacuum arc ion source for the HIF applications was investigated. We have modifie...

Determination of Low Concentrations of Acetochlor in Water by Automated Solid-Phase Extraction and Gas Chromatography with Mass-Selective Detection

Science.gov (United States)

Lindley, C.E.; Stewart, J.T.; Sandstrom, M.W.

1996-01-01

A sensitive and reliable gas chromatographic/mass spectrometric (GC/MS) method for determining acetochlor in environmental water samples was developed. The method involves automated extraction of the herbicide from a filtered 1 L water sample through a C18 solid-phase extraction column, elution from the column with hexane-isopropyl alcohol (3 + 1), and concentration of the extract with nitrogen gas. The herbicide is quantitated by capillary/column GC/MS with selected-ion monitoring of 3 characteristic ions. The single-operator method detection limit for reagent water samples is 0.0015 ??g/L. Mean recoveries ranged from about 92 to 115% for 3 water matrixes fortified at 0.05 and 0.5 ??g/L. Average single-operator precision, over the course of 1 week, was better than 5%.

Laser spectroscopy and gas-phase chemistry in CVD

International Nuclear Information System (INIS)

Ho, P.; Breiland, W.G.; Coltrin, M.E.

1986-01-01

The experimental work involves the use of laser spectroscopic techniques for in situ measurements on the gas phase in a chemical vapor deposition reactor. The theoretical part of the program consists of a computer model of the coupled fluid mechanics and gas-phase chemical kinetics of silane decomposition and subsequent reactions of intermediate species. The laser measurements provide extensive data for thoroughly testing the predictive capabilities of the model

Ion beam diagnosis

International Nuclear Information System (INIS)

Strehl, P.

1994-04-01

This report is an introduction to ion beam diagnosis. After a short description of the most important ion beam parameters measurements of the beam current by means of Faraday cups, calorimetry, and beam current transformers and measurements of the beam profile by means of viewing screens, profile grids and scanning devices, and residual gas ionization monitors are described. Finally measurements in the transverse and longitudinal phase space are considered. (HSI)

Ionic liquid stationary phases for gas chromatography.

Science.gov (United States)

Poole, Colin F; Poole, Salwa K

2011-04-01

This article provides a summary of the development of ionic liquids as stationary phases for gas chromatography beginning with early work on packed columns that established details of the retention mechanism and established working methods to characterize selectivity differences compared with molecular stationary phases through the modern development of multi-centered cation and cross-linked ionic liquids for high-temperature applications in capillary gas chromatography. Since there are many reviews on ionic liquids dealing with all aspects of their chemical and physical properties, the emphasis in this article is placed on the role of gas chromatography played in the design of ionic liquids of low melting point, high thermal stability, high viscosity, and variable selectivity for separations. Ionic liquids provide unprecedented opportunities for extending the selectivity range and temperature-operating range of columns for gas chromatography, an area of separation science that has otherwise been almost stagnant for over a decade. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gas-phase reaction rate constants for atmospheric pressure ionization in ion-mobility spectrometry

International Nuclear Information System (INIS)

Vandiver, V.J.

1987-01-01

Ion-mobility spectrometry (IMS) is an instrumental technique in which gaseous ions are formed from neutral molecules by proton and charge transfer from reactant ions through collisional ionization. An abbreviated rate theory has been proposed for atmospheric pressure ionization (API) in IMS, but supporting experimental measurements have not been reported. The objectives of this thesis were (1) assessment of existing API rate theory using positive and negative product ions in IMS, (2) measurement of API equilibria and kinetics for binary mixtures, and (3) investigating of cross-ionizations with multiple-product ions in API reactions. Although IMS measurements and predictions from rate theory were comparable, shapes and slopes of response curves for both proton transfer and electron capture were not described exactly by existing theory. In particular, terms that are needed for calculation of absolute rate constants were unsuitable in the existing theory. These included recombination coefficients,initial number of reactant ions, and opposing ion densities

Development of intense pulsed heavy ion beam diode using gas puff plasma gun as ion source

International Nuclear Information System (INIS)

Ito, H.; Higashiyama, M.; Takata, S.; Kitamura, I.; Masugata, K.

2006-01-01

A magnetically insulated ion diode with an active ion source of a gas puff plasma gun has been developed in order to generate a high-intensity pulsed heavy ion beam for the implantation process of semiconductors and the surface modification of materials. The nitrogen plasma produced by the plasma gun is injected into the acceleration gap of the diode with the external magnetic field system. The ion diode is operated at diode voltage approx. =200 kV, diode current approx. =2 kA and pulse duration approx. =150 ns. A new acceleration gap configuration for focusing ion beam has been designed in order to enhance the ion current density. The experimental results show that the ion current density is enhanced by a factor of 2 and the ion beam has the ion current density of 27 A/cm 2 . In addition, the coaxial type Marx generator with voltage 200 kV and current 15 kA has been developed and installed in the focus type ion diode. The ion beam of ion current density approx. =54 A/cm 2 is obtained. To produce metallic ion beams, an ion source by aluminum wire discharge has been developed and the aluminum plasma of ion current density ∼70 A/cm 2 is measured. (author)

Online Simultaneous Hydrogen/Deuterium Exchange of Multitarget Gas-Phase Molecules by Electrospray Ionization Mass Spectrometry Coupled with Gas Chromatography.

Science.gov (United States)

Jeong, Eun Sook; Cha, Eunju; Cha, Sangwon; Kim, Sunghwan; Oh, Han Bin; Kwon, Oh-Seung; Lee, Jaeick

2017-11-21

In this study, a hydrogen/deuterium (H/D) exchange method using gas chromatography-electrospray ionization/mass spectrometry (GC-ESI/MS) was first investigated as a novel tool for online H/D exchange of multitarget analytes. The GC and ESI source were combined with a homemade heated column transfer line. GC-ESI/MS-based H/D exchange occurs in an atmospheric pressure ion source as a result of reacting the gas-phase analyte eluted from GC with charged droplets of deuterium oxide infused as the ESI spray solvent. The consumption of the deuterated solvent at a flow rate of 2 μL min -1 was more economical than that in online H/D exchange methods reported to date. In-ESI-source H/D exchange by GC-ESI/MS was applied to 11 stimulants with secondary amino or hydroxyl groups. After H/D exchange, the spectra of the stimulants showed unexchanged, partially exchanged, and fully exchanged ions showing various degrees of exchange. The relative abundances corrected for naturally occurring isotopes of the fully exchanged ions of stimulants, except for etamivan, were in the range 24.3-85.5%. Methylephedrine and cyclazodone showed low H/D exchange efficiency under acidic, neutral, and basic spray solvent conditions and nonexchange for etamivan with an acidic phenolic OH group. The in-ESI-source H/D exchange efficiency by GC-ESI/MS was sufficient to determine the number of hydrogen by elucidation of fragmentation from the spectrum. Therefore, this online H/D exchange technique using GC-ESI/MS has potential as an alternative method for simultaneous H/D exchange of multitarget analytes.

A gas-silicon telescope for medium-heavy ion detection

International Nuclear Information System (INIS)

Kozik, T.; Buschmann, J.; Neudold, M.

1985-12-01

A ΔE-E telescope for the identification of medium-heavy ions is presented. The specific energy loss is measured with a gas ionization chamber, and the residual energy is determined with a silicon surface barrier detector. The main features of the collecting electrical field and the timing properties of the device are discussed under theoretical aspects. The gas supply system, its electronic control unit, and the operating procedures are described. Two different versions of the coincidence electronics are shown. The experimental performance of the gas-silicon telescope is demonstrated and is found to be close to the best Z-resolution which can be obtained with this technique. (orig.) [de

The mobilies of chiral molecular cluster ions in He gas

International Nuclear Information System (INIS)

Saito, Kazuyuki; Matoba, Shiro; Koizumi, Tetsuo; Kojima, Takao M; Tanuma, Hajime; Shiromaru, Haruo

2012-01-01

We measured the mobilities of Li + -(2-butanol) and Li + -(limonene) ions in He gas at room temperature using a drift tube mass spectrometer. The zero field mobilities of Li + -(2-Butanol) and Li + -(Limonene) were much lower than the polarization limit, indicating that the geometric collision cross-sections between the cluster ions and He atom were larger than the cross-sections predicted by the presence of a polarization force alone.

Banded ion morphology - main and recovery storm phases

International Nuclear Information System (INIS)

Frahm, R.A.; Reiff, P.H.; Winningham, J.D.; Burch, J.L.

1986-01-01

The occurrence of bands in ion spectra obtained with the high-altitude and low-altitude plasma instruments on DE-1 and DE-2, respectively, during main and recovery storm phases from the period September 1981 - January 1982 is analyzed statistically. Typical spectra are shown; diagrams and graphs of storm morphology are provided; and two theoretical models (one based on time-of-flight effects and another based on convective dispersion) are discussed. It is found that bands occur more often in the main phase than in the recovery phase, and more often and at higher latitudes in the evening than before noon. From the stability of the bands and the dependence of energy on latitude it is inferred that convective dispersion plays a more important role than time-of-flight effects in the motion of heavy ions in the magnetosphere. 14 references

Experiments on Ion-Ion Plasmas From Discharges

Science.gov (United States)

Leonhardt, Darrin; Walton, Scott; Blackwell, David; Murphy, Donald; Fernsler, Richard; Meger, Robert

2001-10-01

Use of both positive and negative ions in plasma processing of materials has been shown to be advantageous[1] in terms of better feature evolution and control. In this presentation, experimental results are given to complement recent theoretical work[2] at NRL on the formation and decay of pulsed ion-ion plasmas in electron beam generated discharges. Temporally resolved Langmuir probe and mass spectrometry are used to investigate electron beam generated discharges during the beam on (active) and off (afterglow) phases in a variety of gas mixtures. Because electron-beam generated discharges inherently[3] have low electron temperatures (<0.5eV in molecular gases), negative ion characteristics are seen in the active as well as afterglow phases since electron detachment increases with low electron temperatures. Analysis of temporally resolved plasma characteristics deduced from these measurements will be presented for pure O_2, N2 and Ar and their mixtures with SF_6. Oxygen discharges show no noticeable negative ion contribution during the active or afterglow phase, presumably due to the higher energy electron attachment threshold, which is well above any electron temperature. In contrast, SF6 discharges demonstrate ion-ion plasma characteristics in the active glow and are completely ion-ion in the afterglow. Comparison between these discharges with published cross sections and production mechanisms will also be presented. [1] T.H. Ahn, K. Nakamura & H. Sugai, Plasma Sources Sci. Technol., 5, 139 (1996); T. Shibyama, H. Shindo & Y. Horiike, Plasma Sources Sci. Technol., 5, 254 (1996). [2] See presentation by R. F. Fernsler, at this conference. [3] D. Leonhardt, et al., 53rd Annual GEC, Houston, TX.

Structure and reactivity of molybdenum oxide cluster ions in the gas phase

International Nuclear Information System (INIS)

Goncharov, V.B.; Fialko, E.F.

2002-01-01

A set of cluster ions of molybdenum oxides Mo x O y + (x = 1-5, y = 1-15) was prepared using a combination of the ionic cyclotron resonance method and Knudsen effusion source. Dependence of concentration of different molybdenum oxide ions on the time of retention and their interaction with carbon monoxide was studied. It is shown that Mo x O y + ions with x>3 contain cyclic fragment Mo 3 O 9 in their structure. Oxygen binding energies within ionic clusters Mo x O y + were estimated [ru

Multiphase flow and transport caused by spontaneous gas phase growth in the presence of dense non-aqueous phase liquid.

Science.gov (United States)

Roy, James W; Smith, James E

2007-01-30

Disconnected bubbles or ganglia of trapped gas may occur below the top of the capillary fringe through a number of mechanisms. In the presence of dense non-aqueous phase liquid (DNAPL), the disconnected gas phase experiences mass transfer of dissolved gases, including volatile components from the DNAPL. The properties of the gas phase interface can also change. This work shows for the first time that when seed gas bubbles exist spontaneous gas phase growth can be expected to occur and can significantly affect water-gas-DNAPL distributions, fluid flow, and mass transfer. Source zone behaviour was observed in three different experiments performed in a 2-dimensional flow cell. In each case, a DNAPL pool was created in a zone of larger glass beads over smaller glass beads, which served as a capillary barrier. In one experiment effluent water samples were analyzed to determine the vertical concentration profile of the plume above the pool. The experiments effectively demonstrated a) a cycle of spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone, b) DNAPL redistribution caused by gas phase growth and mobilization, and c) that these processes can significantly affect mass transport from a NAPL source zone.

The injection of inert gas ions into solids: their trapping and escape

International Nuclear Information System (INIS)

Carter, G.; Armour, D.G.; Donnelly, S.E.; Ingram, D.C.; Webb, R.P.

1980-01-01

The first part of this contribution will review experimental studies of the trapping probabilities of ions injected into solids as a function of ion energy and indicate how the data can be modelled theoretically. It will be demonstrated that trapping is a two stage process, the first involving penetration into the solid and the second requiring atom dissolution and experimental evidence will be cited to show how the latter process may be dominant for light ions which create little radiation damage. For low ion fluences, injected atoms are generally trapped in isolation but as fluence increases gas-defect complexes are formed and it will be shown how post bombardment thermal evaluation studies can provide evidence for the growth of these complexes. Concomitant with trapping however, dissolved gas may be evolved from the solid by some form of sputtering process, sometimes by mechanisms much more efficient than congruent sputtering of the solid together with the trapped species. Measurements of the trapped atom concentration-ion fluence behaviour and of the evolution of one initially trapped species by bombardment with a second species provide information on the physical processes involved in trapped atom sputtering and upon the mechanism of gas incorporation saturation and experimental studies in this area, together with some first approximation theoretical investigations will be discussed. It will be shown that an important mechanism in dictating incorporation saturation, in addition to sputtering, is the atomic saturation of the solid by the implant. (author)

Gas-phase fragmentation of peptides to increase the spatial resolution of the Hydrogen Exchange Mass Spectrometry experiment

DEFF Research Database (Denmark)

Jensen, Pernille Foged; Rand, Kasper Dyrberg

2016-01-01

are produced after precursor ion selection and thus do not add complexity to the LC-MS analysis. The key to obtaining optimal spatial resolution in a hydrogen exchange mass spectrometry (HX-MS) experiment is the fragmentation efficiency. This chapter discusses common fragmentation techniques like collision....../D scrambling, thus making them suitable for HX applications. By combining the classic bottom-up HX-MS workflow with gas-phase fragmentation by ETD, detailed information on protein HX can be obtained....

Intense ion beam transport in magnetic quadrupoles: Experiments on electron and gas effects

International Nuclear Information System (INIS)

Seidl, P.A.; Molvik, A.W.; Bieniosek, F.M.; Cohen, R.H.; Faltens, A.; Friedman, A.; Kireef Covo, M.; Lund, S.M.; Prost, L.; Vay, J-L.

2004-01-01

Heavy-ion induction linacs for inertial fusion energy and high-energy density physics have an economic incentive to minimize the clearance between the beam edge and the aperture wall. This increases the risk from electron clouds and gas desorbed from walls. We have measured electron and gas emission from 1 MeV K + incident on surfaces near grazing incidence on the High-Current Experiment (HCX) at LBNL. Electron emission coefficients reach values >100, whereas gas desorption coefficients are near 10 4 . Mitigation techniques are being studied: A bead-blasted rough surface reduces electron emission by a factor of 10 and gas desorption by a factor of 2. We also discuss the results of beam transport (of 0.03-0.18 A K + ) through four pulsed room-temperature magnetic quadrupoles in the HCX at LBNL. Diagnostics are installed on HCX, between and within quadrupole magnets, to measure the beam halo loss, net charge and expelled ions, from which we infer gas density, electron trapping, and the effects of mitigation techniques. A coordinated theory and computational effort has made significant progress towards a self-consistent model of positive-ion beam and electron dynamics. We are beginning to compare experimental and theoretical results

Energy distributions of an ion in a radio-frequency trap immersed in a buffer gas under the influence of additional external forces

Science.gov (United States)

Rouse, I.; Willitsch, S.

2018-04-01

An ion held in a radio-frequency trap interacting with a uniform buffer gas of neutral atoms develops a steady-state energy distribution characterized by a power-law tail at high energies instead of the exponential decay characteristic of thermal equilibrium. We have previously shown that the Tsallis statistics frequently used as an empirical model for this distribution is a good approximation when the ion is heated due to a combination of micromotion interruption and exchange of kinetic energy with the buffer gas [Rouse and Willitsch, Phys. Rev. Lett. 118, 143401 (2017), 10.1103/PhysRevLett.118.143401]. Here, we extend our treatment to include the heating due to additional motion of the ion caused by external forces, including the "excess micromotion" induced by uniform electric fields and rf phase offsets. We show that this also leads to a Tsallis distribution with a potentially different power-law exponent from that observed in the absence of this additional forced motion, with the difference increasing as the ratio of the mass of the neutral atoms to that of the ion decreases. Our results indicate that unless the excess micromotion is minimized to a very high degree, then even a system with very light neutrals and a heavy ion does not exhibit a thermal distribution.

Numerical modeling of laser-driven ion acceleration from near-critical gas targets

Science.gov (United States)

Tatomirescu, Dragos; Vizman, Daniel; d’Humières, Emmanuel

2018-06-01

In the past two decades, laser-accelerated ion sources and their applications have been intensely researched. Recently, it has been shown through experiments that proton beams with characteristics comparable to those obtained with solid targets can be obtained from gaseous targets. By means of particle-in-cell simulations, this paper studies in detail the effects of a near-critical density gradient on ion and electron acceleration after the interaction with ultra high intensity lasers. We can observe that the peak density of the gas jet has a significant influence on the spectrum features. As the gas jet density increases, so does the peak energy of the central quasi-monoenergetic ion bunch due to the increase in laser absorption while at the same time having a broadening effect on the electron angular distribution.

Phase stability in thermally-aged CASS CF8 under heavy ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Li, Meimei, E-mail: mli@anl.gov [Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL 60439 (United States); Miller, Michael K. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831 (United States); Chen, Wei-Ying [Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL 60439 (United States)

2015-07-15

Highlights: • Thermally-aged CF8 was irradiated with 1 MeV Kr ions at 400 °C. • Atom probe tomography revealed a strong dose dependence of G-phase precipitates. • Phase separation of α and α′ in ferrite was reduced after irradiation. - Abstract: The stability of the microstructure of a cast austenitic stainless steel (CASS), before and after heavy ion irradiation, was investigated by atom probe tomography (APT). A CF8 ferrite–austenite duplex alloy was thermally aged at 400 °C for 10,000 h. After this treatment, APT revealed nanometer-sized G-phase precipitates and Fe-rich α and Cr-enriched α′ phase separated regions in the ferrite. The thermally-aged CF8 specimen was irradiated with 1 MeV Kr ions to a fluence of 1.88 × 10{sup 19} ions/m{sup 2} at 400 °C. After irradiation, APT analysis revealed a strong spatial/dose dependence of the G-phase precipitates and the α–α′ spinodal decomposition in the ferrite. For the G-phase precipitates, the number density increased and the mean size decreased with increasing dose, and the particle size distribution changed considerably under irradiation. The inverse coarsening process can be described by recoil resolution. The amplitude of the α–α′ spinodal decomposition in the ferrite was apparently reduced after heavy ion irradiation.

Wigner Distribution Functions as a Tool for Studying Gas Phase Alkali Metal Plus Noble Gas Collisions

Science.gov (United States)

2014-03-27

WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS NOBLE GAS COLLISIONS THESIS Keith A. Wyman, Second Lieutenant, USAF...the U.S. Government and is not subject to copyright protection in the United States. AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR...APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS

Fullerene-rare gas mixed plasmas in an electron cyclotron resonance ion source

Energy Technology Data Exchange (ETDEWEB)

Asaji, T., E-mail: asaji@oshima-k.ac.jp; Ohba, T. [Oshima National College of Maritime Technology, 1091-1 Komatsu, Suo-oshima, Oshima, Yamaguchi 742-2193 (Japan); Uchida, T.; Yoshida, Y. [Bio-Nano Electronics Research Centre, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Minezaki, H.; Ishihara, S. [Graduate School of Engineering, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Racz, R.; Biri, S. [Institute of Nuclear Research (ATOMKI), H-4026 Debrecen, Bem Tér 18/c (Hungary); Muramatsu, M.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), 4-9-1 Anagawa, Inage-ku, Chiba 263-8555 (Japan); Kato, Y. [Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan)

2014-02-15

A synthesis technology of endohedral fullerenes such as Fe@C{sub 60} has developed with an electron cyclotron resonance (ECR) ion source. The production of N@C{sub 60} was reported. However, the yield was quite low, since most fullerene molecules were broken in the ECR plasma. We have adopted gas-mixing techniques in order to cool the plasma and then reduce fullerene dissociation. Mass spectra of ion beams extracted from fullerene-He, Ar or Xe mixed plasmas were observed with a Faraday cup. From the results, the He gas mixing technique is effective against fullerene destruction.

Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers.

Science.gov (United States)

Boschmans, Jasper; Jacobs, Sam; Williams, Jonathan P; Palmer, Martin; Richardson, Keith; Giles, Kevin; Lapthorn, Cris; Herrebout, Wouter A; Lemière, Filip; Sobott, Frank

2016-06-20

Electrospray ion mobility-mass spectrometry (IM-MS) data show that for some small molecules, two (or even more) ions with identical sum formula and mass, but distinct drift times are observed. In spite of showing their own unique and characteristic fragmentation spectra in MS/MS, no configurational or constitutional isomers are found to be present in solution. Instead the observation and separation of such ions appears to be inherent to their gas-phase behaviour during ion mobility experiments. The origin of multiple drift times is thought to be the result of protonation site isomers ('protomers'). Although some important properties of protomers have been highlighted by other studies, correlating the experimental collision cross-sections (CCSs) with calculated values has proven to be a major difficulty. As a model, this study uses the pharmaceutical compound melphalan and a number of related molecules with alternative (gas-phase) protonation sites. Our study combines density functional theory (DFT) calculations with modified MobCal methods (e.g. nitrogen-based Trajectory Method algorithm) for the calculation of theoretical CCS values. Calculated structures can be linked to experimentally observed signals, and a strong correlation is found between the difference of the calculated dipole moments of the protomer pairs and their experimental CCS separation.

A gas ionisation Direct-STIM detector for MeV ion microscopy

International Nuclear Information System (INIS)

Norarat, Rattanaporn; Guibert, Edouard; Jeanneret, Patrick; Dellea, Mario; Jenni, Josef; Roux, Adrien; Stoppini, Luc; Whitlow, Harry J.

2015-01-01

Direct-Scanning Transmission Ion Microscopy (Direct-STIM) is a powerful technique that yields structural information in sub-cellular whole cell imaging. Usually, a Si p-i-n diode is used in Direct-STIM measurements as a detector. In order to overcome the detrimental effects of radiation damage which appears as a broadening in the energy resolution, we have developed a gas ionisation detector for use with a focused ion beam. The design is based on the ETH Frisch grid-less off-axis Geiger–Müller geometry. It is developed for use in a MeV ion microscope with a standard Oxford Microbeams triplet lens and scanning system. The design has a large available solid angle for other detectors (e.g. proton induced fluorescence). Here we report the performance for imaging ReNcells VM with μm resolution where energy resolutions of <24 keV fwhm could be achieved for 1 MeV protons using isobutane gas

Gas-phase water-mediated equilibrium between methylglyoxal and its geminal diol

Science.gov (United States)

Axson, Jessica L.; Takahashi, Kaito; De Haan, David O.; Vaida, Veronica

2010-01-01

In aqueous solution, aldehydes, and to a lesser extent ketones, hydrate to form geminal diols. We investigate the hydration of methylglyoxal (MG) in the gas phase, a process not previously considered to occur in water-restricted environments. In this study, we spectroscopically identified methylglyoxal diol (MGD) and obtained the gas-phase partial pressures of MG and MGD. These results, in conjunction with the relative humidity, were used to obtain the equilibrium constant, KP, for the water-mediated hydration of MG in the gas phase. The Gibbs free energy for this process, ΔG°, obtained as a result, suggests a larger than expected gas-phase diol concentration. This may have significant implications for understanding the role of organics in atmospheric chemistry. PMID:20142510

Ion-neutral gas reactions in a collision/reaction cell in inductively coupled plasma mass spectrometry: Correlation of ion signal decrease to kinetic rate constants

Energy Technology Data Exchange (ETDEWEB)

Gray, Patrick J. [Trace Element Research Laboratory, School of Earth Sciences, The Ohio State University, 125 S. Oval Mall, Columbus, OH 43210 (United States); Department of Chemistry, The Ohio State University, 120 18th Avenue, Columbus, OH 43210 (United States); Olesik, John W., E-mail: olesik.2@osu.edu [Trace Element Research Laboratory, School of Earth Sciences, The Ohio State University, 125 S. Oval Mall, Columbus, OH 43210 (United States)

2015-03-01

Reaction gas flow rate dependent Ar{sub 2}{sup +} and Ar{sup +} signals are correlated to fundamental kinetic rate coefficients. A simple calculation, assuming that gas exits the reaction cell due only to effusion, is described to estimate the gas pressure in the reaction cell. The value of the product of the kinetic rate constant and the ion residence time in the reaction cell can be determined from experimental measurement of the decrease in an ion signal as a function of reaction gas flow rate. New kinetic rate constants are determined for the reaction of CH{sub 3}F with Ar{sup +} and Ar{sub 2}{sup +}. - Highlights: • How to determine pressure and the product of the kinetic rate constant times the ion residence time in reaction cell • Relate measured ICP-DRC-MS signals versus gas flow rate to kinetic rate constants measured previously using SIFT-MS • Describe how to determine previously unmeasured kinetic rate constants using ICP-DRC-MS.

Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

Science.gov (United States)

Adams, Nigel G.; Fondren, L. Dalila; McLain, Jason L.; Jackson, Doug M.

2006-01-01

Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAHs, have been implicated as carriers of diffuse interstellar bands (DIBs) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C5H5N, C4H4N2, C5H11N and C4H8O2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C4H4(+), C3H3N(+) and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

The injection of inert gas ions into solids: their trapping and escape

International Nuclear Information System (INIS)

Carter, G.; Armour, D.G.; Donnelly, S.E.; Ingram, D.C.; Webb, R.P.

1980-01-01

Basic information is required to understand fission gas generation and its consequence for swelling and embrittlement in fission reactors, for understanding and controlling first wall problems in fusion reactors and for attempting to design storage for active gas waste. In all of these areas the rare gas atoms are generated with kinetic energy and may thus interact differently, during their slowing down, with the solid than if they had been introduced more gently (e.g. via diffusion) into the solid. An important method of simulating the behaviour of such energetic rare gas atoms in solids is via external irradiation of the solid with rare gas ions of appropriate species and energies and it is the purpose of this review to evaluate studies of this nature. The review is divided into three parts. The first describes experimental techniques, discusses the results of measurements of how ions penetrate into and may be retained in a solid, and outlines theoretical interpretations of the data. The mechanisms of gas atom dissolution and thermal transport in solids are of profound importance and so, in the second part of this review, attention is devoted to how the technique of post-implantation thermal evolution spectrometry can be employed to attempt to understand some of these processes. Particular attention is paid to the difficulties of unique interpretation of evolution spectra. In the final section, consideration will be given to the processes which lead to the inevitable saturation of solids undergoing continued irradiation with rare gas ions and experimental measurements and their probable interpretation will be discussed. Since many materials are of importance in the context of this symposium, reference will be made to as broad a range of studies as possible. (author)

Analysis of the expanding thermal argon-oxygen plasma gas phase

International Nuclear Information System (INIS)

Hest, M F A M van; Haartsen, J R; Weert, M H M van; Schram, D C; Sanden, M C M van de

2003-01-01

An expanding thermal argon plasma into which oxygen is injected has been analysed by means of Langmuir and Pitot probe measurements. Information is obtained on the ion density profile and the flow pattern in the downstream plasma. A combination of Langmuir and Pitot probe measurements provide information on the total ion flux generated by the plasma source (cascaded arc). It has been found that the ion diffusion is mainly determined by the background pressure in the expansion vessel and the arc current. The ion density is determined by the total power input into the plasma as well as the gas flow in the plasma source. There is an optimum in the power transfer used for ionization from plasma source to the feed gas. Interaction of oxygen with the plasma results in a decrease in the argon ion density and the plasma beam radius. The recirculation pattern of the downstream plasma has been investigated experimentally using the Pitot probe. Due to the low downstream pressure (10-30 Pa), the conventional compressible Pitot probe theory no longer applies. It is concluded that viscous effects start to play an important role at these low pressures and should be taken into account in the analysis of the Pitot probe measurements

Extraction of highly charged ions from the Berlin Electron Beam Ion Trap for interactions with a gas target

International Nuclear Information System (INIS)

Allen, F.I.; Biedermann, C.; Radtke, R.; Fussmann, G.

2006-01-01

Highly charged ions are extracted from the Berlin Electron Beam Ion Trap for investigations of charge exchange with a gas target. The classical over-the-barrier model for slow highly charged ions describes this process, whereby one or more electrons are captured from the target into Rydberg states of the ion. The excited state relaxes via a radiative cascade of the electron to ground energy. The cascade spectra are characteristic of the capture state. We investigate x-ray photons emitted as a result of interactions between Ar 17+ ions at energies ≤5q keV with Ar atoms. Of particular interest is the velocity dependence of the angular momentum capture state l c

Analysis of Ion-Exchange Resin Capability of the RSG-GAS Demineralized Water System (GCA01)

International Nuclear Information System (INIS)

Diyah Erlina Lestari; Setyo Budi Utomo; Harsono

2012-01-01

The Demineralized water system (GCA01) is a system which is function to process raw water to be demineralized water using ion exchange resin unit consisting of a column of cation exchange resins, anion exchange resin column and the column resin mix bed. After certain time the ion exchange resins to be saturated so that is needed regeneration. The RSG-GAS demineralized water system (GCA01) not operated continuously and indication of when does an ion exchange resin regeneration on The RSG-GAS demineralized water system (GCA01) is the water conductivity from anion exchange resin column output indicates ≥ 5μS/cm. Analysis of capability of the ion exchange resin demineralized water system (GCA01) line I has been performed. The analysis was done by comparing the time required in the system operating cycle of regeneration to the next regeneration during the period 2011 and 2012. From the results of the analysis showed the cycle regeneration time is varies. This shows that ion exchange resin capability of the RSG-GAS demineralized water system (GCA01) is varies depending on the raw water quality and success of the regeneration ion exchange resin. (author)

Gas-liquid two-phase flows in double inlet cyclones for natural gas separation

DEFF Research Database (Denmark)

Yang, Yan; Wang, Shuli; Wen, Chuang

2017-01-01

The gas-liquid two-phase flow within a double inlet cyclone for natural gasseparation was numerically simulated using the discrete phase model. The numericalapproach was validated with the experimental data, and the comparison resultsagreed well with each other. The simulation results showed...... that the strong swirlingflow produced a high centrifugal force to remove the particles from the gas mixture.The larger particles moved downward on the internal surface and were removeddue to the outer vortex near the wall. Most of the tiny particles went into the innervortex zones and escaped from the up...

Ion source developments for RNB production at Spiral / GANIL

International Nuclear Information System (INIS)

Villari, A.C.C.; Barue, C.; Gaubert, G.; Gibouin, S.; Huguet, Y.; Jardin, P.; Kandri-Rody, S.; Landre-Pellemoine, F.; Lecesne, N.; Leroy, R.; Lewitowicz, M.; Marry, C.; Maunoury, L.; Pacquet, J.Y.; Rataud, J.P.; Saint-Laurent, M.G.; Stodel, C.; Lichtenthaeler, R.; Angelique, J.C.; Orr, N.A.

2000-01-01

The first on-line production system for SPIRAL/GANIL (Radioactive Ion Production System with Acceleration on-Line) phase-I has been commissioned on the SIRa (Radioactive Ion Separator) test bench. Exotic multicharged noble gas ion beams have been obtained during several days. In parallel, a new ECRIS (Electron Cyclotron Resonance Ion Source) for mono-charged ions has also been developed. Preliminary, off-line results are presented. (authors)

Low pressure gas detectors for molecular-ion break up studies

International Nuclear Information System (INIS)

Breskin, A.; Chechik, R.; Zwang, N.

1981-01-01

Two detector systems for Molecular ions like OH + and CH 2 + and like H 2 + and H 3 + were developed and are described. The first detector is installed in a magnetic spectrometer. Both systems are made of various types of gas detectors operating at low pressures. In the study of the Coulomb explosion of molecular ions like OH + , CH 2 + or H 3 + these detectors provide the position and time coordinates of all the fragments of the molecular ion, in coincidence, in order to determine their energy and angular distribution. In the case of molecules containing atoms other than hydrogen, information on the electronic charge state is obtained. (H.K.)

SILP catalysis in gas-phase hydroformylation and carbonylation

Energy Technology Data Exchange (ETDEWEB)

Riisager, A.; Fehrmann, R. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemistry; Haumann, M.; Wasserscheid, P. [Univ. Erlangen-Nuernberg (Germany). Lehrstuhl fuer Chemische Reaktionstechnik

2006-07-01

Supported ionic liquid phase (SILP) catalysts are new materials consisting of an ionic liquid-metal catalyst solution highly dispersed on a porous support. The use of a non-volatile, ionic liquid catalyst phase in SILP catalysts results in a stable heterogeneous-type material with selectivity and efficiency like homogeneous catalysts. The silica-supported SILP Rh-bisphosphine hydroformylation catalyst exhibited good activities and excellent selectivities in gas phase hydroformylation with stability exceeding 700 hours time-on-stream. Spectroscopic and kinetic data confirmed the homogeneous nature of the catalyst. In the Rh- SILP catalysed carbonylation of methanol the formation of undesired by-products could be suppressed by variation of residence time and gas pressure. (orig.)

Amorphization of metals by ion implantation and ion beam mixing

International Nuclear Information System (INIS)

Rauschenbach, B.; Heera, V.

1988-01-01

Amorphous metallic systems can be formed either by high-fluence ion implantation of glassforming species or by irradiation of layered metal systems with inert gas ions. Both techniques and experimental examples are presented. Empirical rules are discussed which predict whether a given system can be transformed into an amorphous phase. Influence of temperature, implantation dose and pre-existing crystalline metal composition on amorphization is considered. Examples are given of the implantation induced amorphous structure, recrystallization and formation of quasicrystalline structures. (author)

Comparison of catalytic ethylene polymerization in slurry and gas phase

NARCIS (Netherlands)

Daftaribesheli, Majid

2009-01-01

Polyethylene (PE) with the annual consumption of 70 million tones in 2007 is mostly produced in slurry, gas-phase or combination of both processes. This work focuses on a comparison between the slurry and gas phase processes. Why does PE produced in theses two processes can show extremely different

Gas holdup in a reciprocating plate bioreactor: Non-Newtonian - liquid phase

Directory of Open Access Journals (Sweden)

Naseva Olivera S.

2002-01-01

Full Text Available The gas holdup was studied in non-newtonian liquids in a gas-liquid and gas-liquid-solid reciprocating plate bioreactor. Aqueous solutions of carboxy methyl cellulose (CMC; Lucel, Lučane, Yugoslavia of different degrees of polymerization (PP 200 and PP 1000 and concentration (0,5 and 1%, polypropylene spheres (diameter 8.3 mm; fraction of spheres: 3.8 and 6.6% by volume and air were used as the liquid, solid and gas phase. The gas holdup was found to be dependent on the vibration rate, the superficial gas velocity, volume fraction of solid particles and Theological properties of the liquid ohase. Both in the gas-liquid and gas-liquid-solid systems studied, the gas holdup increased with increasing vibration rate and gas flow rate. The gas holdup was higher in three-phase systems than in two-phase ones under otter operating conditions being the same. Generally the gas holdup increased with increasing the volume fraction of solid particles, due to the dispersion action of the solid particles, and decreased with increasing non-Newtonian behaviour (decreasing flow index i.e. with increasing degree of polymerization and solution concentration of CMC applied, as a result of gas bubble coalescence.

Gas-phase pesticide measurement using iodide ionization time-of-flight mass spectrometry

Directory of Open Access Journals (Sweden)

T. Murschell

2017-06-01

Full Text Available Volatilization and subsequent processing in the atmosphere are an important environmental pathway for the transport and chemical fate of pesticides. However, these processes remain a particularly poorly understood component of pesticide lifecycles due to analytical challenges in measuring pesticides in the atmosphere. Most pesticide measurements require long (hours to days sampling times coupled with offline analysis, inhibiting observation of meteorologically driven events or investigation of rapid oxidation chemistry. Here, we present chemical ionization time-of-flight mass spectrometry with iodide reagent ions as a fast and sensitive measurement of four current-use pesticides. These semi-volatile pesticides were calibrated with injections of solutions onto a filter and subsequently volatilized to generate gas-phase analytes. Trifluralin and atrazine are detected as iodide–molecule adducts, while permethrin and metolachlor are detected as adducts between iodide and fragments of the parent analyte molecule. Limits of detection (1 s are 0.37, 0.67, 0.56, and 1.1 µg m−3 for gas-phase trifluralin, metolachlor, atrazine, and permethrin, respectively. The sensitivities of trifluralin and metolachlor depend on relative humidity, changing as much as 70 and 59, respectively, as relative humidity of the sample air varies from 0 to 80 %. This measurement approach is thus appropriate for laboratory experiments and potentially near-source field measurements.

A simple alkali-metal and noble gas ion source for SIMS equipments with mass separation of the primary ions

International Nuclear Information System (INIS)

Duesterhoeft, H.; Pippig, R.

1986-01-01

An alkali-metal ion source working without a store of alkali-metals is described. The alkali-metal ions are produced by evaporation of alkali salts and ionization in a low-voltage arc discharge stabilized with a noble gas plasma or in the case of small alkali-metal ion currents on the base of the well known thermic ionization at a hot tungsten wire. The source is very simple in construction and produces a stable ion current of 0.3 μA for more than 100 h. It is possible to change the ion species in a short time. This source is applicable to all SIMS equipments using mass separation for primary ions. (author)

Phase transformations in nickel-aluminum alloys during ion beam mixing

International Nuclear Information System (INIS)

Eridon, J.; Rehn, L.; Was, G.

1986-01-01

The effect of ion beam mixing of nickel-aluminum alloys with 500 keV krypton ions has been investigated over a range of temperature, composition, ion dose, and post-irradiation thermal treatments. Samples were formed by alternate evaporation of layers of aluminum and nickel. A portion of these samples was subsequently annealed to form intermetallic compounds. Irradiations were performed at both room temperature and 80 0 K using the 2MV ion accelerator at Argonne National Laboratory. Phase transformations were observed during both in situ irradiations in the High Voltage Electron Microscope (HVEM) at Argonne, and also in subsequent analysis of an array of irradiated samples. Electron diffraction indicates the presence of metastable crystalline structures not present in the conventional nickel-aluminum phase diagram. Transformations occur at doses as low as 5 x 10 14 cm -2 and continue to develop as the irradiation progresses up to 2 x 10 16 cm -2 . Layer mixing is followed through Rutherford Backscattering analysis. Samples are also checked with x-rays and Electron Energy Loss Spectroscopy (EELS). A thermodynamic argument is presented to explain the phase transformations in terms of movements on a free energy diagram. This analysis explains the interesting paradox concerning the radiation hardness of the NiAl phase and the amorphous structure of mixed Ni-50% Al layers

Experimental station for gas phase fluorescence spectroscopy

International Nuclear Information System (INIS)

Stankiewicz, M.; Garcia, E. Melero; Ruiz, J. Alvarez; Erman, P.; Hatherly, P.A.; Kivimaeki, A.; Rachlew, E.; Rius i Riu, J.

2004-01-01

The details of an experimental setup for gas phase atomic and molecular fluorescence measurements using synchrotron radiation are described in this article. The most significant part of the apparatus is an optical arrangement, which allows for simultaneous measurements of dispersed as well as total fluorescence intensity using an effusive gas jet and an inbuilt gas cell assembled in a convenient plug and measure configuration. The first measurements concerning fluorescence of the N 2 molecule around the N 1s edge obtained with this setup are presented

Investigation of gas discharge ion sources for on-line mass separation

International Nuclear Information System (INIS)

Kirchner, R.

1976-03-01

The development of efficient gas discharge ion sources with axial beam extraction for on-line mass separation is described. The aim of the investigation was to increase the ion source temperature, the lifetime and the ionisation yield in comparison to present low-pressure are discharge ion sources and to reduce the ion current density from usually 1 to 100 mA/cm 3 . In all ion sources the pressure range below the minimal ignition pressure of the arc discharge was investigated. As a result an ion source was developed which works at small changes in geometry and in electric device of a Nielsen source with high ionization yield (up to 50% for xenon) stabil and without ignition difficulties up to 10 -5 Torr. At a typical pressure of 3 x 10 -5 Torr ion current and ion current density are about 1 μA and 0.1 mA/cm 3 respectively besides high yield and a great emission aperture (diameter 1.2 mm). (orig.) [de

CF3+ fragmentation by electron impact ionization of perfluoro-propyl-vinyl-ethers, C5F10O, in gas phase

Science.gov (United States)

Kondo, Yusuke; Ishikawa, Kenji; Hayashi, Toshio; Miyawaki, Yudai; Takeda, Keigo; Kondo, Hiroki; Sekine, Makoto; Hori, Masaru

2015-04-01

The gas phase fragmentations of perfluoro-propyl-vinyl ether (PPVE, C5F10O) are studied experimentally. Dominant fragmentations of PPVE are found to be the result of a dissociative ionization reaction, i.e., CF3+ via direct bond cleavage, and C2F3O- and C3F7O- via electron attachment. Regardless of the appearance energy of around 14.5 eV for the dissociative ionization of CF3+, the observed ion efficiency for the CF3+ ion was extremely large the order of 10-20 cm-2, compared with only 10-21 cm-2 for the other channels. PPVE characteristically generated CF3+ as the largest abundant ion are advantageous for use of feedstock gases in plasma etching processes.

Ion beam characteristics of the controlatron/zetatron family of the gas filled neutron tubes

Energy Technology Data Exchange (ETDEWEB)

Berg, R.S.; Shope, L.A.; O' Neal, M.L.; Boers, J.E.; Bickes, R.W. Jr.

1981-03-01

A gas filled tube used to produce a neutron flux with the D(T,He/sup 4/)n reaction is described. Deuterium and tritium ions generated in a reflex discharge are extracted and accelerated to 100 keV by means of an accelerator electrode onto a deutero-tritide target electrode. The electrodes are designed to focus the ion beam onto the target. Total tube currents consisting of extracted ions, unsuppressed secondary electrons, and ions generated by interactions with the background gas are typically 100 mA. The characteristics of the extracted ion beam are discussed. Accelerating voltages greater than 50 kV are required to focus the beam through the accelerator aperture for configurations that give beams with the proper energy density onto the target. The perveance of the beam is discussed. Maximum perveance values are 2 to 20 nanopervs. Tube focusing and neutron production characteristics are described.

Post-flame gas-phase sulfation of potassium chloride

DEFF Research Database (Denmark)

Li, Bo; Sun, Zhiwei; Li, Zhongshan

2013-01-01

The sulfation of KCl during biomass combustion has implications for operation and emissions: it reduces the rates of deposition and corrosion, it increases the formation of aerosols, and it leads to higher concentrations of HCl and lower concentrations of SO2 in the gas phase. Rigorously homogene......The sulfation of KCl during biomass combustion has implications for operation and emissions: it reduces the rates of deposition and corrosion, it increases the formation of aerosols, and it leads to higher concentrations of HCl and lower concentrations of SO2 in the gas phase. Rigorously...

Modeling the gas-particle partitioning of secondary organic aerosol: the importance of liquid-liquid phase separation

Directory of Open Access Journals (Sweden)

A. Zuend

2012-05-01

from ideal mixing in solutions containing inorganic ions and organics that cannot be ignored. Computationally much more efficient calculations relying on the assumption of a complete organic/electrolyte phase separation below a certain RH successfully reproduce gas-particle partitioning in systems in which the average oxygen-to-carbon (O:C ratio is lower than ~0.6, as in the case of α-pinene SOA, and bear the potential for implementation in atmospheric chemical transport models and chemistry-climate models. A full equilibrium calculation is the method of choice for accurate offline (box model computations, where high computational costs are acceptable. Such a calculation enables the most detailed predictions of phase compositions and provides necessary information on whether assuming a complete organic/electrolyte phase separation is a good approximation for a given aerosol system. Based on the group-contribution concept of AIOMFAC and O:C ratios as a proxy for polarity and hygroscopicity of organic mixtures, the results from the α-pinene system are also discussed from a more general point of view.

Formation of high oxide ion conductive phases in the sintered oxides of the system Bi2O3-Ln2O3 (Ln = La-Yb)

International Nuclear Information System (INIS)

Iwahara, H.; Esaka, T.; Sato, T.; Takahashi, T.

1981-01-01

The electrical conduction in various phases of the system Bi 2 O 3 -Ln 2 O 3 (Ln = La, Nd, Sm, Dy, Er, or Yb) was investigated by measuring ac conductivity and the emf of the oxygen gas concentration cell. High-oxide-ion conduction was observed in the rhombohedral and face-centered cubic (fcc) phase in these systems. The fcc phase could be stabilized over a wide range of temperature by adding a certain amount of Ln 2 O 3 . In these cases, the larger the atomic number of Ln, the lower the content of Ln 2 O 3 required to form the fcc solid solution, except in the case of Yb 2 O 3 . The oxide ion conductivity of this phase decreased with increasing content of Ln 2 O 3 . Maximum conductivity was obtained at the lower limit of the fcc solid solution formation range in each system, which was more than one order of magnitude higher than those of conventional stabilized zirconias. Lattice parameters of the fcc phase were calculated from the x-ray diffraction patterns. The relationship between the oxide ion conductivity and the lattice parameter was also discussed

High current vacuum arc ion source for heavy ion fusion

International Nuclear Information System (INIS)

Qi, N.; Schein, J.; Gensler, S.; Prasad, R.R.; Krishnan, M.; Brown, I.

1999-01-01

Heavy Ion fusion (HIF) is one of the approaches for the controlled thermonuclear power production. A source of heavy ions with charge states 1+ to 2+, in ∼0.5 A current beams with ∼20 micros pulse widths and ∼10 Hz repetition rates are required. Thermionic sources have been the workhorse for the HIF program to date, but suffer from sloe turn-on, heating problems for large areas, are limited to low (contact) ionization potential elements and offer relatively low ion fluxes with a charge state limited to 1+. Gas injection sources suffer from partial ionization and deleterious neutral gas effects. The above shortcomings of the thermionic ion sources can be overcome by a vacuum arc ion source. The vacuum arc ion source is a good candidate for HIF applications. It is capable of providing ions of various elements and different charge states, in short and long pulse bursts, with low emittance and high beam currents. Under a Phase-I STTR from DOE, the feasibility of the vacuum arc ion source for the HIF applications is investigated. An existing ion source at LBNL was modified to produce ∼0.5 A, ∼60 keV Gd (A∼158) ion beams. The experimental effort concentrated on beam noise reduction, pulse-to-pulse reproducibility and achieving low beam emittance at 0.5 A ion current level. Details of the source development will be reported

Experimental and numerical investigation of shock wave propagation through complex geometry, gas continuous, two-phase media

Energy Technology Data Exchange (ETDEWEB)

Chien-Chih Liu, James [Univ. of California, Berkeley, CA (United States)

1993-01-01

The work presented here investigates the phenomenon of shock wave propagation in gas continuous, two-phase media. The motivation for this work stems from the need to understand blast venting consequences in the HYLIFE inertial confinement fusion (ICF) reactor. The HYLIFE concept utilizes lasers or heavy ion beams to rapidly heat and compress D-T targets injected into the center of a reactor chamber. A segmented blanket of falling molten lithium or Li₂BeF₄ (Flibe) jets encircles the reactor`s central cavity, shielding the reactor structure from radiation damage, absorbing the fusion energy, and breeding more tritium fuel. X-rays from the fusion microexplosion will ablate a thin layer of blanket material from the surfaces which face toward the fusion site. This generates a highly energetic vapor, which mostly coalesces in the central cavity. The blast expansion from the central cavity generates a shock which propagates through the segmented blanket - a complex geometry, gas-continuous two-phase medium. The impulse that the blast gives to the liquid as it vents past, the gas shock on the chamber wall, and ultimately the liquid impact on the wall are all important quantities to the HYLIFE structural designers.

Operation of a TFTR ion source with a ground potential gas feed into the neutralizer

International Nuclear Information System (INIS)

Kamperschroer, J.H.; Dudek, L.E.; Grisham, L.R.; Newman, R.A.; O'Connor, T.E.; Stevenson, T.N.; von Halle, A.; Williams, M.D.; Wright, K.E.

1991-01-01

TFTR long pulse ion sources have been operated with gas fed only into the neutralizer. Gas for the plasma generator entered through the accelerator rather than directly into the arc chamber. This modification has been proposed for tritium beam operation to locate control electronics at ground potential and to simplify tritium plumbing. Source operation with this configuration and with the nominal gas system that feeds gas into both the ion source and the center of the neutralizer are compared. Comparison is based upon accelerator grid currents, beam composition, and neutral power delivered to the calorimeter. Charge exchange in the accelerator can be a significant loss mechanism in both systems at high throughput. A suitable operating point with the proposed system was found that requires 30% less gas than used presently. The extracted D + , D + 2 , and D + 3 fractions of the beam were found to be a function of the gas throughput; at similar throughputs, the two gas feed systems produced similar extracted ion fractions. Operation at the proposed gas efficient point results in a small reduction (relative to the old high throughput mode) in the extracted D + fraction of the beam from 77% to 71%, with concomitant changes in the D + 2 fraction from 18% to 26%, and 6% to 3% for D + 3 . The injected power is unchanged, ∼2.2 MW at 95 kV

Phase-Space Manipulation of Ultracold Ion Bunches with Time-Dependent Fields

International Nuclear Information System (INIS)

Reijnders, M. P.; Debernardi, N.; Geer, S. B. van der; Mutsaers, P. H. A.; Vredenbregt, E. J. D.; Luiten, O. J.

2010-01-01

All applications of high brightness ion beams depend on the possibility to precisely manipulate the trajectories of the ions or, more generally, to control their phase-space distribution. We show that the combination of a laser-cooled ion source and time-dependent acceleration fields gives new possibilities to perform precise phase-space control. We demonstrate reduction of the longitudinal energy spread and realization of a lens with control over its focal length and sign, as well as the sign of the spherical aberrations. This creates new possibilities to correct for the spherical and chromatic aberrations which are presently limiting the spatial resolution.

Ion transport membrane reactor systems and methods for producing synthesis gas

Science.gov (United States)

Repasky, John Michael

2015-05-12

Embodiments of the present invention provide cost-effective systems and methods for producing a synthesis gas product using a steam reformer system and an ion transport membrane (ITM) reactor having multiple stages, without requiring inter-stage reactant injections. Embodiments of the present invention also provide techniques for compensating for membrane performance degradation and other changes in system operating conditions that negatively affect synthesis gas production.

Self-Assembled Gold Nano-Ripple Formation by Gas Cluster Ion Beam Bombardment.

Science.gov (United States)

Tilakaratne, Buddhi P; Chen, Quark Y; Chu, Wei-Kan

2017-09-08

In this study, we used a 30 keV argon cluster ion beam bombardment to investigate the dynamic processes during nano-ripple formation on gold surfaces. Atomic force microscope analysis shows that the gold surface has maximum roughness at an incident angle of 60° from the surface normal; moreover, at this angle, and for an applied fluence of 3 × 10 16 clusters/cm², the aspect ratio of the nano-ripple pattern is in the range of ~50%. Rutherford backscattering spectrometry analysis reveals a formation of a surface gradient due to prolonged gas cluster ion bombardment, although the surface roughness remains consistent throughout the bombarded surface area. As a result, significant mass redistribution is triggered by gas cluster ion beam bombardment at room temperature. Where mass redistribution is responsible for nano-ripple formation, the surface erosion process refines the formed nano-ripple structures.

Synthesizing single-phase β-FeSi2 via ion beam irradiations of Fe/Si bilayers

International Nuclear Information System (INIS)

Milosavljevic, M.; Dhar, S.; Schaaf, P.; Bibic, N.; Lieb, K.P.

2001-01-01

This paper presents results on the direct synthesis of the β-FeSi 2 phase by ion beam mixing of Fe/Si bilayers with Xe ions. The influence of the substrate temperature, ion fluence and energy on the growth of this phase was investigated using Rutherford backscattering (RBS), X-ray diffraction (XRD) and conversion electron Moessbauer spectroscopy (CEMS). Complete growth of single-phase β-FeSi 2 was achieved by 205 keV Xe ion irradiation to a fluence of 2x10 16 ions/cm 2 at 600 deg. C. We propose a two-step reaction mechanism involving thermal and ion beam energy deposition

Multiaperture ion beam extraction from gas-dynamic electron cyclotron resonance source of multicharged ions

International Nuclear Information System (INIS)

Sidorov, A.; Dorf, M.; Zorin, V.; Bokhanov, A.; Izotov, I.; Razin, S.; Skalyga, V.; Rossbach, J.; Spaedtke, P.; Balabaev, A.

2008-01-01

Electron cyclotron resonance ion source with quasi-gas-dynamic regime of plasma confinement (ReGIS), constructed at the Institute of Applied Physics, Russia, provides opportunities for extracting intense and high-brightness multicharged ion beams. Despite the short plasma lifetime in a magnetic trap of a ReGIS, the degree of multiple ionization may be significantly enhanced by the increase in power and frequency of the applied microwave radiation. The present work is focused on studying the intense beam quality of this source by the pepper-pot method. A single beamlet emittance measured by the pepper-pot method was found to be ∼70 π mm mrad, and the total extracted beam current obtained at 14 kV extraction voltage was ∼25 mA. The results of the numerical simulations of ion beam extraction are found to be in good agreement with experimental data

Device to remove hydrogen isotopes from a gas phase

International Nuclear Information System (INIS)

Morlock, G.; Wiesemes, J.; Bachner, D.

1977-01-01

The device described here guarantees the selective removal of hydrogen isotopes from gas phases in order to prevent the occurence of explosive H 2 gas mixtures, or to separate off radioactive tritium in nuclear plants from the gas phase. It consists of a closed container whose walls are selectively penetrable by hydrogen isotopes. It is simultaneously filled compactly and presssure-resistant with a metal bulk (e.g. powder, sponges or the like of titanium or other hydrogen isotope binding metal). Walling and bulk are maintained at suitable working temperatures by means of a system according to the Peltier effect. The whole thing is safeguarded by protective walling. (RB) [de

Deprotonation effect of tetrahydrofuran-2-carbonitrile buffer gas dopant in ion mobility spectrometry.

Science.gov (United States)

Fernandez-Maestre, Roberto; Meza-Morelos, Dairo; Wu, Ching

2016-06-15

When dopants are introduced into the buffer gas of an ion mobility spectrometer, spectra are simplified due to charge competition. We used electrospray ionization to inject tetrahydrofuran-2-carbonitrile (F, 2-furonitrile or 2-furancarbonitrile) as a buffer gas dopant into an ion mobility spectrometer coupled to a quadrupole mass spectrometer. Density functional theory was used for theoretical calculations of dopant-ion interaction energies and proton affinities, using the hybrid functional X3LYP/6-311++(d,p) with the Gaussian 09 program that accounts for the basis set superposition error; analytes structures and theoretical calculations with Gaussian were used to explain the behavior of the analytes upon interaction with F. When F was used as a dopant at concentrations below 1.5 mmol m(-3) in the buffer gas, ions were not observed for α-amino acids due to charge competition with the dopant; this deprotonation capability arises from the production of a dimer with a high formation energy that stabilized the positive charge and created steric hindrance that deterred the equilibrium with analyte ions. F could not completely strip other compounds of their charge because they either showed steric hindrance at the charge site that deterred the approach of the dopant (2,4-lutidine, and DTBP), formed intramolecular bonds that stabilized the positive charge (atenolol), had high proton affinity (2,4-lutidine, DTBP, valinol and atenolol), or were inherently ionic (tetraalkylammonium ions). This selective deprotonation suggests the use of F to simplify spectra of complex mixtures in ion mobility and mass spectrometry in metabolomics, proteomics and other studies that generate complex spectra with thousands of peaks. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Investigation of ion kinetic effects in direct-drive exploding-pusher implosions at the NIF

Energy Technology Data Exchange (ETDEWEB)

Rosenberg, M. J., E-mail: mrosenbe@mit.edu; Zylstra, A. B.; Séguin, F. H.; Rinderknecht, H. G.; Frenje, J. A.; Gatu Johnson, M.; Sio, H.; Waugh, C. J.; Sinenian, N.; Li, C. K.; Petrasso, R. D. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); McKenty, P. W.; Hohenberger, M.; Radha, P. B.; Delettrez, J. A.; Glebov, V. Yu.; Betti, R.; Goncharov, V. N.; Knauer, J. P.; Sangster, T. C. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States); and others

2014-12-15

Measurements of yield, ion temperature, areal density (ρR), shell convergence, and bang time have been obtained in shock-driven, D{sub 2} and D{sup 3}He gas-filled “exploding-pusher” inertial confinement fusion (ICF) implosions at the National Ignition Facility to assess the impact of ion kinetic effects. These measurements probed the shock convergence phase of ICF implosions, a critical stage in hot-spot ignition experiments. The data complement previous studies of kinetic effects in shock-driven implosions. Ion temperature and fuel ρR inferred from fusion-product spectroscopy are used to estimate the ion-ion mean free path in the gas. A trend of decreasing yields relative to the predictions of 2D DRACO hydrodynamics simulations with increasing Knudsen number (the ratio of ion-ion mean free path to minimum shell radius) suggests that ion kinetic effects are increasingly impacting the hot fuel region, in general agreement with previous results. The long mean free path conditions giving rise to ion kinetic effects in the gas are often prevalent during the shock phase of both exploding pushers and ablatively driven implosions, including ignition-relevant implosions.

Determination of N,N-dimethyltryptamine in beverages consumed in religious practices by headspace solid-phase microextraction followed by gas chromatography ion trap mass spectrometry.

Science.gov (United States)

Gaujac, Alain; Dempster, Nicola; Navickiene, Sandro; Brandt, Simon D; de Andrade, Jailson Bittencourt

2013-03-15

A novel analytical approach combining solid-phase microextraction (SPME)/gas chromatography ion trap mass spectrometry (GC-IT-MS) was developed for the detection and quantification N,N-dimethyltryptamine (DMT), a powerful psychoactive indole alkaloid present in a variety of South American indigenous beverages, such as ayahuasca and vinho da jurema. These particular plant products, often used within a religious context, are increasingly consumed throughout the world following an expansion of religious groups and the availability of plant material over the Internet and high street shops. The method described in the present study included the use of SPME in headspace mode combined GC-IT-MS and included the optimization of the SPME procedure using multivariate techniques. The method was performed with a polydimethylsiloxane/divinylbenzene (PDMS/DVB) fiber in headspace mode (70 min at 60 °C) which resulted in good precision (RSDvinho da jurema samples, obtained from Brazilian religious groups, which revealed DMT concentration levels between 0.10 and 1.81 g L(-1). Copyright © 2013 Elsevier B.V. All rights reserved.

The bare uranyl(2+) ion, UO22+

International Nuclear Information System (INIS)

Cornehl, H.H.; Heinemann, C.; Marcalo, J.; Pires de Matos, A.; Schwarz, H.

1996-01-01

Ion-molecule reactions between U 2+ and oxygen donors or charge-stripping collisions between singly charged UO 2 2 ions and O 2 collision partners generate uranyl(2+) ions in the gas phase. These do not readily dissociate into singly charged fragments. The standard enthalpy of formation for UO 2 2+ is estimated to be 371±60 kcal mol -1 , in accord with the results of ab initio calculations. (orig.)

Atomic and molecular physics in the gas phase

International Nuclear Information System (INIS)

Toburen, L.H.

1990-09-01

The spatial and temporal distributions of energy deposition by high-linear-energy-transfer radiation play an important role in the subsequent chemical and biological processes leading to radiation damage. Because the spatial structures of energy deposition events are of the same dimensions as molecular structures in the mammalian cell, direct measurements of energy deposition distributions appropriate to radiation biology are infeasible. This has led to the development of models of energy transport based on a knowledge of atomic and molecular interactions process that enable one to simulate energy transfer on an atomic scale. Such models require a detailed understanding of the interactions of ions and electrons with biologically relevant material. During the past 20 years there has been a great deal of progress in our understanding of these interactions; much of it coming from studies in the gas phase. These studies provide information on the systematics of interaction cross sections leading to a knowledge of the regions of energy deposition where molecular and phase effects are important and that guide developments in appropriate theory. In this report studies of the doubly differential cross sections, crucial to the development of stochastic energy deposition calculations and track structure simulation, will be reviewed. Areas of understanding are discussed and directions for future work addressed. Particular attention is given to experimental and theoretical findings that have changed the traditional view of secondary electron production for charged particle interactions with atomic and molecular targets

Characterization of carbon ion implantation induced graded microstructure and phase transformation in stainless steel

Energy Technology Data Exchange (ETDEWEB)

Feng, Kai; Wang, Yibo [Shanghai Key laboratory of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Li, Zhuguo, E-mail: lizg@sjtu.edu.cn [Shanghai Key laboratory of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Chu, Paul K. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

2015-08-15

Austenitic stainless steel 316L is ion implanted by carbon with implantation fluences of 1.2 × 10{sup 17} ions-cm{sup −} {sup 2}, 2.4 × 10{sup 17} ions-cm{sup −} {sup 2}, and 4.8 × 10{sup 17} ions-cm{sup −} {sup 2}. The ion implantation induced graded microstructure and phase transformation in stainless steel is investigated by X-ray diffraction, X-ray photoelectron spectroscopy and high resolution transmission electron microscopy. The corrosion resistance is evaluated by potentiodynamic test. It is found that the initial phase is austenite with a small amount of ferrite. After low fluence carbon ion implantation, an amorphous layer and ferrite phase enriched region underneath are formed. Nanophase particles precipitate from the amorphous layer due to energy minimization and irradiation at larger ion implantation fluence. The morphology of the precipitated nanophase particles changes from circular to dumbbell-like with increasing implantation fluence. The corrosion resistance of stainless steel is enhanced by the formation of amorphous layer and graphitic solid state carbon after carbon ion implantation. - Highlights: • Carbon implantation leads to phase transformation from austenite to ferrite. • The passive film on SS316L becomes thinner after carbon ion implantation. • An amorphous layer is formed by carbon ion implantation. • Nanophase precipitate from amorphous layer at higher ion implantation fluence. • Corrosion resistance of SS316L is improved by carbon implantation.

Ground state of a hydrogen ion molecule immersed in an inhomogeneous electron gas

International Nuclear Information System (INIS)

Diaz-Valdes, J.; Gutierrez, F.A.; Matamala, A.R.; Denton, C.D.; Vargas, P.; Valdes, J.E.

2007-01-01

In this work we have calculated the ground state energy of the hydrogen molecule, H 2 + , immersed in the highly inhomogeneous electron gas around a metallic surface within the local density approximation. The molecule is perturbed by the electron density of a crystalline surface of Au with the internuclear axis parallel to the surface. The surface spatial electron density is calculated through a linearized band structure method (LMTO-DFT). The ground state of the molecule-ion was calculated using the Born-Oppenheimer approximation for a fixed-ion while the screening effects of the inhomogeneous electron gas are depicted by a Thomas-Fermi like electrostatic potential. We found that within our model the molecular ion dissociates at the critical distance of 2.35a.u. from the first atomic layer of the solid

Influence of the ion implantation on the nanoscale intermetallic phases formation in Ni-Ti system

International Nuclear Information System (INIS)

Kalashnikov, M.P.; Kurzina, I.A.; Bozhko, I.A.; Kozlov, E.V.; Fortuna, S.V.; Sivin, D.O.; Stepanov, I.B.; Sharkeev, Yu.P.

2005-01-01

Full text: The ion implantation at a high intensity mode is an effective method for modification of the surface properties of metals and alloys. Improvement of mechanical and tribological properties of irradiated materials using the high intensity implantation is connected with an element composition and microstructure modification of the surface and subsurface layers. One shows a great interest in intermetallic phase's synthesis by ion implantation, because of unique physical-mechanical properties of the intermetallic compounds. The influence of the irradiation conditions on the structural state and surface properties of implanted materials is not clear enough. The study of the factors influencing on the formation of the surface ion - alloyed layers of metal targets having the high tribological and mechanical properties by high intensity ion implantation is actual. The aim of the present work is a study of the microstructure, phase composition, physical and mechanical properties of the ion-alloyed Ni surfaces formed at high intensity implantation of Ti ions. The implantation Ti ions into Ni samples at high intensity mode was realized using ion source 'Raduga - 5'. The implantation Ti ions into Ni was carried out at accelerating voltage 20 kV for 2 h. The regimes were differed in the samples temperature (580 - 700 K), the distance from the ion implanted samples to the ion source (0.43-0.93 m) and the dose of irradiated ions (0.3·10 18 -2.9·10 18 ion/cm -2 ). The element composition of the implanted samples was analyzed by the electron spectroscopy. The structural-phase state of the Ni ion-modified layers was investigated by the transmission electron microscopy and X-ray diffraction methods. Additionally, the investigation of mechanical and tribological properties of the implanted Ni samples was carried out. It was established that the maximum thickness of the ion-alloyed nickel layers at high intensity mode allows forming the nanoscale intermetallic phases (Ni

SVOC partitioning between the gas phase and settled dust indoors

Science.gov (United States)

Weschler, Charles J.; Nazaroff, William W.

2010-09-01

Semivolatile organic compounds (SVOCs) are a major class of indoor pollutants. Understanding SVOC partitioning between the gas phase and settled dust is important for characterizing the fate of these species indoors and the pathways by which humans are exposed to them. Such knowledge also helps in crafting measurement programs for epidemiological studies designed to probe potential associations between exposure to these compounds and adverse health effects. In this paper, we analyze published data from nineteen studies that cumulatively report measurements of dustborne and airborne SVOCs in more than a thousand buildings, mostly residences, in seven countries. In aggregate, measured median data are reported in these studies for 66 different SVOCs whose octanol-air partition coefficients ( Koa) span more than five orders of magnitude. We use these data to test a simple equilibrium model for estimating the partitioning of an SVOC between the gas phase and settled dust indoors. The results demonstrate, in central tendency, that a compound's octanol-air partition coefficient is a strong predictor of its abundance in settled dust relative to its gas phase concentration. Using median measured results for each SVOC in each study, dustborne mass fractions predicted using Koa and gas-phase concentrations correlate reasonably well with measured dustborne mass fractions ( R2 = 0.76). Combined with theoretical understanding of SVOC partitioning kinetics, the empirical evidence also suggests that for SVOCs with high Koa values, the mass fraction in settled dust may not have sufficient time to equilibrate with the gas phase concentration.

Formation of InN phase by sequential ion implantation

International Nuclear Information System (INIS)

Santhana Raman, P.; Ravichandran, V.; Nair, K.G.M.; Kesavamoorthy, R.; Kalavathi, S.; Panigrahi, B.K.; Dhara, S.

2006-01-01

Formation of InN phase by sequentially implanting nitrogen on indium implanted silica was demonstrated. The growth of embedded InN phase on as-implanted and post-implantation annealed sample was studied using Glancing Incidence X-Ray Diffraction (GIXRD) and Raman spectroscopy. Existence of both cubic and hexagonal phases of InN was observed. Results of irradiation induced ripening of In nanoclusters due to N + ion implantation was also studied. (author)

Magnetically insulated ion diode with a gas-breakdown plasma anode

International Nuclear Information System (INIS)

Greenly, J.B.; Ueda, M.; Rondeau, G.D.; Hammer, D.A.

1987-12-01

An active anode plasma source has been developed for use in a magnetically insulated ion diode operated on a 10 sup(10)W pulsed power generator. This source uses an inductive voltage from a single turn coil to break down an annular gas puff produced by a supersonic nozzle. The resulting plasma is magnetically driven toward the radial insulating magnetic field in the diode accelerating gap and stagnates at a well-defined surface after about 300ns to form a plasma anode layer defined by magnetic flux surfaces. An ion beam is then extracted from this plasma layer by applying a 150kV, 1 μs pulse to the accelerating gap. Optimization of the timing of the gas puff, the plasma production discharge and the high voltage pulse has resulted in 1μs duration 75-150KeV ion beam pulses with >100A/cm sup(2) peak ion current density over an area of about 400cm sup(2). Up to 5J/cm sup(2) has been collected by a 4cm sup(2) calorimeter. The diode impedance history can be varied so that rising, flat, and falling voltage pulse waveforms can be produced. Streak photographs of beamlets impinging on a scintillator and time integrated targets both show beam divergence angles ≤3 sup(0). However, under certain operating conditions, large excursions (∼25 sup(0)) in mean aiming angle on time scales of 20-200ns are observed. (author)

Size distribution of alkyl amines in continental particulate matter and their online detection in the gas and particle phase

Directory of Open Access Journals (Sweden)

T. C. VandenBoer

2011-05-01

Full Text Available An ion chromatographic method is described for the quantification of the simple alkyl amines: methylamine (MA, dimethylamine (DMA, trimethylamine (TMA, ethylamine (EA, diethylamine (DEA and triethylamine (TEA, in the ambient atmosphere. Limits of detection (3σ are in the tens of pmol range for all of these amines, and good resolution is achieved for all compounds except for TMA and DEA. The technique was applied to the analysis of time-integrated samples collected using a micro-orifice uniform deposition impactor (MOUDI with ten stages for size resolution of particles with aerodynamic diameters between 56 nm and 18 μm. In eight samples from urban and rural continental airmasses, the mass loading of amines consistently maximized on the stage corresponding to particles with aerodynamic diameters between 320 and 560 nm. The molar ratio of amines to ammonium (R₃NH⁺/NH₄⁺ in fine aerosol ranged between 0.005 and 0.2, and maximized for the smallest particle sizes. The size-dependence of the R₃NH⁺/NH₄⁺ ratio indicates differences in the relative importance of the processes leading to the incorporation of amines and ammonia into secondary particles. The technique was also used to make simultaneous hourly online measurements of amines in the gas phase and in fine particulate matter using an Ambient Ion Monitor Ion Chromatograph (AIM-IC. During a ten day campaign in downtown Toronto, DMA, TMA + DEA, and TEA were observed to range from below detection limit to 2.7 ppt in the gas phase. In the particle phase, MAH⁺ and TMAH⁺ + DEAH⁺ were observed to range from below detection limit up to 15 ng m⁻³. The presence of detectable levels of amines in the particle phase corresponded to periods with higher relative humidity and higher mass loadings of nitrate. While the hourly measurements made using the AIM-IC provide data that can

A global model for SF6 plasmas coupling reaction kinetics in the gas phase and on the surface of the reactor walls

International Nuclear Information System (INIS)

Kokkoris, George; Panagiotopoulos, Apostolos; Gogolides, Evangelos; Goodyear, Andy; Cooke, Mike

2009-01-01

Gas phase and reactor wall-surface kinetics are coupled in a global model for SF 6 plasmas. A complete set of gas phase and surface reactions is formulated. The rate coefficients of the electron impact reactions are based on pertinent cross section data from the literature, which are integrated over a Druyvesteyn electron energy distribution function. The rate coefficients of the surface reactions are adjustable parameters and are calculated by fitting the model to experimental data from an inductively coupled plasma reactor, i.e. F atom density and pressure change after the ignition of the discharge. The model predicts that SF 6 , F, F 2 and SF 4 are the dominant neutral species while SF 5 + and F - are the dominant ions. The fit sheds light on the interaction between the gas phase and the reactor walls. A loss mechanism for SF x radicals by deposition of a fluoro-sulfur film on the reactor walls is needed to predict the experimental data. It is found that there is a net production of SF 5 , F 2 and SF 6 , and a net consumption of F, SF 3 and SF 4 on the reactor walls. Surface reactions as well as reactions between neutral species in the gas phase are found to be important sources and sinks of the neutral species.

Gas cluster ion beam assisted NiPt germano-silicide formation on SiGe

Energy Technology Data Exchange (ETDEWEB)

Ozcan, Ahmet S., E-mail: asozcan@us.ibm.com [IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120 (United States); Lavoie, Christian; Jordan-Sweet, Jean [IBM T. J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, New York 10598 (United States); Alptekin, Emre; Zhu, Frank [IBM Semiconductor Research and Development Center, 2070 Route 52, Hopewell Junction, New York 12533 (United States); Leith, Allen; Pfeifer, Brian D.; LaRose, J. D.; Russell, N. M. [TEL Epion Inc., 900 Middlesex Turnpike, Bldg. 6, Billerica, Massachusetts 01821 (United States)

2016-04-21

We report the formation of very uniform and smooth Ni(Pt)Si on epitaxially grown SiGe using Si gas cluster ion beam treatment after metal-rich silicide formation. The gas cluster ion implantation process was optimized to infuse Si into the metal-rich silicide layer and lowered the NiSi nucleation temperature significantly according to in situ X-ray diffraction measurements. This novel method which leads to more uniform films can also be used to control silicide depth in ultra-shallow junctions, especially for high Ge containing devices, where silicidation is problematic as it leads to much rougher interfaces.

Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

Energy Technology Data Exchange (ETDEWEB)

Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

2008-12-08

The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

Method of removing alkyl iodides or mixtures of iodine and alkyl iodides from a gas phase and an aqueous solution phase by utilizing ion exchange resins

International Nuclear Information System (INIS)

Shimizu, Hiroshi; Mizuuchi, Noboru; Yokoyama, Fumio.

1967-01-01

Alkyl iodides and mixtures of iodine and alkyl iodides are removed from a gas phase and an aquous solution phase by using solely an anion exchange resin containing a tertiary amine or together with an anion exchange resin containing quarternary ammonium compound. The resin containing the quarternary ammonium compound is employed mainly to remove iodine, and the resin containing the tertiary amine serves mainly to remove alkyl iodides. The method can be applied to collecting a majority of the methyl iodide as well as the radioactive iodine produced in the atmosphere of a reactor in case of a fuel accident. In embodiments, it is desirable to maintain the sufficient moisture content of the anion exchange resins at a sufficient moisture level so as not to reduce the migration speed of the iodine and alkyl iodides. The iodine and alkyl iodide can be produced with high efficiency and stability independently of the relative humidity of the gas phase. In examples, a solution which consists of 20.5 mg/l of iodine and 42.2mg/l of methyl iodide flew through a column of Amberite IRA-93 alone or blended with IRA-900 at a speed of 15 /hr. respectively. The resins were able to treat 400 times their equivalent in water. (Iwakiri, K.)

Buffer gas cooling of ions stored in an R.F. trap: Computed properties of the ionic cloud

International Nuclear Information System (INIS)

Alili, A.; Andre, J.; Vedel, F.

1988-01-01

The spatial and energetic properties of an ion cloud confined in an RF quadrupole trap, together with the lifetimes of the confined ions, have been computed by statistical methods and recently by a simulation method. The influences of different parameters such as ion mass, buffer gas mass, working point in the stability diagram, 'weak' space-charge and shape of the velocity distribution of the cooling buffer gas have been investigated and are described. (orig.)

Gas phase decontamination of gaseous diffusion process equipment

International Nuclear Information System (INIS)

Bundy, R.D.; Munday, E.B.; Simmons, D.W.; Neiswander, D.W.

1994-01-01

D ampersand D of the process facilities at the gaseous diffusion plants (GDPs) will be an enormous task. The EBASCO estimate places the cost of D ampersand D of the GDP at the K-25 Site at approximately $7.5 billion. Of this sum, nearly $4 billion is associated with the construction and operation of decontamination facilities and the dismantlement and transport of contaminated process equipment to these facilities. In situ long-term low-temperature (LTLT) gas phase decontamination is being developed and demonstrated at the K-25 site as a technology that has the potential to substantially lower these costs while reducing criticality and safeguards concerns and worker exposure to hazardous and radioactive materials. The objective of gas phase decontamination is to employ a gaseous reagent to fluorinate nonvolatile uranium deposits to form volatile LJF6, which can be recovered by chemical trapping or freezing. The LTLT process permits the decontamination of the inside of gas-tight GDP process equipment at room temperature by substituting a long exposure to subatmospheric C1F for higher reaction rates at higher temperatures. This paper outlines the concept for applying LTLT gas phase decontamination, reports encouraging laboratory experiments, and presents the status of the design of a prototype mobile system. Plans for demonstrating the LTLT process on full-size gaseous diffusion equipment are also outlined briefly

Local gas- and liquid-phase measurements for air-water two-phase flows in a rectangular channel

International Nuclear Information System (INIS)

Zhou, X.; Sun, X.; Williams, M.; Fu, Y.; Liu, Y.

2014-01-01

Local gas- and liquid-phase measurements of various gas-liquid two-phase flows, including bubbly, cap-bubbly, slug, and churn-turbulent flows, were performed in an acrylic vertical channel with a rectangular cross section of 30 mm x 10 mm and height of 3.0 m. All the measurements were carried out at three measurement elevations along the flow channel, with z/D h = 9, 72, and 136, respectively, to study the flow development. The gas-phase velocity, void fraction, and bubble number frequency were measured using a double-sensor conductivity probe. A high-speed imaging system was utilized to perform the flow regime visualization and to provide additional quantitative information of the two-phase flow structure. An image processing scheme was developed to obtain the gas-phase velocity, void fraction, Sauter mean diameter, bubble number density, and interfacial area concentration. The liquid-phase velocity and turbulence measurements were conducted using a particle image velocimetry-planar laser-induced fluorescence (PIV-PLIF) system, which enables whole-field and high-resolution data acquisition. An optical phase separation method, which uses fluorescent particles and optical filtration technique, is adopted to extract the velocity information of the liquid phase. An image pre-processing scheme is imposed on the raw PIV images acquired to remove noises due to the presence of bubble residuals and optically distorted particles in the images captured by the PIV-PLIF system. Due to the better light access and less bubble distortion in the narrow rectangular channel, the PIV-PLIF system were able to perform reasonably well in flows of even higher void fractions as compared to the situations with circular pipe test sections. The flow conditions being studied covered various flow regime transitions, void fractions, and liquid-phase flow Reynolds numbers. The obtained experimental data can also be used to validate two-phase CFD results. (author)

Measurements of ion mobility in argon and neon based gas mixtures

CERN Document Server

INSPIRE-00507268

2017-01-01

As gaseous detectors are operated at high rates of primary ionisation, ions created in the detector have a considerable impact on the performance of the detector. The upgraded ALICE Time Projection Chamber (TPC) will operate during LHC Run$\\,3$ with a substantial space charge density of positive ions in the drift volume. In order to properly simulate such space charges, knowledge of the ion mobility $K$ is necessary. To this end, a small gaseous detector was constructed and the ion mobility of various gas mixtures was measured. To validate the corresponding signal analysis, simulations were performed. Results are shown for several argon and neon based mixtures with different $\\textrm{CO}_2$ fractions. A decrease of $K$ was measured for increasing water content.

Biofilm structure and mass transfer in a gas phase trickle-bed biofilter.

Science.gov (United States)

Zhu, X; Suidan, M T; Alonso, C; Yu, T; Kim, B J; Kim, B R

2001-01-01

Mass transport phenomena occurring in the biofilms of gas phase trickle-bed biofilters are investigated in this study. The effect of biofilm structure on mass transfer mechanisms is examined using experimental observation from the operating of biofilters, microelectrode techniques and microscopic examination. Since the biofilms of biofilters used for waste gas treatment are not completely saturated with water, there is not a distinguishable liquid layer outside the biofilm. Results suggest that due to this characteristic, gas phase substrates (such as oxygen or volatile organic compounds) may not be limited by the aqueous phase because transport of the compound into the biofilm can occur directly through non-wetted areas. On the other hand, for substrates that are present only in the liquid phase, such as nitrate, the mass transfer limitation is more serious because of the limited liquid supply. Microscopic observations show that a layered structure with void spaces exists within the biofilm. Oxygen concentration distributions along the depth of the biofilms are examined using an oxygen microelectrode. Results indicate that there are some high dissolved oxygen zones inside the biofilm, which suggests the existence of passages for oxygen transfer into the deeper sections of the biofilm in a gas phase trickle-bed biofilter. Both the low gas-liquid mass transfer resistance and the resulting internal structure contribute to the high oxygen penetration within the biofilms in gas phase trickle-bed biofilters.

Using different drift gases to change separation factors (alpha) in ion mobility spectrometry

Science.gov (United States)

Asbury; Hill

2000-02-01

The use of different drift gases to alter separation factors (alpha) in ion mobility spectrometry has been demonstrated. The mobility of a series of low molecular weight compounds and three small peptides was determined in four different drift gases. The drift gases chosen were helium, argon, nitrogen, and carbon dioxide. These drift gases provide a range of polarizabilities and molecular weights. In all instances, the compounds showed the greatest mobility in helium and the lowest mobility in carbon dioxide; however the percentage change of mobility for each compound was different, effectively changing the alpha value. The alpha value changes were primarily due to differences in drift gas polarizability but were also influenced by the mass of the drift gas. In addition, gas-phase ion radii were calculated in each of the different drift gases. These radii were then plotted against drift gas polarizability producing linear plots with r2 values greater than 0.99. The intercept of these plots provides the gas-phase radius of an ion in a nonpolarizing environment, whereas the slope is indicative of the magnitude of the ion's mobility change related to polarizability. It therefore, should be possible to separate any two compounds that have different slopes with the appropriate drift gas.

Surface functionalization of epitaxial graphene on SiC by ion irradiation for gas sensing application

Energy Technology Data Exchange (ETDEWEB)

Kaushik, Priya Darshni, E-mail: kaushik.priyadarshni@gmail.com [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Department of Physics, Jamia Millia Islamia, New Delhi, 110025 (India); Ivanov, Ivan G.; Lin, Pin-Cheng [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Kaur, Gurpreet [Department of Physics and Astrophysics, University of Delhi, Delhi, 110007 (India); Eriksson, Jens [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Lakshmi, G.B.V.S. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi, 110067 (India); Avasthi, D.K. [Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi, 110067 (India); Amity Institute of Nanotechnology, Noida 201313 (India); Gupta, Vinay [Department of Physics and Astrophysics, University of Delhi, Delhi, 110007 (India); Aziz, Anver; Siddiqui, Azher M. [Department of Physics, Jamia Millia Islamia, New Delhi, 110025 (India); Syväjärvi, Mikael [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden); Yazdi, G. Reza, E-mail: yazdi@ifm.liu.se [Department of Physics, Chemistry and Biology, Linköping University, SE-58183 Linköping (Sweden)

2017-05-01

Highlights: • For the first time the gas sensing application of SHI irradiated epitaxial graphene on SiC is explored. • Surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles. • Existence of an optimal fluence which maximize the gas sensing response towards NO{sub 2} and NH{sub 3} gases. - Abstract: In this work, surface functionalization of epitaxial graphene grown on silicon carbide was performed by ion irradiation to investigate their gas sensing capabilities. Swift heavy ion irradiation using 100 MeV silver ions at four varying fluences was implemented on epitaxial graphene to investigate morphological and structural changes and their effects on the gas sensing capabilities of graphene. Sensing devices are expected as one of the first electronic applications using graphene and most of them use functionalized surfaces to tailor a certain function. In our case, we have studied irradiation as a tool to achieve functionalization. Morphological and structural changes on epitaxial graphene layers were investigated by atomic force microscopy, Raman spectroscopy, Raman mapping and reflectance mapping. The surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles at highest fluence (2 × 10{sup 13} ions/cm{sup 2}). Raman spectra analysis shows that the graphene defect density is increased with increasing fluence, while Raman mapping and reflectance mapping show that there is also a reduction of monolayer graphene coverage. The samples were investigated for ammonia and nitrogen dioxide gas sensing applications. Sensors fabricated on pristine and irradiated samples showed highest gas sensing response at an optimal fluence. Our work provides new pathways for introducing defects in controlled manner in epitaxial graphene, which can be used not only for gas sensing application but also for other applications, such as electrochemical, biosensing, magnetosensing and

Surface functionalization of epitaxial graphene on SiC by ion irradiation for gas sensing application

International Nuclear Information System (INIS)

Kaushik, Priya Darshni; Ivanov, Ivan G.; Lin, Pin-Cheng; Kaur, Gurpreet; Eriksson, Jens; Lakshmi, G.B.V.S.; Avasthi, D.K.; Gupta, Vinay; Aziz, Anver; Siddiqui, Azher M.; Syväjärvi, Mikael; Yazdi, G. Reza

2017-01-01

Highlights: • For the first time the gas sensing application of SHI irradiated epitaxial graphene on SiC is explored. • Surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles. • Existence of an optimal fluence which maximize the gas sensing response towards NO_2 and NH_3 gases. - Abstract: In this work, surface functionalization of epitaxial graphene grown on silicon carbide was performed by ion irradiation to investigate their gas sensing capabilities. Swift heavy ion irradiation using 100 MeV silver ions at four varying fluences was implemented on epitaxial graphene to investigate morphological and structural changes and their effects on the gas sensing capabilities of graphene. Sensing devices are expected as one of the first electronic applications using graphene and most of them use functionalized surfaces to tailor a certain function. In our case, we have studied irradiation as a tool to achieve functionalization. Morphological and structural changes on epitaxial graphene layers were investigated by atomic force microscopy, Raman spectroscopy, Raman mapping and reflectance mapping. The surface morphology of irradiated graphene layers showed graphene folding, hillocks, and formation of wrinkles at highest fluence (2 × 10"1"3 ions/cm"2). Raman spectra analysis shows that the graphene defect density is increased with increasing fluence, while Raman mapping and reflectance mapping show that there is also a reduction of monolayer graphene coverage. The samples were investigated for ammonia and nitrogen dioxide gas sensing applications. Sensors fabricated on pristine and irradiated samples showed highest gas sensing response at an optimal fluence. Our work provides new pathways for introducing defects in controlled manner in epitaxial graphene, which can be used not only for gas sensing application but also for other applications, such as electrochemical, biosensing, magnetosensing and spintronic

Phase formation in Zr/Fe multilayers during Kr ion irradiation

International Nuclear Information System (INIS)

Motta, A. T.

1998-01-01

A detailed study has been conducted of the effect of Kr ion irradiation on phase formation in Zr-Fe metallic multilayers, using the Intermediate Voltage Electron Microscopy (IVEM) at Argonne National Laboratory. Metallic multilayers were prepared with different overall compositions (near 50-50 and Fe-rich), and with different wavelengths (repetition thicknesses). These samples were irradiated with 300 keV Kr ions at various temperatures to investigate the final products, as well as the kinetics of phase formation. For the shorter wavelength samples, the final product was in all cases an amorphous Zr-Fe phase, in combination with Fe, while specially for the larger wavelength samples, in the Fe-rich samples the intermetallic compounds ZrFe 2 and Zr 3 Fe were formed in addition to the amorphous phase. The dose to full reaction decreases with temperature, and with wavelength in a manner consistent with a diffusion-controlled reaction

Gas-phase structure and fragmentation pathways of singly protonated peptides with N-terminal arginine.

Science.gov (United States)

Bythell, Benjamin J; Csonka, István P; Suhai, Sándor; Barofsky, Douglas F; Paizs, Béla

2010-11-25

The gas-phase structures and fragmentation pathways of the singly protonated peptide arginylglycylaspartic acid (RGD) are investigated by means of collision-induced-dissociation (CID) and detailed molecular mechanics and density functional theory (DFT) calculations. It is demonstrated that despite the ionizing proton being strongly sequestered at the guanidine group, protonated RGD can easily be fragmented on charge directed fragmentation pathways. This is due to facile mobilization of the C-terminal or aspartic acid COOH protons thereby generating salt-bridge (SB) stabilized structures. These SB intermediates can directly fragment to generate b(2) ions or facilely rearrange to form anhydrides from which both b(2) and b(2)+H(2)O fragments can be formed. The salt-bridge stabilized and anhydride transition structures (TSs) necessary to form b(2) and b(2)+H(2)O are much lower in energy than their traditional charge solvated counterparts. These mechanisms provide compelling evidence of the role of SB and anhydride structures in protonated peptide fragmentation which complements and supports our recent findings for tryptic systems (Bythell, B. J.; Suhai, S.; Somogyi, A.; Paizs, B. J. Am. Chem. Soc. 2009, 131, 14057-14065.). In addition to these findings we also report on the mechanisms for the formation of the b(1) ion, neutral loss (H(2)O, NH(3), guanidine) fragment ions, and the d(3) ion.

Graphene-enhanced hybrid phase change materials for thermal management of Li-ion batteries

Science.gov (United States)

Goli, Pradyumna; Legedza, Stanislav; Dhar, Aditya; Salgado, Ruben; Renteria, Jacqueline; Balandin, Alexander A.

2014-02-01

Li-ion batteries are crucial components for progress in mobile communications and transport technologies. However, Li-ion batteries suffer from strong self-heating, which limits their life-time and creates reliability and environmental problems. Here we show that thermal management and the reliability of Li-ion batteries can be drastically improved using hybrid phase change material with graphene fillers. Conventional thermal management of batteries relies on the latent heat stored in the phase change material as its phase changes over a small temperature range, thereby reducing the temperature rise inside the battery. Incorporation of graphene to the hydrocarbon-based phase change material allows one to increase its thermal conductivity by more than two orders of magnitude while preserving its latent heat storage ability. A combination of the sensible and latent heat storage together with the improved heat conduction outside of the battery pack leads to a significant decrease in the temperature rise inside a typical Li-ion battery pack. The described combined heat storage-heat conduction approach can lead to a transformative change in thermal management of Li-ion and other types of batteries.

The Influence of Several Doped Ions on Gas Sensitivity of Hematite

Institute of Scientific and Technical Information of China (English)

无

1999-01-01

The dehydrating activation energies of the hematite with several doped ions used for the alcohol sensor were determinated by thermogravimetric differential thermal analyzer (TG-DTA) and the grain size of the samples were observed with TEM. The hematites with different doping amounts of Sn4 + were investigated by Mossbauer spectrometer. It shows that the different doped ion is of influence for grain growth of the hematite. The decrease of grain size stemmed from the doped ion causes gas sensitivity for alcohol to increase and the dehydrating activation energy to decrease correspondingly. When the different amounts of Sn4 + is doped in hematite, the microstructure of the hematite can be influenced.

Long-lived gas-phase radicals from combustion

Energy Technology Data Exchange (ETDEWEB)

Kaneko, Takashi; Furusawa, Koji; Amano, Toshiji; Okubo, Yoichi; Tsuchiya, Jun' ichi; Yoshizawa, Fujiroku; Akutsu, Yoshiaki; Tamura, Masamitsu; Yoshida, Tadao (Univ. of Tokyo (Japan))

1989-04-20

On indoor air pollution or fire, it is feared that the gas-phase radicals from the combustion of inflammables or fuel seriously exert an influence on the organisms as harmful matter. The gas-phase radicals were studied using the electron spin resonance (ESR) spin-trapping technique. For the spin trap solution, 0.1 mol solution of {alpha}-phenyl-N-t-butylnitron in benzene was used. As a result, apparently long-lived and highly reactive oxygen-centered radicals were detected in the smoke from polyethylene, polypropylene, polystyrene, polymethylmethacrylate, cellulose, kerosene, benzene, acetone, methanol and butylalcohol. It is suggested that the production mechanism for the radicals should be different from olefin-NOx-air system reaction, which is considered for the radicals from cigarette smoke. 11 refs., 6 figs., 2 tabs.

Experimental and numerical investigation of shock wave propagation through complex geometry, gas continuous, two-phase media

International Nuclear Information System (INIS)

Liu, J. Chien-Chih

1993-01-01

The work presented here investigates the phenomenon of shock wave propagation in gas continuous, two-phase media. The motivation for this work stems from the need to understand blast venting consequences in the HYLIFE inertial confinement fusion (ICF) reactor. The HYLIFE concept utilizes lasers or heavy ion beams to rapidly heat and compress D-T targets injected into the center of a reactor chamber. A segmented blanket of failing molten lithium or Li 2 BeF 4 (Flibe) jets encircles the reactors central cavity, shielding the reactor structure from radiation damage, absorbing the fusion energy, and breeding more tritium fuel

Metal-ion catalyzed polymerization in the eutectic phase in water-ice

DEFF Research Database (Denmark)

Monnard, Pierre-Alain; Szostak, Jack W.

2008-01-01

The emergence of an RNA world requires among other processes the non-enzymatic, template-directed replication of genetic polymers such as RNA or related nucleic acids, possibly catalyzed by metal ions. The absence of uridilate derivative polymerization on adenine containing templates has been...... the main issue preventing an efficient template-directed RNA polymerization. We report here the investigation of template-directed RNA polymerization in the eutectic phase in water-ice. In particular, it was found that activated Uridilate monomers in the presence of metal-ion catalysts could efficiently......-pairing opportunities. These results suggest that a template-directed RNA polymerization catalyzed by metal-ions could be carried out under eutectic phase in water-ice conditions....

Swift heavy ion induced modification in polycarbonate membrane for gas separation

International Nuclear Information System (INIS)

Rajesh Kumar; Prasad, Rajendra; Vijay, Y.K.; Das, D.

2003-01-01

Polymeric membranes are extensively used for commercial gas separation applications. Makrofol-KG (polycarbonate) is a glassy polymer. 40 μm thick sheet of Makrofol-KG was irradiated with 40 Ar (14.9 MeV/n) of fluence 10 3 ions/cm 2 and 20 μm thick sheet with 5.3 MeV α-particles of fluence 10 7 ions/cm 2 . The permeability of these polycarbonate membranes for H 2 and CO 2 was measured and also after etching in 6 N NaOH at 60 degC for different periods. Permeability is found to be increased with etching time. At a definite time, critical etching time, the permeability rapidly increases in PC. Positron annihilation lifetimes for unirradiated and irradiated membranes were measured with fast fast coincidence system to study the correlation of free volume hole concentration with gas separation properties. (author)

Phase transition in the hadron gas model

International Nuclear Information System (INIS)

Gorenstein, M.I.; Petrov, V.K.; Zinov'ev, G.M.

1981-01-01

A class of statistical models of hadron gas allowing an analytical solution is considered. A mechanism of a possible phase transition in such a system is found and conditions for its occurence are determined [ru

Trapping radioactive ions

CERN Document Server

Kluge, Heinz-Jürgen

2004-01-01

Trapping devices for atomic and nuclear physics experiments with radioactive ions are becoming more and more important at accelerator facilities. While about ten years ago only one online Penning trap experiment existed, namely ISOLTRAP at ISOLDE/CERN, meanwhile almost every radioactive beam facility has installed or plans an ion trap setup. This article gives an overview on ion traps in the operation, construction or planing phase which will be used for fundamental studies with short-lived radioactive nuclides such as mass spectrometry, laser spectroscopy and nuclear decay spectroscopy. In addition, this article summarizes the use of gas cells and radiofrequency quadrupole (Paul) traps at different facilities as a versatile tool for ion beam manipulation like retardation, cooling, bunching, and cleaning.

Trapping radioactive ions

International Nuclear Information System (INIS)

Kluge, H.-J.; Blaum, K.

2004-01-01

Trapping devices for atomic and nuclear physics experiments with radioactive ions are becoming more and more important at accelerator facilities. While about ten years ago only one online Penning trap experiment existed, namely ISOLTRAP at ISOLDE/CERN, meanwhile almost every radioactive beam facility has installed or plans an ion trap setup. This article gives an overview on ion traps in the operation, construction or planing phase which will be used for fundamental studies with short-lived radioactive nuclides such as mass spectrometry, laser spectroscopy and nuclear decay spectroscopy. In addition, this article summarizes the use of gas cells and radiofrequency quadrupole (Paul) traps at different facilities as a versatile tool for ion beam manipulation like retardation, cooling, bunching, and cleaning

Severe slugging in gas-liquid two-phase pipe flow

NARCIS (Netherlands)

Malekzadeh, R.

2012-01-01

transportation facilities. In an offshore oil and gas production facility, pipeline-riser systems are required to transport two-phase hydrocarbons from subsurface oil and gas wells to a central production platform. Severe slugs reaching several thousands pipe diameters may occur when transporting

Gas Phase Sulfur, Chlorine and Potassium Chemistry in Biomass Combustion

DEFF Research Database (Denmark)

Løj, Lusi Hindiyarti

2007-01-01

Gas Phase Sulfur, Chlorine and Alkali Metal Chemistry in Biomass Combustion Concern about aerosols formation, deposits, corrosion, and gaseous emissions during biomass combustion, especially straw, continues to be a driving force for investigation on S, Cl, K-containing species under combustions...... conditions. These trace species contained in the biomass structure will be released to the gas phase during combustion and contribute to the problems generated during the process. The investigation during this PhD project is done to stepwise improve the understanding in the chemistry and reduce...... the uncertainties. In the present work, the detailed kinetic model for gas phase sulfur, chlorine, alkali metal, and their interaction has been updated. The K/O/H/Cl chemistry, S chemistry, and their interaction can reasonably predict a range of experimental data. In general, understanding of the interaction...

Holifield Heavy Ion Research Facility. Phase II

International Nuclear Information System (INIS)

Ball, J.B.; Hudson, E.D.; Lord, R.S.; Johnson, J.W.; Martin, J.A.; McNeilly, G.S.; Milner, W.T.; Mosko, S.W.; Sayer, R.O.; Robinson, R.L.

1979-01-01

The Holifield Heavy Ion Research Facility, with the completion of Phase I in late 1979, will include the Oak Ridge Isochronous Cyclotron (ORIC) and associated research areas, the new 25 MV tandem accelerator with new research areas for tandem beams, and modifications to utilize the ORIC as a booster accelerator. The combination of the tandem and ORIC will provide beam energies of 25 MeV/A for light heavy ions and 6 MeV/A up to A = 160. This paper discusses plans for a Phase II expansion of the facility to include an isochronous cyclotron with superconducting magnet and reconfiguration of the existing research areas and the ORIC vault to handle the higher energy beams from the new cyclotron. The new booster cyclotron is a low-flutter high-spiral design patterned after the MSU K = 800 design, with a central magnetic field of about 5 tesla and an extraction radius of 1 meter. The new beam transport system will incorporate an rf beam-splitter system that will be able to deliver successive beam pulses to two or three experiment areas

Chemically Induced Phase Transformation in Austenite by Focused Ion Beam

Science.gov (United States)

Basa, Adina; Thaulow, Christian; Barnoush, Afrooz

2014-03-01

A highly stable austenite phase in a super duplex stainless steel was subjected to a combination of different gallium ion doses at different acceleration voltages. It was shown that contrary to what is expected, an austenite to ferrite phase transformation occurred within the focused ion beam (FIB) milled regions. Chemical analysis of the FIB milled region proved that the gallium implantation preceded the FIB milling. High resolution electron backscatter diffraction analysis also showed that the phase transformation was not followed by the typical shear and plastic deformation expected from the martensitic transformation. On the basis of these observations, it was concluded that the change in the chemical composition of the austenite and the local increase in gallium, which is a ferrite stabilizer, results in the local selective transformation of austenite to ferrite.

Probing the Binding Interfaces of Protein Complexes Using Gas-Phase H/D Exchange Mass Spectrometry

DEFF Research Database (Denmark)

Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F

2016-01-01

Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub-milliseco......Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub......-millisecond time span after electrospray ionization by ND3 gas can provide structural insights into protein conformers present in solution. Here, we have explored the use of gas-phase HDX-MS for probing the higher-order structure and binding interfaces of protein complexes originating from native solution...

Continuous fixed-bed gas-phase hydroformylation using supported ionic liquid-phase (SILP) Rh catalysts

DEFF Research Database (Denmark)

Riisager, Anders; Wasserscheid, Peter; Van Hal, R.

2003-01-01

Continuous flow gas-phase hydroformylation of propene was performed using novel supported ionic liquid-phase (SILP) catalysts containing immobilized Rh complexes of the biphosphine ligand sulfoxantphos in the ionic liquids 1-n-butyl-3-methylimidazolium hexafluorophosphate and halogen-free 1-n-butyl...

Phase-mixing of Langmuir oscillations in cold electron-positron-ion plasmas

Energy Technology Data Exchange (ETDEWEB)

Maity, Chandan [Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India)

2014-07-15

Space-time evolution of Langmuir oscillations in a cold homogeneous electron-positron-ion plasma has been analyzed by employing a straightforward perturbation expansion method, showing phase-mixing and, thus, wave-breaking of excited oscillations at arbitrary amplitudes. Within an assumption of infinitely massive ions, an approximate phase-mixing time is found to scale as ω{sub pe}t{sub mix}∼[(6/δ{sup 2})((2−α){sup 5/2}/(1−α))]{sup 1/3}, where “δ” and “α” (= n{sub 0i}/n{sub 0e}) are the amplitude of perturbation and the ratio of equilibrium ion density to equilibrium electron density, respectively, and ω{sub pe}∼√(4πn{sub 0e}e{sup 2}/m) is the electron plasma frequency. The results presented on phase-mixing of Langmuir modes in multispecies plasmas are expected to be relevant to laboratory and astrophysical environments.

Investigation into process of solid-phase synthesis of calcium vanadates

International Nuclear Information System (INIS)

Fotiev, A.A.; Krasnenko, T.I.; Slobodin, B.V.

1983-01-01

Processes of solid-phase synthesis of calcium vanadates by Toubandt method, measuring electric conductivity and Ca 45 and V 48 radioactive indicators are investigated. It is shown that reaction diffusion during calcium vanadates production from oxides is ensured by calcium and oxygen ions or calcium ions and electrons through the product layer, as to oxygen - through the gas phase

The origin of the selectivity and activity of ruthenium-cluster catalysts for fuel-cell feed-gas purification: a gas-phase approach.

Science.gov (United States)

Lang, Sandra M; Bernhardt, Thorsten M; Krstić, Marjan; Bonačić-Koutecký, Vlasta

2014-05-19

Gas-phase ruthenium clusters Ru(n)(+) (n=2-6) are employed as model systems to discover the origin of the outstanding performance of supported sub-nanometer ruthenium particles in the catalytic CO methanation reaction with relevance to the hydrogen feed-gas purification for advanced fuel-cell applications. Using ion-trap mass spectrometry in conjunction with first-principles density functional theory calculations three fundamental properties of these clusters are identified which determine the selectivity and catalytic activity: high reactivity toward CO in contrast to inertness in the reaction with CO2; promotion of cooperatively enhanced H2 coadsorption and dissociation on pre-formed ruthenium carbonyl clusters, that is, no CO poisoning occurs; and the presence of Ru-atom sites with a low number of metal-metal bonds, which are particularly active for H2 coadsorption and activation. Furthermore, comprehensive theoretical investigations provide mechanistic insight into the CO methanation reaction and discover a reaction route involving the formation of a formyl-type intermediate. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phase locked multiple rings in the radiation pressure ion acceleration process

Science.gov (United States)

Wan, Y.; Hua, J. F.; Pai, C.-H.; Li, F.; Wu, Y. P.; Lu, W.; Zhang, C. J.; Xu, X. L.; Joshi, C.; Mori, W. B.

2018-04-01

Laser contrast plays a crucial role for obtaining high quality ion beams in the radiation pressure ion acceleration (RPA) process. Through one- and two-dimensional particle-in-cell (PIC) simulations, we show that a plasma with a bi-peak density profile can be produced from a thin foil on the effects of a picosecond prepulse, and it can then lead to distinctive modulations in the ion phase space (phase locked double rings) when the main pulse interacts with the target. These fascinating ion dynamics are mainly due to the trapping effect from the ponderomotive potential well of a formed moving standing wave (i.e. the interference between the incoming pulse and the pulse reflected by a slowly moving surface) at nodes, quite different from the standard RPA process. A theoretical model is derived to explain the underlying mechanism, and good agreements have been achieved with PIC simulations.

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)

Theory and simulation of ion noise in microwave tubes

Science.gov (United States)

Manheimer, W. M.; Freund, H. P.; Levush, B.; Antonsen, T. M.

2001-01-01

Since there is always some ambient gas in electron beam devices, background ionization is ubiquitous. For long pulse times, the electrostatic potentials associated with this ionization can reach significant levels and give rise to such observed phenomena as phase noise in microwave tubes. This noise is usually associated with the motion of ions in the device; therefore, it is called ion noise. It often manifests itself as a slow phase fluctuation on the output signal. Observations of noise in microwave tubes such as coupled-cavity traveling wave tubes (CC-TWTs) and klystrons have been discussed in the literature. In this paper, a hybrid model is discussed in which the electron beam is described by the beam envelope equation, and the ions generated by beam ionization are treated as discrete particles using the one-dimensional equations of motion. The theoretical model provides good qualitative as well as reasonable quantitative insight into the origin of ion noise phenomena. The numerical results indicate that the model reproduces the salient features of the phase oscillations observed experimentally. That is, the scaling of the frequency of the phase oscillations with gas pressure in the device and the sensitive dependence of the phase oscillations on the focusing magnetic field. Two distinct time scales are observed in simulation. The fastest time scale oscillation is related to the bounce motion of ions in the axial potential wells formed by the scalloping of the electron beam. Slower sawtooth oscillations are observed to correlate with the well-to-well interactions induced by the ion coupling to the electron equilibrium. These oscillations are also correlated with ion dumping to the cathode or collector. As a practical matter, simulations indicate that the low frequency oscillations can be reduced significantly by using a well-matched electron beam propagating from the electron gun into the interaction circuit.

Theory and simulation of ion noise in microwave tubes

International Nuclear Information System (INIS)

Manheimer, W.M.; Freund, H.P.; Levush, B.; Antonsen, T.M. Jr.

2001-01-01

Since there is always some ambient gas in electron beam devices, background ionization is ubiquitous. For long pulse times, the electrostatic potentials associated with this ionization can reach significant levels and give rise to such observed phenomena as phase noise in microwave tubes. This noise is usually associated with the motion of ions in the device; therefore, it is called ion noise. It often manifests itself as a slow phase fluctuation on the output signal. Observations of noise in microwave tubes such as coupled-cavity traveling wave tubes (CC-TWTs) and klystrons have been discussed in the literature. In this paper, a hybrid model is discussed in which the electron beam is described by the beam envelope equation, and the ions generated by beam ionization are treated as discrete particles using the one-dimensional equations of motion. The theoretical model provides good qualitative as well as reasonable quantitative insight into the origin of ion noise phenomena. The numerical results indicate that the model reproduces the salient features of the phase oscillations observed experimentally. That is, the scaling of the frequency of the phase oscillations with gas pressure in the device and the sensitive dependence of the phase oscillations on the focusing magnetic field. Two distinct time scales are observed in simulation. The fastest time scale oscillation is related to the bounce motion of ions in the axial potential wells formed by the scalloping of the electron beam. Slower sawtooth oscillations are observed to correlate with the well-to-well interactions induced by the ion coupling to the electron equilibrium. These oscillations are also correlated with ion dumping to the cathode or collector. As a practical matter, simulations indicate that the low frequency oscillations can be reduced significantly by using a well-matched electron beam propagating from the electron gun into the interaction circuit

Sorption-spectroscopic and test methods for the determination of metal ions on the solid-phase of ion-exchange materials

International Nuclear Information System (INIS)

Savvin, Sergey B; Dedkova, Valentina P; Shvoeva, Ol'ga P

2000-01-01

Data on sorption-spectroscopic and test methods for the determination of metal ions on the solid-phase of ion-exchange materials published over the past decade are reviewed. The advantages and disadvantages of ion-exchange materials are discussed. The detection limits and selectivity of these techniques are described. The bibliography includes 151 references.

Ion chemistry of some organic molecules studied by field ionization and field desorption mass spectrometry

International Nuclear Information System (INIS)

Greef, J. van der.

1980-01-01

The chemistry of isolated ions in the gas phase is strongly dependent on the internal energy which they have required upon formation. Since also the average lifetime of an ion depends on its internal energy, ion lifetime studies have been employed for many years to obtain a better insight in the relation between the chemistry and internal energy of gas phase ions. A very powerful tool for such studies is the field ionization kinetic (FIK) method, because it can provide a time-resolved picture of decompositions of ions with lifetimes varying from 10 -11 to 10 -5 s. The FIK method has been used in combination with 2 H, 13 C and 15 N labelling for mechanistic studies on the fragmentation of some selected ionised organic molecules. (Auth.)

Multiwalled carbon nanotubes as a solid-phase extraction adsorbent for the determination of three barbiturates in pork by ion trap gas chromatography-tandem mass spectrometry (GC/MS/MS) following microwave assisted derivatization

Energy Technology Data Exchange (ETDEWEB)

Zhao Haixiang [College of Science, China Agricultural University, Beijing 100094 (China); Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China); Department of Basic Agricultural Science, Hebei North College, Zhangjiakou Hebei 075131 (China); Wang Liping [College of Science, China Agricultural University, Beijing 100094 (China); Qiu Yueming [Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China); Zhou Zhiqiang [College of Science, China Agricultural University, Beijing 100094 (China)]. E-mail: zqzhou@cau.edu.cn; Zhong Weike [Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China); Li Xiang [Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China)

2007-03-14

A new method was developed for the rapid screening and confirmation analysis of barbital, amobarbital and phenobarbital residues in pork by gas chromatography-tandem mass spectrometry (GC/MS/MS) with ion trap MSD. The residual barbiturates in pork were extracted by ultrasonic extraction, cleaned up on a multiwalled carbon nanotubes (MWCNTs) packed solid phase extraction (SPE) cartridge and applied acetone-ethyl acetate (3:7, v/v) mixture as eluting solvent and derivatized with CH{sub 3}I under microwave irradiation. The methylated barbiturates were separated on a TR-5MS capillary column and detected with an ion trap mass detector. Electron impact ion source (EI) operating MS/MS mode was adopted for identification and external standard method was employed for quantification. One precursor ion m/z 169 was selected for analysis of barbital and amobarbital and m/z 232 was selected for phenobarbital. The product ions were obtained under 1.0 V excitation voltage. Good linearities (linear coefficient R > 0.99) were obtained at the range of 0.5-50 {mu}g kg{sup -1}. Limit of detection (LOD) of barbital was 0.2 {mu}g kg{sup -1} and that of amobarbital and phenobarbital were both 0.1 {mu}g kg{sup -1} (S/N {>=} 3). Limit of quatification (LOQ) was 0.5 {mu}g kg{sup -1} for three barbiturates (S/N {>=} 10). Satisfying recoveries ranging from 75% to 96% of the three barbiturates spiked in pork were obtained, with relative standard deviations (R.S.D.) in the range of 2.1-7.8%.

Multiwalled carbon nanotubes as a solid-phase extraction adsorbent for the determination of three barbiturates in pork by ion trap gas chromatography-tandem mass spectrometry (GC/MS/MS) following microwave assisted derivatization

International Nuclear Information System (INIS)

Zhao Haixiang; Wang Liping; Qiu Yueming; Zhou Zhiqiang; Zhong Weike; Li Xiang

2007-01-01

A new method was developed for the rapid screening and confirmation analysis of barbital, amobarbital and phenobarbital residues in pork by gas chromatography-tandem mass spectrometry (GC/MS/MS) with ion trap MSD. The residual barbiturates in pork were extracted by ultrasonic extraction, cleaned up on a multiwalled carbon nanotubes (MWCNTs) packed solid phase extraction (SPE) cartridge and applied acetone-ethyl acetate (3:7, v/v) mixture as eluting solvent and derivatized with CH 3 I under microwave irradiation. The methylated barbiturates were separated on a TR-5MS capillary column and detected with an ion trap mass detector. Electron impact ion source (EI) operating MS/MS mode was adopted for identification and external standard method was employed for quantification. One precursor ion m/z 169 was selected for analysis of barbital and amobarbital and m/z 232 was selected for phenobarbital. The product ions were obtained under 1.0 V excitation voltage. Good linearities (linear coefficient R > 0.99) were obtained at the range of 0.5-50 μg kg -1 . Limit of detection (LOD) of barbital was 0.2 μg kg -1 and that of amobarbital and phenobarbital were both 0.1 μg kg -1 (S/N ≥ 3). Limit of quatification (LOQ) was 0.5 μg kg -1 for three barbiturates (S/N ≥ 10). Satisfying recoveries ranging from 75% to 96% of the three barbiturates spiked in pork were obtained, with relative standard deviations (R.S.D.) in the range of 2.1-7.8%

Etching radical controlled gas chopped deep reactive ion etching

Science.gov (United States)

Olynick, Deidre; Rangelow, Ivo; Chao, Weilun

2013-10-01

A method for silicon micromachining techniques based on high aspect ratio reactive ion etching with gas chopping has been developed capable of producing essentially scallop-free, smooth, sidewall surfaces. The method uses precisely controlled, alternated (or chopped) gas flow of the etching and deposition gas precursors to produce a controllable sidewall passivation capable of high anisotropy. The dynamic control of sidewall passivation is achieved by carefully controlling fluorine radical presence with moderator gasses, such as CH.sub.4 and controlling the passivation rate and stoichiometry using a CF.sub.2 source. In this manner, sidewall polymer deposition thicknesses are very well controlled, reducing sidewall ripples to very small levels. By combining inductively coupled plasmas with controlled fluorocarbon chemistry, good control of vertical structures with very low sidewall roughness may be produced. Results show silicon features with an aspect ratio of 20:1 for 10 nm features with applicability to nano-applications in the sub-50 nm regime. By comparison, previous traditional gas chopping techniques have produced rippled or scalloped sidewalls in a range of 50 to 100 nm roughness.

Effect of gas filling pressure and operation energy on ion and neutron emission in a medium energy plasma focus device

Science.gov (United States)

Niranjan, Ram; Rout, R. K.; Srivastava, Rohit; Kaushik, T. C.

2018-03-01

The effects of gas filling pressure and operation energy on deuterium ions and neutrons have been studied in a medium energy plasma focus device, MEPF-12. The deuterium gas filling pressure was varied from 1 to 10 mbar at an operation energy of 9.7 kJ. Also, the operation energy was varied from 3.9 to 9.7 kJ at a deuterium gas filling pressure of 4 mbar. Time resolved emission of deuterium ions was measured using a Faraday cup. Simultaneously, time integrated and time resolved emissions of neutrons were measured using a silver activation detector and plastic scintillator detector, respectively. Various characteristics (fluence, peak density, and most probable energy) of deuterium ions were estimated using the Faraday cup signal. The fluence was found to be nearly independent of the gas filling pressure and operation energy, but the peak density and most probable energy of deuterium ions were found to be varying. The neutron yield was observed to be varying with the gas filling pressure and operation energy. The effect of ions on neutrons emission was observed at each operation condition.

Optimizing C4+ and C5+ beams of the Kei2 electron cyclotron resonance ion source using a special gas-mixing technique

International Nuclear Information System (INIS)

Drentje, A.G.; Muramatsu, M.; Kitagawa, A.

2006-01-01

With the prototype electron cyclotron resonance ion source for the next carbon therapy facility in Japan a series of measurements has been performed in order (a) to find the best condition for producing high beam currents of C 4+ ions, and (b) to study the effect of 'special' gas mixing by using a chemical compound as a feed gas. The effect would then appear as an increase in high charge state production in this case of C 5+ ions. In 'regular' gas-mixing experiments it is well known that an isotopic phenomenon occurs: a heavier isotope of the mixing gas is increasing the production of high charge states of the beam gas ions. A similar isotopic effect has been found in the present experiment: with deuterated methane (CD 4 gas) the C 5+ beam currents are about 10% higher than with regular methane (CH 4 gas). The 'mixing-gas' ratio D (or H) to C can be decreased by choosing, e.g., butane gas; in this case the isotopic effect for C 5+ production is even stronger (>15%). For production of C 4+ ions the isotopic effect appears to be absent. Clearly this is related to the much easier production. It turns out that the relative amount of carbon is much more important: butane gives about 10% higher C 4+ -ion currents than methane

The nature of the positive ion contribution to a gas discharge

International Nuclear Information System (INIS)

Fletcher, J.; Blevin, H.A.

1980-06-01

The technique for studying swarms of electrons in a gas discharge by observing the photon flux from the discharge developed in the authors's laboratories has been adapted to investigate the role of the secondary mechanisms in hydrogen and nitrogen. The results show that, contrary to previous indications, ion bombardment of the cathode plays only a negligible, if any, part in the low pressure discharge in hydrogen and nitrogen at low E/N while at high E/N only the contribution of the atomic ion is significant

Toward a Rational Design of Highly Folded Peptide Cation Conformations. 3D Gas-Phase Ion Structures and Ion Mobility Characterization

Czech Academy of Sciences Publication Activity Database

Pepin, R.; Laszlo, K. J.; Marek, Aleš; Peng, B.; Bush, M. F.; Lavanant, H.; Afonso, C.; Tureček, F.

2016-01-01

Roč. 27, č. 10 (2016), s. 1647-1660 ISSN 1044-0305 Institutional support: RVO:61388963 Keywords : peptide ions * ion mobility * collisional cross sections * density functional theory calculations * ion structures * polar effects Subject RIV: CC - Organic Chemistry Impact factor: 2.786, year: 2016

Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Zanni, Martin Thomas [Univ. of California, Berkeley, CA (United States)

1999-12-01

This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents.

Photodissociation and charge transfer dynamics of negative ions studied with femtosecond photoelectron spectroscopy

International Nuclear Information System (INIS)

Zanni, Martin T.

1999-01-01

This dissertation presents studies aimed at understanding the potential energy surfaces and dynamics of isolated negative ions, and the effects of solvent on each. Although negative ions play important roles in atmospheric and solution phase chemistry, to a large extent the ground and excited state potential energy surfaces of gas phase negative ions are poorly characterized, and solvent effects even less well understood. In an effort to fill this gap, the author's coworkers and the author have developed a new technique, anion femtosecond photoelectron spectroscopy, and applied it to gas phase photodissociation and charge transfer processes. Studies are presented that (1) characterize the ground and excited states of isolated and clustered anions, (2) monitor the photodissociation dynamics of isolated and clustered anions, and (3) explore the charge-transfer-to-solvent states of atomic iodide clustered with polar and non-polar solvents

Two-phase gas bubble-liquid boundary layer flow along vertical and inclined surfaces

International Nuclear Information System (INIS)

Cheung, F.B.; Epstein, M.

1985-01-01

The behavior of a two-phase gas bubble liquid boundary layer along vertical and inclined porous surfaces with uniform gas injection is investigated experimentally and analytically. Using argon gas and water as the working fluids, a photographical study of the two-phase boundary layer flow has been performed for various angles of inclination ranging from 45 0 to 135 0 and gas injection rates ranging from 0.01 to 0.1 m/s. An integral method has been employed to solve the system of equations governing the two-phase motion. The effects of the gas injection rate and the angle of inclination on the growth of the boundary layer have been determined

Measurement of phase interaction in dispersed gas-particle two-phase flow by phase-doppler anemometry

Directory of Open Access Journals (Sweden)

Mergheni Ali Mohamed

2008-01-01

Full Text Available For simultaneous measurement of size and velocity distributions of continuous and dispersed phases in a two-phase flow a technique phase-Doppler anemometry was used. Spherical glass particles with a particle diameter range from 102 up to 212 µm were used. In this two-phase flow an experimental results are presented which indicate a significant influence of the solid particles on the flow characteristics. The height of influence of these effects depends on the local position in the jet. Near the nozzle exit high gas velocity gradients exist and therefore high turbulence production in the shear layer of the jet is observed. Here the turbulence intensity in the two-phase jet is decreased compared to the single-phase jet. In the developed zone the velocity gradient in the shear layer is lower and the turbulence intensity reduction is higher. .

Cross sections and transport properties for Na+ in (DXE gas

Directory of Open Access Journals (Sweden)

Nikitović Željka D.

2016-01-01

Full Text Available In this work we select most probable reactions of alkali metal ion Na+ with dimethoxyethane (DXE molecule. Appropriate gas phase enthalpies of formation for the products were used to calculate scattering cross section as a function of kinetic energy with Denpoh-Nanbu theory. Calculated cross sections were compared with existing experimental results obtained by guided ion beam tandem mass spectrometry. Three body association reactions of ions with DXE is studied and compared to experimental results. Calculated cross sections were used to obtain transport parameters for alkali metal ion in DXE gas. [Projekat Ministarstva nauke Republike Srbije, br. ON 171037 i br. III 410011

Continuous gas-phase hydroformylation of 1-butene using supported ionic liquid phase (SILP) catalysts

DEFF Research Database (Denmark)

Haumann, Marco; Dentler, Katharina; Joni, Joni

2007-01-01

The concept of supported ionic liquid phase (SILP) catalysis has been extended to 1-butene hydroformylation. A rhodium-sulfoxantphos complex was dissolved in [BMIM][n-C8H17OSO3] and this solution was highly dispersed on silica. Continuous gas-phase experiments in a fixed-bed reactor revealed...

In situ analysis of thin film deposition processes using time-of-flight (TOF) ion beam analysis methods

International Nuclear Information System (INIS)

Im, J.; Lin, Y.; Schultz, J.A.; Auciello, O.H.; Chang, R.P.H.

1995-05-01

Non-destructive, in situ methods for characterization of thin film growth phenomena is key to understand thin film growth processes and to develop more reliable deposition procedures, especially for complex layered structures involving multi-phase materials. However, surface characterization methods that use either electrons (e.g. AES or XPS) or low energy ions (SIMS) require an UHV environment and utilize instrumentation which obstructs line of sight access to the substrate and are therefore incompatible with line of sight deposition methods and thin film deposition processes which introduce gas, either part of the deposition or in order to produce the desired phase. We have developed a means of differentially pumping both the ion beam source and detectors of a TOF ion beam surface analysis spectrometer that does not interfere with the deposition process and permits compositional and structural analysis of the growing film in the present system, at pressures up to several mTorr. Higher pressures are feasible with modified source-detector geometry. In order to quantify the sensitivity of Ion Scattering Spectroscopy (ISS) and Direct Recoil Spectroscopy (DRS), we have measured the signal intensity for stabilized clean metals in a variety of gas environments as a function of the ambient gas species and pressure, and ion beam species and kinetic energy. Results are interpreted in terms of collision cross sections which are compared with known gas phase scattering data and provide an apriori basis for the evaluation of time-of-flight ion scattering and recoil spectroscopies (ToF-ISARS) for various industrial processing environments which involve both inert and reactive cases. The cross section data for primary ion-gas molecule and recoiled atom-gas molecule interactions are also provided. from which the maximum operating pressure in any experimental configuration can be obtained

Two-phase gas bubble-liquid boundary layer flow along vertical and inclined surfaces

International Nuclear Information System (INIS)

Cheung, F.B.; Epstein, M.

1985-01-01

The behavior of a two-phase gas bubble-liquid boundary layer along vertical and inclined porous surfaces with uniform gas injection is investigated experimentally and analytically. Using argon gas and water as the working fluids, a photographical study of the two-phase boundary layer flow has been performed for various angles of inclination ranging from 45 0 to 135 0 and gas injection rates ranging from 0.01 to 0.1 m/s. An integral method has been employed to solve the system of equations governing the two-phase motion. The effects of the gas injection rate and the angle of inclination on the growth of the boundary layer have been determined. The predicted boundary layer thickness is found to be in good agreement with the experimental results. The calculated axial liquid velocity and the void fraction in the two-phase region are also presented along with the observed flow behavior

On the Chemistry of Hydrides of N Atoms and O+ Ions

Science.gov (United States)

Awad, Zainab; Viti, Serena; Williams, David A.

2016-08-01

Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low-density lines of sight toward G10.6-0.4 (W31C) cannot be accounted for by gas-phase chemical models. In this paper we investigate the role of surface reactions on dust grains in diffuse regions, and we find that formation of the hydrides by surface reactions on dust grains with efficiency comparable to that for H2 formation reconciles models with observations of nitrogen hydrides. However, similar surface reactions do not contribute significantly to the hydrides of O+ ions detected by Herschel/HIFI that are present along many sight lines in the Galaxy. The O+ hydrides can be accounted for by conventional gas-phase chemistry either in diffuse clouds of very low density with normal cosmic-ray fluxes or in somewhat denser diffuse clouds with high cosmic-ray fluxes. Hydride chemistry in dense dark clouds appears to be dominated by gas-phase ion-molecule reactions.

Two-phase xenon detector with gas amplification and electroluminescent signal detection

International Nuclear Information System (INIS)

Akimov, D.Yu.; Burenkov, A.A.; Grishkin, Yu.L.; Kovalenko, A.G.; Lebedenko, V.N.; Stekhanov, V.N.

2008-01-01

An optical technique for detecting ionization electrons produced during ionization of the liquid phase has been experimentally tested in two-phase (liquid-gas) xenon. The effects of gas and electroluminescent amplifications at the wire anode are simultaneously used for detection. This method allows construction of a supersensitive detector of small ionization signals-down to those corresponding to the detection of single electrons [ru

Electric-field control of tri-state phase transformation with a selective dual-ion switch

Science.gov (United States)

Lu, Nianpeng; Zhang, Pengfei; Zhang, Qinghua; Qiao, Ruimin; He, Qing; Li, Hao-Bo; Wang, Yujia; Guo, Jingwen; Zhang, Ding; Duan, Zheng; Li, Zhuolu; Wang, Meng; Yang, Shuzhen; Yan, Mingzhe; Arenholz, Elke; Zhou, Shuyun; Yang, Wanli; Gu, Lin; Nan, Ce-Wen; Wu, Jian; Tokura, Yoshinori; Yu, Pu

2017-06-01

Materials can be transformed from one crystalline phase to another by using an electric field to control ion transfer, in a process that can be harnessed in applications such as batteries, smart windows and fuel cells. Increasing the number of transferrable ion species and of accessible crystalline phases could in principle greatly enrich material functionality. However, studies have so far focused mainly on the evolution and control of single ionic species (for example, oxygen, hydrogen or lithium ions). Here we describe the reversible and non-volatile electric-field control of dual-ion (oxygen and hydrogen) phase transformations, with associated electrochromic and magnetoelectric effects. We show that controlling the insertion and extraction of oxygen and hydrogen ions independently of each other can direct reversible phase transformations among three different material phases: the perovskite SrCoO3-δ (ref. 12), the brownmillerite SrCoO2.5 (ref. 13), and a hitherto-unexplored phase, HSrCoO2.5. By analysing the distinct optical absorption properties of these phases, we demonstrate selective manipulation of spectral transparency in the visible-light and infrared regions, revealing a dual-band electrochromic effect that could see application in smart windows. Moreover, the starkly different magnetic and electric properties of the three phases—HSrCoO2.5 is a weakly ferromagnetic insulator, SrCoO3-δ is a ferromagnetic metal, and SrCoO2.5 is an antiferromagnetic insulator—enable an unusual form of magnetoelectric coupling, allowing electric-field control of three different magnetic ground states. These findings open up opportunities for the electric-field control of multistate phase transformations with rich functionalities.

Homolytic iodination and nitration of some benzene derivatives in the gas phase

International Nuclear Information System (INIS)

Vonk, W.F.M.

1980-01-01

Two gas phase reactions, involving the iodination and nitration of benzene derivatives, are described. The experimental techniques of the apparatus and the methods used are outlined. The kinetic H/D isotope effect in the gas phase nitration of benzene with NO 2 is determined. (C.F.)

Constructing a unique two-phase compressibility factor model for lean gas condensates

Energy Technology Data Exchange (ETDEWEB)

Moayyedi, Mahmood; Gharesheikhlou, Aliashghar [Research Institute of Petroleum Industry (RIPI), Tehran (Iran, Islamic Republic of); Azamifard, Arash; Mosaferi, Emadoddin [Amirkabir University of Technology (AUT), Tehran (Iran, Islamic Republic of)

2015-02-15

Generating a reliable experimental model for two-phase compressibility factor in lean gas condensate reservoirs has always been demanding, but it was neglected due to lack of required experimental data. This study presents the main results of constructing the first two-phase compressibility factor model that is completely valid for Iranian lean gas condensate reservoirs. Based on a wide range of experimental data bank for Iranian lean gas condensate reservoirs, a unique two-phase compressibility factor model was generated using design of experiments (DOE) method and neural network technique (ANN). Using DOE, a swift cubic response surface model was generated for two-phase compressibility factor as a function of some selected fluid parameters for lean gas condensate fluids. The proposed DOE and ANN models were finally validated using four new independent data series. The results showed that there is a good agreement between experimental data and the proposed models. In the end, a detailed comparison was made between the results of proposed models.

Constructing a unique two-phase compressibility factor model for lean gas condensates

International Nuclear Information System (INIS)

Moayyedi, Mahmood; Gharesheikhlou, Aliashghar; Azamifard, Arash; Mosaferi, Emadoddin

2015-01-01

Generating a reliable experimental model for two-phase compressibility factor in lean gas condensate reservoirs has always been demanding, but it was neglected due to lack of required experimental data. This study presents the main results of constructing the first two-phase compressibility factor model that is completely valid for Iranian lean gas condensate reservoirs. Based on a wide range of experimental data bank for Iranian lean gas condensate reservoirs, a unique two-phase compressibility factor model was generated using design of experiments (DOE) method and neural network technique (ANN). Using DOE, a swift cubic response surface model was generated for two-phase compressibility factor as a function of some selected fluid parameters for lean gas condensate fluids. The proposed DOE and ANN models were finally validated using four new independent data series. The results showed that there is a good agreement between experimental data and the proposed models. In the end, a detailed comparison was made between the results of proposed models

Reactions of newly formed fission products in the gas phase

International Nuclear Information System (INIS)

Strickert, R.G.

1976-01-01

A dynamic gas-flow system was constructed which stopped fission products in the gas phase and rapidly separated (in less than 2 sec) volatile compounds from non-volatile ones. The filter assembly designed and used was shown to stop essentially all non-volatile fission products. Between 5 percent and 20 percent of tellurium fission-product isotopes reacted with several hydrocarbon gases to form volatile compounds, which passed through the filter. With carbon monoxide gas, volatile tellurium compound(s) (probably TeCO) were also formed with similar efficiencies. The upper limits for the yields of volatile compounds formed between CO and tin and antimony fission products were shown to be less than 0.3 percent, so tellurium nuclides, not their precursors, reacted with CO. It was found that CO reacted preferentially with independently produced tellurium atoms; the reaction efficiency of beta-produced atoms was only 27 +- 3 percent of that of the independently formed atoms. The selectivity, which was independent of the over-all reaction efficiency, was shown to be due to reaction of independently formed atoms in the gas phase. The gas phase reactions are believed to occur mainly at thermal energies because of the independence of the yield upon argon moderator mole-fraction (up to 80 percent). It was shown in some experiments that about one-half of the TeCO decomposed in passing through a filter and that an appreciable fraction (approximately 20 percent) of the tellurium atoms deposited on the filter reacted agin with CO. Other tellurium atoms on the filter surface (those formed by beta decay and those formed independently but not reacting in the gas phase) also reacted with CO, but probably somewhat less efficiently than atoms formed by TeCO decomposition. No evidence was found for formation of TeCO as a direct result of beta-decay

Ettringite and C-S-H Portland cement phases for waste ion immobilization: A review

International Nuclear Information System (INIS)

Gougar, M.L.D.; Scheetz, B.E.; Roy, D.M.

1996-01-01

The formation, structure and chemistry of the ettringite and C-S-H phases of Portland cement have been reviewed as they relate to waste ion immobilization. The purpose of this review was to investigate the use of Portland cement as a host for priority metallic pollutants as identified by the Environmental Protection Agency and as a host for radioactive waste ions as identified in 40 CFR 191. Ettringite acts as host to a number of these ions in both the columnar and channel sections of the crystal structure. Substitutions have been made at the calcium, aluminum, hydroxide and sulfate sites. C-S-H also hosts a number of the waste species in both ionic and salt form. Immobilization mechanisms for C-S-H include sorption, phase mixing and substitution. The following ions have not apparently been reported as specifically immobilized by one of these phases: Ag, Am, Np, Pu, Ra, Tc, Th and Sn; however, some of these ions are immobilized by Portland cement

Experimental and numerical investigation of shock wave propagation through complex geometry, gas continuous, two-phase media

Energy Technology Data Exchange (ETDEWEB)

Liu, James Chien-Chih [Univ. of California, Berkeley, CA (United States)

1993-01-01

The work presented here investigates the phenomenon of shock wave propagation in gas continuous, two-phase media. The motivation for this work stems from the need to understand blast venting consequences in the HYLIFE inertial confinement fusion (ICF) reactor. The HYLIFE concept utilizes lasers or heavy ion beams to rapidly heat and compress D-T targets injected into the center of a reactor chamber. A segmented blanket of failing molten lithium or Li₂BeF₄ (Flibe) jets encircles the reactors central cavity, shielding the reactor structure from radiation damage, absorbing the fusion energy, and breeding more tritium fuel.

Gas phase adsorption technology for nitrogen isotope separation and its feasibility for highly enriched nitrogen gas production

International Nuclear Information System (INIS)

Inoue, Masaki; Asaga, Takeo

2000-04-01

Highly enriched nitrogen-15 gas is favorable to reduce radioactive carbon-14 production in reactor. The cost of highly enriched nitrogen-15 gas in mass production is one of the most important subject in nitride fuel option in 'Feasibility Study for FBR and Related Fuel Cycle'. In this work gas phase adsorption technology was verified to be applicable for nitrogen isotope separation and feasible to produce highly enriched nitrogen-15 gas in commercial. Nitrogen isotopes were separated while ammonia gas flows through sodium-A type zeolite column using pressure swing adsorption process. The isotopic ratio of eight samples were measured by high resolution mass spectrometry and Fourier transform microwave spectroscopy. Gas phase adsorption technology was verified to be applicable for nitrogen isotope separation, since the isotopic ratio of nitrogen-15 and nitrogen-14 in samples were more than six times as high as in natural. The cost of highly enriched nitrogen-15 gas in mass production were estimated by the factor method. It revealed that highly enriched nitrogen-15 gas could be supplied in a few hundred yen per gram in mass production. (author)

Comparison of catalytic ethylene polymerization in slurry and gas phase

OpenAIRE

Daftaribesheli, Majid

2009-01-01

Polyethylene (PE) with the annual consumption of 70 million tones in 2007 is mostly produced in slurry, gas-phase or combination of both processes. This work focuses on a comparison between the slurry and gas phase processes. Why does PE produced in theses two processes can show extremely different properties and extremely different reaction behaviour even if the same Ziegler-Natta (ZN) catalyst is used? Generally, it is known that the reason can be found in the differences of local condition...

Optical processes in the performance and recovery of gas-phase switches

International Nuclear Information System (INIS)

Gundersen, M.

1982-01-01

In this paper several optical processes that may be used to affect gas-phase switch performance and operation are discussed, and approaches using a laser to increase recovery rates of switches are presented. In the latter the laser is used during the recovery phase rather than the conductive or closure phase. This papper suggests that it should be possible to use a low-power laser (e.g., one that is technologically feasible to use as part of a switch) to assist in opening the switch by quenching excited atomic and/or molecular species. The application of laser-induced energy extraction to gas-phase switches is also discussed

QUANTITATIVE ION-PAIR EXTRACTION OF 4(5)-METHYLIMIDAZOLE FROM CARAMEL COLOR AND ITS DETERMINATION BY REVERSED-PHASE ION-PAIR LIQUID-CHROMATOGRAPHY

DEFF Research Database (Denmark)

Thomsen, Mohens; Willumsen, Dorthe

1981-01-01

A procedure for quantitative ion-pair extraction of 4(5)-methylimidazole from caramel colour using bis(2-ethylhexyl)phosphoric acid as ion-pairing agent has been developed. Furthermore, a reversed-phase ion-pair liquid chromatographic separation method has been established to analyse the content...

DEMONSTRATION BULLETIN: GAS-PHASE CHEMICAL REDUCTION - ECO LOGIC INTERNATIONAL, INC.

Science.gov (United States)

The patented Eco Logic Process employs a gas-phase reduction reaction of hydrogen with organic and chlorinated organic compounds at elevated temperatures to convert aqueous and oily hazardous contaminants into a hydrocarbon-rich gas product. After passing through a scrubber, the ...

The electron spectrum of UF6 recorded in the gas phase

Science.gov (United States)

Mârtensson, N.; Malmquist, P.-Å.; Svensson, S.; Johansson, B.

1984-06-01

Gas phase core and valence electron spectra from UF6, excited by AlKα monochromatized x rays, in the binding energy range 0-1000 eV are presented. It is shown that the AlKα excited valence electron spectrum can be used to reassign the highest occupied molecular orbital (HOMO) in UF6. Many-body effects on the core levels are discussed and core level lifetimes are determined. The shift between solid phase and gas phase electron binding energies for core lines is used to discuss the U5 f population in UF6.

Study on characteristics of valves for pulsed gas feed into a cyclotron multicharged ion source

International Nuclear Information System (INIS)

Bogomolov, S.L.; Efremov, A.A.; Koval'chuk, I.M.; Kutner, V.B.; Pasyuk, A.S.

1984-01-01

Different valves (with rotating drum, piezoelectric and electromagnetic) for pulsed gas feed into cyclotron multicharged ion arc source are described. It is shown that piezoelectric and electromagnetic valves provide a possibility of regulating in a wide range the gas flow pulse parameters

Gas-liquid phase coexistence in a tetrahedral patchy particle model

International Nuclear Information System (INIS)

Romano, Flavio; Tartaglia, Piero; Sciortino, Francesco

2007-01-01

We evaluate the location of the gas-liquid coexistence line and of the associated critical point for the primitive model for water (PMW), introduced by Kolafa and Nezbeda (1987 Mol. Phys. 61 161). Besides being a simple model for a molecular network forming liquid, the PMW is representative of patchy proteins and novel colloidal particles interacting with localized directional short-range attractions. We show that the gas-liquid phase separation is metastable, i.e. it takes place in the region of the phase diagram where the crystal phase is thermodynamically favoured, as in the case of particles interacting via short-range attractive spherical potentials. We do not observe crystallization close to the critical point. The region of gas-liquid instability of this patchy model is significantly reduced as compared to that from equivalent models of spherically interacting particles, confirming the possibility of observing kinetic arrest in a homogeneous sample driven by bonding as opposed to packing. (fast track communication)

Vibrational Spectra of Discrete UO22+ Halide Complexes in the Gas Phase

International Nuclear Information System (INIS)

Groenewold, G.S.; Van Stipdonk, Michael J.; Oomens, Jos; De Jong, Wibe A.; Gresham, Garold L.; Mcilwain, Michael

2010-01-01

The intrinsic binding of halide ions to the metal center in the uranyl molecule is a topic of ongoing research interest in both the actinide separations and theoretical communities. Investigations of structure in the condensed phases is frequently obfuscated by solvent interactions that can alter ligand binding and spectroscopic properties. The approach taken in this study is to move the uranyl halide complexes into the gas phase where they are free from solvent interactions, and then interrogate their vibrational spectroscopy using infrared multiple photon dissociation (IRMPD). The spectra of cationic coordination complexes having the composition (UO 2 (X)(ACO) 3 ) + (where X = F, Cl, Br and I; ACO = acetone) were acquired using electrospray for ion formation, and monitoring the ion signal from the photoelimination of ACO ligands. The studies showed that the asymmetric ν 3 UO 2 frequency was insensitive to halide identity as X was varied from Cl to I, suggesting that in these pseudo-octahedral complexes, changing the nucleophilicity of the halide did not appreciably alter its binding in the complex. The ν 3 peak in the spectrum of the F-containing complex was 9 cm -1 lower indicating stronger coordination in this complex. Similarly the ACO carbonyl stretches showed that the C=O frequency was relatively insensitive to the identity of the halide, although a modest shift to higher wavenumber was seen for the complexes with the more nucleophilic anions, consistent with the idea that they loosen solvent binding. Surprisingly, the ν 1 stretch was activated when the softer anions Cl, Br and I were present in the complexes. IR studies of the anionic complexes (UO 2 X 3 ) - (where X = Cl - , Br - and I - ) compared the ν 3 UO 2 modes versus halide, and showed that the ν 3 values decreased with increasing anion nucleophilicity. This observation was consistent with DFT calculations that indicated that (UO 2 X 2 ) - -X, and (UO 2 X 2 )·-X - dissociation energies

Prediction of turbulent mixing rates of both gas and liquid phases between adjacent subchannels in a two-phase slug-churn flow

International Nuclear Information System (INIS)

Kawahara, A.; Sadatomi, M.; Tomino, T.; Sato, Y.

1998-01-01

This paper presents a slug-churn flow model for predicting turbulent mixing rates of both gas and liquid phase between adjacent subchannels in a BWR fuel rod bundle. In the model, the mixing rate of the liquid phase is calculated as the sum of the three components, i.e., turbulent diffusion, convective transfer and pressure difference fluctuations between the subchannels. The compenents of turbulent diffusion and convective transfer are calculated from Sadatomi et al.'s (1996) method, applicable to single-phase turbulent mixing by considering the effect of the increment of liquid velocity due to the presence of gas phase. The component of the pressure difference fluctuations is evaluated from a newly developed correlations. The mixing rate of the gas phase, on the other side, is calculated from a simple relation of mixing rate between gas and liquid phases. The validity of the proposed model has been confirmed with the turbulent mixing rates data of Rudzinski et al. as well as the present authors

Phase stability of zirconium oxide films during focused ion beam milling

Science.gov (United States)

Baxter, Felicity; Garner, Alistair; Topping, Matthew; Hulme, Helen; Preuss, Michael; Frankel, Philipp

2018-06-01

Focused ion beam (FIB) is a widely used technique for preparation of electron transparent samples and so it is vital to understand the potential for introduction of FIB-induced microstructural artefacts. The bombardment of both Xe+ and Ga+ ions is observed to cause extensive monoclinic to tetragonal phase transformation in ZrO2 corrosion films, however, this effect is diminished with reduced energy and is not observed below 5 KeV. This study emphasises the importance of careful FIB sample preparation with a low energy cleaning step, and also gives insight into the stabilisation mechanism of the tetragonal phase during oxidation.

Study of the average charge states of 188Pb and 252,254No ions at the gas-filled separator TASCA

International Nuclear Information System (INIS)

Khuyagbaatar, J.; Ackermann, D.; Andersson, L.-L.; Ballof, J.; Brüchle, W.; Düllmann, Ch.E.; Dvorak, J.; Eberhardt, K.; Even, J.; Gorshkov, A.; Graeger, R.; Heßberger, F.-P.; Hild, D.; Hoischen, R.; Jäger, E.; Kindler, B.

2012-01-01

The average charge states of 188 Pb and 252,254 No ions in dilute helium gas were measured at the gas-filled recoil separator TASCA. Hydrogen gas was also used as a filling gas for measurements of the average charge state of 254 No. Helium and hydrogen gases at pressures from 0.2 mbar to 2.0 mbar were used. A strong dependence of the average charge state on the pressure of the filling gases was observed for both, helium and hydrogen. The influence of this dependence, classically attributed to the so-called “density effect”, on the performance of TASCA was investigated. The average charge states of 254 No ions were also measured in mixtures of helium and hydrogen gases at low gas pressures around 1.0 mbar. From the experimental results simple expressions for the prediction of average charge states of heavy ions moving in rarefied helium gas, hydrogen gas, and in their mixture were derived.

Design studies of heavy ion linear accelerators constructed of independently phased spiral resonators

International Nuclear Information System (INIS)

Stokes, R.H.; Armstrong, D.D.

1975-01-01

Preliminary design studies are reported for two linear accelerators for heavy ions. One accelerator is a high-intensity machine which would operate with 100 percent duty factor and would produce tin ions with 6.1 MeV/A. Alternatively, it could be operated under pulsed conditions with 25 percent duty factor and would then accelerate uranium ions to 8.1 MeV/A, tin ions to 10.5 MeV/A, and all lighter ions to higher velocities. It would be injected with a positive multicharge ion source and a 4-MV single-ended dc generator. Also, design studies are reported for small postaccelerator injected by a model FN tandem. Both accelerators use three-drift-tube spiral resonators operating at room temperature. Magnetic quadrupole singlets are placed between all resonators to provide radial focussing. Each resonator is independently phased according to the velocity of the ion to be accelerated. The ability to adjust the phase of each resonator permits variations in final energy and other beam properties with great flexibility. (U.S.)

Phase transition dynamics in ultrarelativistic heavy ion collisions

International Nuclear Information System (INIS)

Csernai, L.P.; Zabrodin, E.E.; Moscow State Univ.

1993-01-01

We investigate various problems related to the dynamics of a first-order phase transition from quarkgluon plasma to hadronic matter in ultra-relativistic heavy ion collisions. These include nucleation, growth and fusion of hadronic bubbles in either the Bjorken longitudinal hydrodynamic expansion model or the Cooper-Frye-Schonberg spherical hydrodynamic expansion model. With reasonable input parameters the conversion of one phase into the other is relatively close to the idealized adiabatic Maxwell construction, although one can choose parameters such that the conversion is strongly out of equilibrium. (orig.)

Phase transition dynamics in ultrarelativistic heavy ion collisions

International Nuclear Information System (INIS)

Csernai, L.P.; Kapusta, J.I.; Kluge, Gy.; Hungarian Academy of Sciences, Budapest; Zabrodin, E.E.; Moskovskij Gosudarstvennyj Univ., Moscow

1992-12-01

Various problems were investigated concerning the dynamics of a first-order phase transition from quark-gluon plasma to hadronic matter in ultra-relativistic heavy ion collisions. These include nucleation, growth and fusion of hadronic bubbles in either the Bjorken longitudinal hydrodynamic expansion model or the Cooper-Frye-Schonberg spherical hydrodynamic expansion model. With reasonable input parameters the conversion of one phase into the other is relatively close to the idealized adiabatic Maxwell construction, although one can choose parameters such that the conversion is strongly out of equilibrium. (author) 10 refs.; 7 figs

Loss of ammonia during electron-transfer dissociation of deuterated peptides as an inherent gauge of gas-phase hydrogen scrambling

DEFF Research Database (Denmark)

Rand, Kasper D; Zehl, Martin; Jensen, Ole Nørregaard

2010-01-01

detected by a depletion of deuterium when deuterated ammonia is lost from peptides during ETD. This straightforward method requires no modifications to the experimental workflow and has the great advantage that the occurrence of hydrogen scrambling can be directly detected in the actual peptides analyzed......The application of electron-transfer dissociation (ETD) to obtain single-residue resolution in hydrogen exchange-mass spectrometry (HX-MS) experiments has recently been demonstrated. For such measurements, it is critical to ensure that the level of gas-phase hydrogen scrambling is negligible. Here...... we utilize the abundant loss of ammonia upon ETD of peptide ions as a universal reporter of positional randomization of the exchangeable hydrogens (hydrogen scrambling) during HX-ETD experiments. We show that the loss of ammonia from peptide ions proceeds without depletion of deuterium when employing...

Highly Selective Continuous Gas-Phase Methoxycarbonylation of Ethylene with Supported Ionic Liquid Phase (SILP) Catalysts

DEFF Research Database (Denmark)

Khokarale, Santosh Govind; Garcia Suárez, Eduardo José; Fehrmann, Rasmus

2017-01-01

Supported ionic liquid phase (SILP) technology was applied for the first time to the Pd-catalyzed continuous, gas-phase methoxycarbonylation of ethylene to selectively produce methyl propanoate (MP) in high yields. The influence of catalyst and reaction parameters such as, for example, ionic liquid...

Method and device for ion mobility separations

Science.gov (United States)

Ibrahim, Yehia M.; Garimella, Sandilya V. B.; Smith, Richard D.

2017-07-11

Methods and devices for ion separations or manipulations in gas phase are disclosed. The device includes a single non-planar surface. Arrays of electrodes are coupled to the surface. A combination of RF and DC voltages are applied to the arrays of electrodes to create confining and driving fields that move ions through the device. The DC voltages are static DC voltages or time-dependent DC potentials or waveforms.

Zpif's law in the liquid gas phase transition of nuclei

International Nuclear Information System (INIS)

Ma, Y.G.

1999-01-01

Zpif's law in the field of linguistics is tested in the nuclear disassembly within the framework of isospin dependent lattice gas model. It is found that the average cluster charge (or mass) of rank n in the charge (or mass) list shows exactly inversely to its rank, i.e., there exists Zpif's law, at the phase transition temperature. This novel criterion shall be helpful to search the nuclear liquid gas phase transition experimentally and theoretically. In addition, the finite size scaling of the effective phase transition temperature at which the Zpif's law appears is studied for several systems with different mass and the critical exponents of ν and β are tentatively extracted. (orig.)

Improvement of the yield of highly charged ions by a gas-pulsing technique and the current status of the NIRS Penning source

International Nuclear Information System (INIS)

Miyata, Tomohiro; Miyoshi, Tomohiro; Sakuma, Tetsuya; Yamamoto, Mitsugu; Kitagawa, Atsushi; Muramatsu, Masayuki; Sato, Yukio

2004-01-01

The yields of highly charged ions have been improved by using a gas-pulsing technique in the pulsed Penning-ionized-gauge ion source (PIGIS) in the heavy-ion medical accelerator in Chiba. So far, this pulsed PIGIS has been operated under a low-duty factor (10 -2 -10 -3 ), in which the gas flow is not being pulsed. A solenoid-type gas valve, having a simple structure compared to the piezo-electric type, was attached to the outside of the PIGIS chamber in order to control the gas flow into the PIGIS chimney. Beam tests for Ne with gas pulsing showed that the pressure response time should actually be a few tens ms, and the intensity of Ne 6+ was increased by ten times, from 20 to 200 eμA. The gas pulsing also improved the average vacuum in the low energy beam transport (LEBT) line by a factor of 4. When producing H 2 + , H 3 + , and He 1+ by PIGIS with gas pulsing, the beam loss of highly charged ions from electron cyclotron resonance ion sources in the LEBT was reduced to be negligible; meanwhile, it was around 30% without gas pulsing. This paper describes the gas-pulsing technique and the preliminary results, as well as some recent developments in the NIRS-PIGIS

Detection of lysergic acid diethylamide (LSD) in urine by gas chromatography-ion trap tandem mass spectrometry.

Science.gov (United States)

Sklerov, J H; Kalasinsky, K S; Ehorn, C A

1999-10-01

A confirmatory method for the detection and quantitation of lysergic acid diethylamide (LSD) is presented. The method employs gas chromatography-tandem mass spectrometry (GC-MS-MS) using an internal ionization ion trap detector for sensitive MS-MS-in-time measurements of LSD extracted from urine. Following a single-step solid-phase extraction of 5 mL of urine, underivatized LSD can be measured with limits of quantitation and detection of 80 and 20 pg/mL, respectively. Temperature-programmed on-column injections of urine extracts were linear over the concentration range 20-2000 pg/mL (r2 = 0.999). Intraday and interday coefficients of variation were LSD-positive samples in this laboratory. Comparisons with alternate GC-MS methods and extraction procedures are discussed.

Condensation in gas transmission pipelines. Phase behavior of mixtures of hydrogen with natural gas

Energy Technology Data Exchange (ETDEWEB)

Schouten, J.A.; Michels, J.P.J. [Amsterdam Univ. (Netherlands). Van der Waals-Zeeman Inst.; Rosmalen, R.J. van [Energy, Roden (Netherlands)

2005-05-01

Several pressure and temperature reductions occur along gas transmission lines. Since the pressure and temperature conditions of the natural gas in the pipeline are often close to the dew point curve, liquid dropout can occur. Injection of hydrogen into the natural gas will change the phase envelope and thus the liquid dropout. This condensation of the heavy hydrocarbons requires continuous operational attention and a positive effect of hydrogen may affect the decision to introduce hydrogen. In this paper we report on calculations of the amount of condensate in a natural gas and in this natural gas mixed with 16.7% hydrogen. These calculations have been performed at conditions prevailing in gas transport lines. The results will be used to discuss the difference in liquid dropout in a natural gas and in a mixture with hydrogen at pressure reduction stations, at crossings under waterways, at side-branching, and at separators in the pipelines. (author)

Longitudinal and transverse dynamics of ions from residual gas in an electron accelerator

Science.gov (United States)

Gamelin, A.; Bruni, C.; Radevych, D.

2018-05-01

The ion cloud produced from residual gas in an electron accelerator can degrade machine performances and produce instabilities. The ion dynamics in an accelerator is governed by the beam-ion interaction, magnetic fields and eventual mitigation strategies. Due to the fact that the beam has a nonuniform transverse size along its orbit, the ions move longitudinally and accumulate naturally at some points in the accelerator. In order to design effective mitigation strategies it is necessary to understand the ion dynamics not only in the transverse plane but also in the longitudinal direction. After introducing the physics behind the beam-ion interaction, we show how to get accumulation points for a realistic electron storage ring lattice. Simulations of the ion cloud dynamics, including the effect of magnetic fields on the ions, clearing electrodes and clearing gaps are shown. Longitudinal ion trapping due to the magnetic mirror effect in the dipole fringe fields is also detailed. Finally, the effectiveness of clearing electrode using longitudinal clearing fields is discussed and compared to clearing electrodes producing transverse field only.

Ion transport and phase transformation in thin film intercalation electrodes

Energy Technology Data Exchange (ETDEWEB)

Wunde, Fabian; Nowak, Susann; Muerter, Juliane; Hadjixenophontos, Efi; Berkemeier, Frank; Schmitz, Guido [Stuttgart Univ. (Germany). Inst. fuer Materialwissenschaft

2017-11-15

Thin film battery electrodes of the olivine structure LiFePO{sub 4} and the spinel phase LiMn{sub 2}O{sub 4} are deposited through ion-beam sputtering. The intercalation kinetics is studied by cyclo-voltammetry using variation of the cycling rate over 4 to 5 orders of magnitude. The well-defined layer geometry allows a detailed quantitative analysis. It is shown that LiFePO{sub 4} clearly undergoes phase separation during intercalation, although the material is nano-confined and very high charging rates are applied. We present a modified Randles-Sevcik evaluation adapted to phase-separating systems. Both the charging current and the overpotential depend on the film thickness in a systematic way. The analysis yields evidence that the grain boundaries are important short circuit paths for fast transport. They increase the electrochemical active area with increasing layer thickness. Evidence is obtained that the grain boundaries in LiFePO{sub 4} have the character of an ion-conductor of vanishing electronic conductivity.

Nature of gallium focused ion beam induced phase transformation in 316L austenitic stainless steel

International Nuclear Information System (INIS)

Babu, R. Prasath; Irukuvarghula, S.; Harte, A.; Preuss, M.

2016-01-01

The microstructural evolution and chemistry of the ferrite phase (α), which transforms from the parent austenite phase (γ) of 316L stainless steel during gallium (Ga) ion beam implantation in Focused Ion Beam (FIB) instrument was systematically studied as a function of Ga"+ ion dose and γ grain orientations. The propensity for initiation of γ → α phase transformation was observed to be strongly dependent on the orientation of the γ grain with respect to the ion beam direction and correlates well with the ion channelling differences in the γ orientations studied. Several α variants formed within a single γ orientation and the sputtering rate of the material, after the γ → α transformation, is governed by the orientation of α variants. With increased ion dose, there is an evolution of orientation of the α variants towards a variant of higher Ga"+ channelling. Unique topographical features were observed within each specific γ orientation that can be attributed to the orientation of defects formed during the ion implantation. In most cases, γ and α were related by either Kurdjumov-Sachs (KS) or Nishiyama-Wassermann (NW) orientation relationship (OR) while in few, no known OR's were identified. While our results are consistent with gallium enrichment being the cause for the γ → α phase transformation, some observations also suggest that the strain associated with the presence of gallium atoms in the lattice has a far field stress effect that promotes the phase transformation ahead of gallium penetration.

Calculation of ion storage in electron beams with account of ion-ion interactions

International Nuclear Information System (INIS)

Perel'shtejn, Eh.A.; Shirkov, G.D.

1979-01-01

Ion storage in relativistic electron beams was calculated taking account of ion-ion charge exchange and ionization. The calculations were made for nitrogen ion storage from residual gas during the compression of electron rings in the adhezator of the JINR heavy ion accelerator. The calculations were made for rings of various parameters and for various pressures of the residual gas. The results are compared with analogous calculations made without account of ion-ion processes. It is shown that at heavy loading of a ring by ions ion-ion collisions play a significant part, and they should be taken into account while calculating ion storage

Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

International Nuclear Information System (INIS)

Ali, A.N.; Son, S.F.; Asay, B.W.; Sander, R.K.

2005-01-01

Various thermal (radiative, conductive, and convective) initiation experiments are performed to demonstrate the importance of the gas phase role in combustion modeling of energetic materials (EM). A previously published condensed phase model that includes a predicted critical irradiance above which ignition is not possible is compared to experimental laser ignition results for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT). Experimental results conflict with the predicted critical irradiance concept. The failure of the model is believed to result from a misconception about the role of the gas phase in the ignition process of energetic materials. The model assumes that ignition occurs at the surface and that evolution of gases inhibits ignition. High speed video of laser ignition, oven cook-off and hot wire ignition experiments captures the ignition of HMX and TNT in the gas phase. A laser ignition gap test is performed to further evaluate the effect of gas phase laser absorption and gas phase disruption on the ignition process. Results indicate that gas phase absorption of the laser energy is probably not the primary factor governing the gas phase ignition observations. It is discovered that a critical gap between an HMX pellet and a salt window of 6 mm±0.4 mm exists below which ignition by CO 2 laser is not possible at the tested irradiances of 29 W/cm 2 and 38 W/cm 2 for HMX ignition. These observations demonstrate that a significant disruption of the gas phase, in certain scenarios, will inhibit ignition, independent of any condensed phase processes. These results underscore the importance of gas phase processes and illustrate that conditions can exist where simple condensed phase models are inadequate to accurately predict the behavior of energetic materials

Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

Science.gov (United States)

Ali, A. N.; Son, S. F.; Asay, B. W.; Sander, R. K.

2005-03-01

Various thermal (radiative, conductive, and convective) initiation experiments are performed to demonstrate the importance of the gas phase role in combustion modeling of energetic materials (EM). A previously published condensed phase model that includes a predicted critical irradiance above which ignition is not possible is compared to experimental laser ignition results for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT). Experimental results conflict with the predicted critical irradiance concept. The failure of the model is believed to result from a misconception about the role of the gas phase in the ignition process of energetic materials. The model assumes that ignition occurs at the surface and that evolution of gases inhibits ignition. High speed video of laser ignition, oven cook-off and hot wire ignition experiments captures the ignition of HMX and TNT in the gas phase. A laser ignition gap test is performed to further evaluate the effect of gas phase laser absorption and gas phase disruption on the ignition process. Results indicate that gas phase absorption of the laser energy is probably not the primary factor governing the gas phase ignition observations. It is discovered that a critical gap between an HMX pellet and a salt window of 6mm±0.4mm exists below which ignition by CO2 laser is not possible at the tested irradiances of 29W /cm2 and 38W/cm2 for HMX ignition. These observations demonstrate that a significant disruption of the gas phase, in certain scenarios, will inhibit ignition, independent of any condensed phase processes. These results underscore the importance of gas phase processes and illustrate that conditions can exist where simple condensed phase models are inadequate to accurately predict the behavior of energetic materials.

Investigating the gas phase emitter effect of caesium and cerium in ceramic metal halide lamps in dependence on the operating frequency

Energy Technology Data Exchange (ETDEWEB)

Ruhrmann, C; Westermeier, M; Bergner, A; Awakowicz, P; Mentel, J [Ruhr University Bochum, Electrical Engineering and Plasma Technology, D-44780 Bochum (Germany); Luijks, G M J F, E-mail: juergen.mentel@ruhr-uni-bochum.de [Philips Lighting, GBU HID, PO box 80020, 5600JM Eindhoven (Netherlands)

2011-09-07

The work function and with it the temperature of tungsten electrodes in HID lamps can be lowered and the lifetime of lamps increased by the gas phase emitter effect. A determination of the emitter effect of Cs and Ce is performed by phase resolved measurements of the electrode tip temperature T{sub tip}({psi}), plasma temperature T{sub pl}({psi}) and particle densities N({psi}) by means of pyrometric, optical emission and broadband absorption spectroscopy in dependence on the operating frequency. The investigated HID lamps are ceramic metal halide lamps with transparent discharge vessels made of YAG, filled with a buffer gas consisting of Ar, Kr and predominantly Hg and seeded with CsI or CeI{sub 3}. In the YAG lamp seeded with CsI and CeI{sub 3} as well as in a YAG lamp seeded with DyI{sub 3} (corresponding results can be found in a preceding paper) a gas phase emitter effect is observed in the cathodic phase due to a Cs, Ce or Dy ion current. In the YAG lamp seeded with CsI the phase averaged coverage of the electrode surface with emitter atoms decreases and the electrode temperature rises with increasing frequency, whereas the emitter effect of Ce and Dy is extended to the anodic phase, which leads to a decreased average temperature T{sub tip}({psi}) with increasing frequency. This different behaviour of the averaged values of T{sub tip}({psi}) for increasing frequency is caused by the differing adsorption energies E{sub a} of the respective emitter materials. In spite of the influence of E{sub a} on the coverage of the electrode with emitter atoms, the cathodic gas phase emitter effect produces in the YAG lamps seeded with CsI, CeI{sub 3} and DyI{sub 3} a general reduction in the electrode tip temperature T{sub tip}({psi}) in comparison with a YAG lamp with Hg filling only.

Gas-phase polynuclear aromatic hydrocarbons (PAH) in vehicle exhaust: A method for collection and analysis

International Nuclear Information System (INIS)

Seigl, W.O.; Chladek, E.

1990-01-01

Gas-phase polynuclear aromatic hydrocarbons (PAH) are emitted at low levels in vehicle exhaust compared to other hydrocarbon emissions. A method has been developed involving the trapping of gas phase emissions on Tenax, a macrorecticular porous polymer, followed by thermal desorption onto a capillary gas chromatography column. Gas chromatography/mass spectrometry (GC/MS) was used for the chemical analysis. A detection limit of 0.05 ng was achieved for several gas-phase PAH. This high sensitivity enables the speciation and quantitation of gas-phase PAH collected from a dilution tube during standard driving (test) cycles. The method was demonstrated for the analysis of 9 PAH in the exhaust from a 1987 vehicle (with and without catalyst) during the hot start transient phase of the EPA urban dynamometer driving schedule. The PAH measured include naphthalene, 2-methyl- and 1-methylnaphthalene, biphenyl, fluorene, phenanthrene, anthracene, fluoranthene and pyrene. The four most abundant PAH observed are naphthalene, 2-methyl and 1-methylnaphthalene, and biphenyl, in that order

Characteristics of the positive ion source at reduced gas feed

Energy Technology Data Exchange (ETDEWEB)

Sharma, S. K., E-mail: sksharma@ipr.res.in; Bharathi, P.; Prahlad, V.; Patel, P. J.; Choksi, B.; Jana, M. R.; Bansal, L. K.; Qureshi, K.; Sumod, C. B.; Vadher, V.; Thakkar, D.; Gupta, L. N.; Rambabu, S.; Parmar, S.; Contractor, N.; Sahu, A. K.; Pandya, B.; Sridhar, B.; Pandya, S.; Baruah, U. K. [Institute for Plasma Research, Bhat, Gandhinagar (India)

2014-11-15

The neutral beam injector of steady state superconducting tokamak (SST1-NBI) at IPR is designed for injecting upto 1.7 MW of neutral beam (Hº, 30–55 keV) power to the tokamak plasma for heating and current drive. Operations of the positive ion source (PINI or Plug-In-Neutral-Injector) of SST1-NBI were carried out on the NBI test stand. The PINI was operated at reduced gas feed rate of 2–3 Torr l/s, without using the high speed cryo pumps. Experiments were conducted to achieve a stable beam extraction by optimizing operational parameters namely, the arc current (120–300 A), acceleration voltage (16–40 kV), and a suitable control sequence. The beam divergence, power density profiles, and species fractions (H{sup +}:H{sub 2}{sup +}:H{sub 3}{sup +}) were measured by using the diagnostics such as thermal calorimetry, infrared thermography, and Doppler shift spectroscopy. The maximum extracted beam current was about 18 A. A further increase of beam current was found to be limited by the amount of gas feed rate to the ion source.

Shot-noise-limited monitoring and phase locking of the motion of a single trapped ion.

Science.gov (United States)

Bushev, P; Hétet, G; Slodička, L; Rotter, D; Wilson, M A; Schmidt-Kaler, F; Eschner, J; Blatt, R

2013-03-29

We perform a high-resolution real-time readout of the motion of a single trapped and laser-cooled Ba+ ion. By using an interferometric setup, we demonstrate a shot-noise-limited measurement of thermal oscillations with a resolution of 4 times the standard quantum limit. We apply the real-time monitoring for phase control of the ion motion through a feedback loop, suppressing the photon recoil-induced phase diffusion. Because of the spectral narrowing in the phase-locked mode, the coherent ion oscillation is measured with a resolution of about 0.3 times the standard quantum limit.

Ion-molecule reactions: their role in radiation chemistry

International Nuclear Information System (INIS)

Lias, S.G.; Ausloos, P.

1975-01-01

A comprehensive review of ion--molecule reactions is presented, including information from mass spectrometric, organic chemistry, and NMR studies, from theoretical calculations, and from gas and liquid phase radiation chemistry. Special emphasis is placed on interpreting the role of ion--molecule reactions in systems under high energy irradiation. The discussion is presented under the following chapter headings: ion--molecule reactions and their role in radiation chemistry; unimolecular processes: the nature and structure of ionic intermediates in radiolysis; ion lifetimes and the fate of unreactive ions; kinetics and mechanisms of ion--molecule reactions; proton transfer reactions; negative atom and two-atom transfer reactions; condensation reactions; and, association or clustering reactions

Measurement of pressure fluctuation in gas-liquid two-phase vortex street

International Nuclear Information System (INIS)

Sun Zhiqiang; Sang Wenhui; Zhang Hongjian

2009-01-01

The pressure fluctuation in the wake is an important parameter to characterize the shedding process of gas-liquid two-phase Karman vortex street. This paper investigated such pressure fluctuations in a horizontal pipe using air and water as the tested fluid media. The dynamic signal representing the pressure fluctuation was acquired by the duct-wall differential pressure method. Results show that in the wake of the gas-liquid two-phase Karman vortex street, the frequency of the pressure fluctuation is linear with the Reynolds number when the volume void fraction is within the range of 18%. Moreover, the mean amplitude of the pressure fluctuation decreases with the volume void fraction, and the mean amplitude is larger at higher water flowrates under the same volume void fraction. These findings contribute to an in-depth understanding of the gas-liquid two-phase Karman vortex street.

Use of europium ions for SAD phasing of lysozyme at the Cu Kα wavelength

International Nuclear Information System (INIS)

Vijayakumar, Balakrishnan; Velmurugan, Devadasan

2012-01-01

Europium(III) ions bound to the surface of hen egg-white lysozyme were found to exhibit good anomalous signal facilitating SAD phasing using laboratory-source data and automated model building. The europium ion-binding sites were observed up to the 15σ level. Europium is shown to be a good anomalous scatterer in SAD phasing for solving the structure of biological macromolecules. The large value of the anomalous contribution of europium, f′′ = 11.17 e − , at the Cu Kα wavelength is an advantage in de novo phasing and automated model building. Tetragonal crystals of hen egg-white lysozyme (HEWL) incorporating europium(III) chloride (50 mM) were obtained which diffracted to a resolution of 2.3 Å at a wavelength of 1.54 Å (Cu Kα). The master data set (360° frames) was split and analyzed for anomalous signal-to-noise ratio, multiplicity, completeness, SAD phasing and automated building. The structure solution and model building of the split data sets were carried out using phenix.autosol and phenix.autobuild. The contributions of the Eu ions to SAD phasing using in-house data collection are discussed. This study revealed successful lysozyme phasing by SAD using laboratory-source data involving Eu ions, which are mainly coordinated by the side chains of Asn46, Asp52 and Asp101 together with some water molecules

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.

Flow-pattern identification and nonlinear dynamics of gas-liquid two-phase flow in complex networks.

Science.gov (United States)

Gao, Zhongke; Jin, Ningde

2009-06-01

The identification of flow pattern is a basic and important issue in multiphase systems. Because of the complexity of phase interaction in gas-liquid two-phase flow, it is difficult to discern its flow pattern objectively. In this paper, we make a systematic study on the vertical upward gas-liquid two-phase flow using complex network. Three unique network construction methods are proposed to build three types of networks, i.e., flow pattern complex network (FPCN), fluid dynamic complex network (FDCN), and fluid structure complex network (FSCN). Through detecting the community structure of FPCN by the community-detection algorithm based on K -mean clustering, useful and interesting results are found which can be used for identifying five vertical upward gas-liquid two-phase flow patterns. To investigate the dynamic characteristics of gas-liquid two-phase flow, we construct 50 FDCNs under different flow conditions, and find that the power-law exponent and the network information entropy, which are sensitive to the flow pattern transition, can both characterize the nonlinear dynamics of gas-liquid two-phase flow. Furthermore, we construct FSCN and demonstrate how network statistic can be used to reveal the fluid structure of gas-liquid two-phase flow. In this paper, from a different perspective, we not only introduce complex network theory to the study of gas-liquid two-phase flow but also indicate that complex network may be a powerful tool for exploring nonlinear time series in practice.

Sympathetic cooling of ions in a hybrid atom ion trap

Energy Technology Data Exchange (ETDEWEB)

Hoeltkemeier, Bastian

2016-10-27

In this thesis the dynamics of a trapped ion immersed in a spatially localized buffer gas is investigated. For a homogeneous buffer gas, the ion's energy distribution reaches a stable equilibrium only if the mass of the buffer gas atoms is below a critical value. This limitation can be overcome by using multipole traps in combination and/or a spatially confined buffer gas. Using a generalized model for elastic collisions of the ion with the buffer gas atoms, the ion's energy distribution is numerically determined for arbitrary buffer gas distributions and trap parameters. Three regimes characterized by the respective analytic form of the ion's equilibrium energy distribution are found. One of these is a novel regime at large atom-to-ion mass ratios where the final ion temperature can tuned by adiabatically decreasing the spatial extension of the buffer gas and the effective ion trap depth (forced sympathetic cooling). The second part of the thesis presents a hybrid atom ion trap designed for sympathetic cooling of hydroxide anions. In this hybrid trap the anions are immersed in a cloud of laser cooled rubidium atoms. The translational and rovibrational temperatures of the anions is probed by photodetachment tomography and spectroscopy which shows the first ever indication of sympathetic cooling of anions by laser cooled atoms.

Electrospray Ionization Mass Spectrometry: From Cluster Ions to Toxic metal Ions in Biology

Energy Technology Data Exchange (ETDEWEB)

Lentz, Nicholas B. [Iowa State Univ., Ames, IA (United States)

2007-01-01

This dissertation focused on using electrospray ionization mass spectrometry to study cluster ions and toxic metal ions in biology. In Chapter 2, it was shown that primary, secondary and quarternary amines exhibit different clustering characteristics under identical instrument conditions. Carbon chain length also played a role in cluster ion formation. In Chapters 3 and 4, the effects of solvent types/ratios and various instrumental parameters on cluster ion formation were examined. It was found that instrument interface design also plays a critical role in the cluster ion distribution seen in the mass spectrum. In Chapter 5, ESI-MS was used to investigate toxic metal binding to the [Gln¹¹]-amyloid β-protein fragment (1-16). Pb and Cd bound stronger than Zn, even in the presence of excess Zn. Hg bound weaker than Zn. There are endless options for future work on cluster ions. Any molecule that is poorly ionized in positive ion mode can potentially show an increase in ionization efficiency if an appropriate anion is used to produce a net negative charge. It is possible that drug protein or drug/DNA complexes can also be stabilized by adding counter-ions. This would preserve the solution characteristics of the complex in the gas phase. Once in the gas phase, CID could determine the drug binding location on the biomolecule. There are many research projects regarding toxic metals in biology that have yet to be investigated or even discovered. This is an area of research with an almost endless future because of the changing dynamics of biological systems. What is deemed safe today may show toxic effects in the future. Evolutionary changes in protein structures may render them more susceptible to toxic metal binding. As the understanding of toxicity evolves, so does the demand for new toxic metal research. New instrumentation designs and software make it possible to perform research that could not be done in the past. What was undetectable yesterday will

Ion-pairing reversed-phased chromatography/mass spectrometry of heparin

DEFF Research Database (Denmark)

Henriksen, Jens; Roepstorff, Peter; Ringborg, Lene H.

2006-01-01

not well characterised. In order to further characterise such mixtures, two on-line ion-pairing reverse-phased chromatography electrospray ionisation (ESI) mass spectrometry methods have been developed. One of the systems allows the determination of more than 200 components in a medium molecular weight...

Monitoring gas-phase CO2 in the headspace of champagne glasses through combined diode laser spectrometry and micro-gas chromatography analysis.

Science.gov (United States)

Moriaux, Anne-Laure; Vallon, Raphaël; Parvitte, Bertrand; Zeninari, Virginie; Liger-Belair, Gérard; Cilindre, Clara

2018-10-30

During Champagne or sparkling wine tasting, gas-phase CO 2 and volatile organic compounds invade the headspace above glasses, thus progressively modifying the chemical space perceived by the consumer. Gas-phase CO 2 in excess can even cause a very unpleasant tingling sensation perturbing both ortho- and retronasal olfactory perception. Monitoring as accurately as possible the level of gas-phase CO 2 above glasses is therefore a challenge of importance aimed at better understanding the close relationship between the release of CO 2 and a collection of various tasting parameters. Here, the concentration of CO 2 found in the headspace of champagne glasses served under multivariate conditions was accurately monitored, all along the 10 min following pouring, through a new combined approach by a CO 2 -Diode Laser Sensor and micro-gas chromatography. Our results show the strong impact of various tasting conditions (volume dispensed, intensity of effervescence, and glass shape) on the release of gas-phase CO 2 above the champagne surface. Copyright © 2018 Elsevier Ltd. All rights reserved.

Ion detection in mass spectrometry

International Nuclear Information System (INIS)

Bolbach, Gerard

2016-03-01

This course aims at providing some elements for a better understanding of ion detectors used in mass spectrometers, of their operations, and of their limitations. A first part addresses the functions and properties of an ideal detector, how to detect ions in gas phase, and particle detectors and ion detectors used in mass spectrometry. The second part proposes an overview of currently used detectors with respect to their operation principle: detection from the ion charge (Faraday cylinder), detection by inductive effects (FTICR, Fourier Transform Ion Cyclotron Resonance), and detection by secondary electron emission. The third part discusses the specificities of secondary electron emission. The fourth one addresses operating modes and parameters related to detectors. The sixth part proposes a prospective view on future detectors by addressing the following issues: cryo-detector, inductive effect and charge detectors, ion detection and nano materials

Possibilities of gas-phase radio-chromatography application to permanent-gas analysis

International Nuclear Information System (INIS)

Dupuis, M.C.; Charrier, G.; Alba, C.; Massimino, D.

1970-01-01

The gas-phase radio-chromatography technique has been applied to the rapid analysis of permanent gases (H 2 , O 2 , N 2 , A, Kr, Xe, CO, CH 4 ) labelled with radioactive indicators ( 3 H, 37 A, 85 Kr, 133 Xe). After calibration, the components of such a mixture can be identified and their concentrations measured in less than two hours, using a sample volume of from 0.1 to 10 cm 3 . The minimum detectable activity is of the order of 10 -4 μC for each radioactive isotope. The measurements are reproducible to about 2 to 3 per cent. This work has been mainly concerned with the influence of parameters affecting the response of the radioactivity detector (ionization chamber or gas flow proportional counter). The method has very numerous applications both theoretically, for the study of chromatographic phenomena under ideal conditions (infinitesimal concentrations made possible by the use of radioactive tracers), and practically, for rapid and accurate radiochemical analysis of radioactive gas mixtures. (authors) [fr

Swift heavy ion irradiation induced phase transformation in undoped and niobium doped titanium dioxide composite thin films

Energy Technology Data Exchange (ETDEWEB)

Gautam, Subodh K., E-mail: subodhkgtm@gmail.com [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India); Chettah, Abdelhak [LGMM Laboratory, Université 20 Août 1955-Skikda, BP 26, 21000 Skikda (Algeria); Singh, R.G. [Department of Physics, Bhagini Nivedita College, Delhi University, Delhi 110043 (India); Ojha, Sunil; Singh, Fouran [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India)

2016-07-15

Study reports the effect of swift heavy ion (SHI) irradiation induced phase transformation in undoped and Niobium doped anatase TiO{sub 2} composite thin films. Investigations were carried out at different densities of electronic excitations (EEs) using 120 MeV Ag and 130 MeV Ni ions irradiations. Films were initially annealed at 900 °C and results revealed that undoped films were highly stable in anatase phase, while the Nb doped films showed the composite nature with the weak presence of Niobium penta-oxide (Nb{sub 2}O{sub 5}) phase. The effect at low density of EEs in undoped film show partial anatase to rutile phase transformation; however doped film shows only further growth of Nb{sub 2}O{sub 5} phase beside the anatase to rutile phase transformation. At higher density of EEs induced by Ag ions, registered continuous ion track of ∼3 nm in lattice which leads to nano-crystallization followed by decomposition/amorphization of rutile TiO{sub 2} and Nb{sub 2}O{sub 5} phases in undoped and doped films, respectively. However, Ni ions are only induced discontinuous sequence of ion tracks with creation of damage and disorder and do not show amorphization in the lattice. The in-elastic thermal spike calculations were carried out for anatase TiO{sub 2} phase to understand the effect of EEs on anatase to rutile phase transformation followed by amorphization in NTO films in terms of continuous and discontinuous track formation by SHI irradiation.

Ion pressure and work function in an effusion experiment

International Nuclear Information System (INIS)

Nikitin, M.I.

1986-01-01

The relationship between ion flow and ion pressure is examined from the point of view of the existence of a plasma in an effusion chamber. It is shown that this relationship is nonlinear, and a method is described to calculate it for specific experimental conditions. An analysis is made of the dependence of ion pressure and the work function of the inside surface of the effusion chamber on the composition of the condensed or gas phase

A selective and sensitive method for quantitation of lysergic acid diethylamide (LSD) in whole blood by gas chromatography-ion trap tandem mass spectrometry.

Science.gov (United States)

Libong, Danielle; Bouchonnet, Stéphane; Ricordel, Ivan

2003-01-01

A gas chromatography-ion trap tandem mass spectrometry (GC-ion trap MS-MS) method for detection and quantitation of LSD in whole blood is presented. The sample preparation process, including a solid-phase extraction step with Bond Elut cartridges, was performed with 2 mL of whole blood. Eight microliters of the purified extract was injected with a cold on-column injection method. Positive chemical ionization was performed using acetonitrile as reagent gas; LSD was detected in the MS-MS mode. The chromatograms obtained from blood extracts showed the great selectivity of the method. GC-MS quantitation was performed using lysergic acid methylpropylamide as the internal standard. The response of the MS was linear for concentrations ranging from 0.02 ng/mL (detection threshold) to 10.0 ng/mL. Several parameters such as the choice of the capillary column, the choice of the internal standard and that of the ionization mode (positive CI vs. EI) were rationalized. Decomposition pathways under both ionization modes were studied. Within-day and between-day stability were evaluated.

Production and correlation of reactive oxygen and nitrogen species in gas- and liquid-phase generated by helium plasma jets under different pulse widths

Science.gov (United States)

Liu, Zhijie; Zhou, Chunxi; Liu, Dingxin; Xu, Dehui; Xia, Wenjie; Cui, Qingjie; Wang, Bingchuan; Kong, Michael G.

2018-01-01

In this paper, we present the effects of the pulse width (PW) on the plasma jet's discharge characteristics, particularly focusing on the production and correlation of the reactive oxygen and nitrogen species (RONS) in gas- and liquid-phase. It is found that the length of plasma jet plume first increases before the PW of 10 μs, then gradually decreases and finally almost remains unchanged beyond 150 μs. The plasma bullet disappears after the falling edge of the voltage pulse at low PW, while it terminates far ahead of the falling edge of voltage pulse at high PW. This is mainly attributed to accumulation of space charges that lead to weakening of the reduced electric field with an increase of PW from low to high. More important, it is found that the excited reactive species, the positive and negative ions from plasma jet, and the concentrations of NO2- and NO3- in deionized water exposed to plasma jet also display the first increasing and then decreasing change trend with increase of PW, while the concentration of H2O2 in water almost displays the linearly increasing trend. This mainly results from the formation of the H3O+ and HO2-, as well as their ion water clusters that can produce more OH radicals to be converted into H2O2, while the NO2- and NO3- in gas phase can transport into water and exist most stably in water. The water cluster formation at gas-liquid interface is an important key process that can affect the chemical nature and dose of aqueous RONS in water; this is beneficial for understanding how the RONS are formed in liquid-phase.

A low-cost non-intercepting beam current and phase monitor for heavy ions

International Nuclear Information System (INIS)

Bogaty, J.M.; Clifft, B.E.

1995-01-01

A low cost ion beam measurement system has been developed for use at ATLAS. The system provides nondestructive phase and intensity measurement of passing ion beam bunches by sensing their electric fields. Bunches traverse a short tubular electrode thereby inducing displacement currents. These currents are brought outside the vacuum jacket where a lumped inductance resonates electrode capacitance at one of the bunching harmonic frequencies. This configuration yields a basic sensitivity of a few hundred millivolts signal per microampere of beam current. Beam induced radiofrequency signals are summed against an offset frequency generated by the master oscillator. The resulting difference frequency conveys beam intensity and bunch phase information which is sent to separate processing channels. One channel utilizes a phase locked loop to stabilize phase readings during microsecond beam drop outs. The other channel uses a linear full-wave active rectifier circuit which converts sine wave signal amplitude to a DC voltage representing beam current. Plans are in progress to install this new diagnostic at several locations in ATLAS which should help shorten the tuning cycle of new ion species

Photoresponse of the protonated Schiff-base retinal chromophore in the gas phase

DEFF Research Database (Denmark)

Toker, Jonathan; Rahbek, Dennis Bo; Kiefer, H V

2013-01-01

The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse. The sel......The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse...... modifications of the chromophore. We propose that isomerizations play an important role in the photoresponse of gas-phase retinal chromophores and guide internal conversion through conical intersections. The role of protein interactions is then to control the specificity of the photoisomerization in the primary...

Diode Laser Raman Scattering Prototype Gas-Phase Environmental Monitoring

National Research Council Canada - National Science Library

Benner, Robert

1999-01-01

We proposed developing a diode-laser-based, full spectrum Raman scattering instrument incorporating a multipass, external cavity enhancement cell for full spectrum, gas phase analysis of environmental pollutants...

Br2 production from the heterogeneous reaction of gas-phase OH with aqueous salt solutions: Impacts of acidity, halide concentration, and organic surfactants.

Science.gov (United States)

Frinak, Elizabeth K; Abbatt, Jonathan P D

2006-09-07

This study reports the first laboratory measurement of gas-phase Br2 production from the reaction between gas-phase hydroxyl radicals and aqueous salt solutions. Experiments were conducted at 269 K in a rotating wetted-wall flow tube coupled to a chemical-ionization mass spectrometer for analysis of gas-phase components. From both pure NaBr solutions and mixed NaCl/NaBr solutions, the amount of Br2 released was found to increase with increasing acidity, whereas it was found to vary little with increasing concentration of bromide ions in the sample. For mixed NaCl/NaBr solutions, Br2 was formed preferentially over Cl2 unless the Br- levels in the solution were significantly depleted by OH oxidation, at which point Cl2 formation was observed. Presence of a surfactant in solution, sodium dodecyl sulfate, significantly suppressed the formation of Br2; this is the first indication that an organic surfactant can affect the rate of interfacial mass transfer of OH to an aqueous surface. The OH-mediated oxidation of bromide may serve as a source of active bromine in the troposphere and contribute to the subsequent destruction of ozone that proceeds in marine-influenced regions of the troposphere.

Ground-state phase diagram of an (S, S') = (1, 2) spin-alternating chain with competing single-ion anisotropies

International Nuclear Information System (INIS)

Tonegawa, T; Okamoto, K; Sakai, T; Kaburagi, M

2009-01-01

Employing various numerical methods, we determine the ground-state phase diagram of an (S, S') = (1, 2) spin-alternating chain with antiferromagnetic nearest-neighboring exchange interactions and uniaxial single-ion anisotropies. The resulting phase diagram consists of eight kinds of phases including two phases which accompany the spontaneous breaking of the translational symmetry and a ferrimagnetic phase in which the ground-state magnetization varies continuously with the uniaxial single-ion anisotropy constants for the S=1 and S =2 spins. The appearance of these three phases is attributed to the competition between the uniaxial single-ion anisotropies of both spins.

Transferability of polarizable models for ion-water electrostatic interaction

International Nuclear Information System (INIS)

Masia, Marco

2009-01-01

Studies of ion-water systems at condensed phase and at interfaces have pointed out that molecular and ionic polarization plays an important role for many phenomena ranging from hydrogen bond dynamics to water interfaces' structure. Classical and ab initio Molecular Dynamics simulations reveal that induced dipole moments at interfaces (e.g. air-water and water-protein) are usually high, hinting that polarizable models to be implemented in classical force fields should be very accurate in reproducing the electrostatic properties of the system. In this paper the electrostatic properties of three classical polarizable models for ion-water interaction are compared with ab initio results both at gas and condensed phase. For Li + - water and Cl - -water dimers the reproducibility of total dipole moments obtained with high level quantum chemical calculations is studied; for the same ions in liquid water, Car-Parrinello Molecular Dynamics simulations are used to compute the time evolution of ionic and molecular dipole moments, which are compared with the classical models. The PD2-H2O model developed by the author and coworkers [Masia et al. J. Chem. Phys. 2004, 121, 7362] together with the gaussian intermolecular damping for ion-water interaction [Masia et al. J. Chem. Phys. 2005, 123, 164505] showed to be the fittest in reproducing the ab initio results from gas to condensed phase, allowing for force field transferability.

A computational and spectroscopic study of the gas-phase conformers of adrenaline

Science.gov (United States)

Çarçabal, P.; Snoek, L. C.; van Mourik, T.

The conformational landscapes of the neurotransmitter l-adrenaline (l-epinephrine) and its diastereoisomer pseudo-adrenaline, isolated in the gas phase and un-protonated, have been investigated by using a combination of mass-selected ultraviolet and infrared holeburn spectroscopy, following laser desorption of the sample into a pulsed supersonic argon jet, and DFT and ab initio computation (at the B3LYP/6-31+G*, MP2/6-31+G* and MP2/aug-cc-pVDZ levels of theory). Both for adrenaline and its diastereoisomer, pseudo-adrenaline, one dominant molecular conformation, very similar to the one seen in noradrenaline, has been observed. It could be assigned to an extended side-chain structure (AG1a) stabilized by an OH → N intramolecular hydrogen bond. An intramolecular hydrogen bond is also formed between the neighbouring hydroxyl groups on the catechol ring. The presence of further conformers for both diastereoisomers could not be excluded, but overlapping electronic spectra and low ion signals prevented further assignments.

CASCADER: An M-chain gas-phase radionuclide transport and fate model

International Nuclear Information System (INIS)

Cawlfield, D.E.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

1993-09-01

Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or dispersion. Additionally during the transport of parent and daughter radionuclides in soil, radionuclide decay may occur. This version of CASCADER called CASCADR9 starts with the concepts presented in volumes one and three of this series. For a proper understanding of how the model works, the reader should read volume one first. Also presented in this volume is a set of realistic scenarios for buried sources of radon gas, and the input and output file structure for CASCADER9

CASCADER: An m-chain gas-phase radionuclide transport and fate model

International Nuclear Information System (INIS)

Cawlfield, D.E.; Been, K.B.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

1993-06-01

Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or diffusion. Furthermore, parent and daughter radionuclides may decay as they are transported in the soil. This is volume two to the CASCADER series, titled CASCADR8. It embodies the concepts presented in volume one of this series. To properly understand how the CASCADR8 model works, the reader should read volume one first. This volume presents the input and output file structure for CASCADR8, and a set of realistic scenarios for buried sources of radon gas

Numerical simulation for gas-liquid two-phase flow in pipe networks

International Nuclear Information System (INIS)

Li Xiaoyan; Kuang Bo; Zhou Guoliang; Xu Jijun

1998-01-01

The complex pipe network characters can not directly presented in single phase flow, gas-liquid two phase flow pressure drop and void rate change model. Apply fluid network theory and computer numerical simulation technology to phase flow pipe networks carried out simulate and compute. Simulate result shows that flow resistance distribution is non-linear in two phase pipe network

Fitting phase shifts to electron-ion elastic scattering measurements

International Nuclear Information System (INIS)

Per, M.C.; Dickinson, A.S.

2000-01-01

We have derived non-Coulomb phase shifts from measured differential cross sections for electron scattering by the ions Na + , Cs + , N 3+ , Ar 8+ and Xe 6+ at energies below the inelastic threshold. Values of the scaled squared deviation between the observed and fitted differential cross sections, χ 2 , for the best-fit phase shifts were typically in the range 3-6 per degree of freedom. Generally good agreement with experiment is obtained, except for wide-angle scattering by Ar 8+ and Xe 6+ . Current measurements do not define phase shifts to better than approx. 0.1 rad even in the most favourable circumstances and uncertainties can be much larger. (author)

Effect of noble gas ion pre-irradiation on deuterium retention in tungsten

NARCIS (Netherlands)

Cheng, L.; Zhao, Z. H.; De Temmerman, G.; Yuan, Y.; Morgan, T. W.; Guo, L. P.; Wang, B.; Zhang, Y.; Wang, B. Y.; Zhang, P.; Cao, X. Z.; Lu, G. H.

2016-01-01

Impurity seeding of noble gases is an effective way of decreasing the heat loads onto the divertor targets in fusion devices. To investigate the effect of noble gases on deuterium retention, tungsten targets have been implanted by different noble gas ions and subsequently exposed to deuterium