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Sample records for adsorbed explosive molecules

  1. Simulations of the Static Friction Due to Adsorbed Molecules

    OpenAIRE

    He, Gang; Robbins, Mark O.

    2001-01-01

    The static friction between crystalline surfaces separated by a molecularly thin layer of adsorbed molecules is calculated using molecular dynamics simulations. These molecules naturally lead to a finite static friction that is consistent with macroscopic friction laws. Crystalline alignment, sliding direction, and the number of adsorbed molecules are not controlled in most experiments and are shown to have little effect on the friction. Temperature, molecular geometry and interaction potenti...

  2. Hydrogen molecule on lithium adsorbed graphene: A DFT study

    International Nuclear Information System (INIS)

    Kaur, Gagandeep; Gupta, Shuchi; Gaganpreet; Dharamvir, Keya

    2016-01-01

    Electronic structure calculations for the adsorption of molecular hydrogen on lithium (Li) decorated and pristine graphene have been studied systematically using SIESTA code [1] within the framework of the first-principle DFT under the Perdew-Burke-Ernzerhof (PBE) form of the generalized gradient approximation (GGA)[2], including spin polarization. The energy of adsorption of hydrogen molecule on graphene is always enhanced by the presence of co-adsorbed lithium. The most efficient adsorption configuration is when H 2 is lying parallel to lithium adsorbed graphene which is in contrast to its adsorption on pristine graphene (PG) where it prefers perpendicular orientation.

  3. Scattering of atoms by molecules adsorbed at solid surfaces

    International Nuclear Information System (INIS)

    Parra, Zaida.

    1988-01-01

    The formalism of collisional time-correlation functions, appropriate for scattering by many-body targets, is implemented to study energy transfer in the scattering of atoms and ions from molecules adsorbed on metal surfaces. Double differential cross-sections for the energy and angular distributions of atoms and ions scattered by a molecule adsorbed on a metal surface are derived in the limit of impulsive collisions and within a statistical model that accounts for single and double collisions. They are found to be given by the product of an effective cross-section that accounts for the probability of deflection into a solid angle times a probability per unit energy transfer. A cluster model is introduced for the vibrations of an adsorbed molecule which includes the molecular atoms, the surface atoms binding the molecule, and their nearest neighbors. The vibrational modes of CO adsorbed on a Ni(001) metal surface are obtained using two different cluster models to represent the on-top and bridge-bonding situations. A He/OC-Ni(001) potential is constructed from a strongly repulsive potential of He interacting with the oxygen atom in the CO molecule and a van der Waals attraction accounting for the He interaction with the free Ni(001) surface. A potential is presented for the Li + /OC-Ni(001) where a coulombic term is introduced to account for the image force. Trajectory studies are performed and analyzed in three dimensions to obtain effective classical cross-sections for the He/OC-Ni(001) and Li + /OC-Ni(001) systems. Results for the double differential cross-sections are presented as functions of scattering angles, energy transfer and collisional energy. Temperature dependence results are also analyzed. Extensions of the approach and inclusion of effects such as anharmonicity, collisions at lower energies, and applications of the approach to higher coverages are discussed

  4. The structure of small molecules with the Coulomb Explosion method

    International Nuclear Information System (INIS)

    Vager, Z.; Kanter, E.P.

    1987-01-01

    The content of this paper is divided into two parts: (1) achievements of the last two years in studying molecular ion structure with the aid of the newly developed Coulomb-Explosion (CE) method, and (2) the understanding of the modern CE data in terms of an invariant density of nuclear coordinates of the studied molecule

  5. Scattering and stopping of swift diatomic molecules under Coulomb explosion

    International Nuclear Information System (INIS)

    Sigmund, P.

    1992-01-01

    The scattering and stopping of the fragments of a fast diatomic molecule under Coulomb explosion has been analysed theoretically. The central assumption in the scheme is the dominance of Coulomb explosion, while electronic stopping (including wake forces) and elastic scattering are treated as perturbations. Charge exchange has been neglected. Coulomb images of penetration phenomena are heavily distorted. For small penetrated layer thicknesses, images appear contracted in the direction of the molecular axis, and expanded perpendicular to it. This distortion is described quantitatively by a linear transformation. General expressions have been derived for the effect of continuous and stochastic forces on the distribution of fragment velocities from Coulomb explosion (the ''ring pattern''). Moreover, relations have been found that allow to scale velocity distributions valid in the absence of Coulomb explosion into distributions allowing for Coulomb explosion. Applications concern the shift in ring pattern due to electronic stopping, the lateral broadening due to multiple scattering, and the effect of zero-point motion on the Coulomb image of a molecule. (orig.)

  6. Scattering and stopping of swift diatomic molecules under Coulomb explosion

    International Nuclear Information System (INIS)

    Sigmund, P.

    1991-01-01

    The scattering and stopping of the fragments of a fast diatomic molecule under Coulomb explosion has been analyzed theoretically. The central assumption in the scheme is the dominance of Coulomb explosion, while electronic stopping (including wake forces) and elastic scattering are treated as perturbations. Charge exchange has been neglected. Coulomb images of penetration phenomena are heavily distorted. For small penetrated layer thicknesses, images appear contracted in the direction of the molecular axis, and expanded perpendicular to it. This distortion is described quantitatively by a linear transformation. General expressions have been derived for the effect of continuous and stochastic forces on the distribution of fragment velocities from Coulomb explosion (the ''ring pattern''). Moreover, relations have been found that allow to scale velocity distributions valid in the absence of Coulomb explosion into distributions allowing for Coulomb explosion. Applications concern the shift in ring pattern due to electronic stopping, the lateral broadening due to multiple scattering and the effect of zero-point motion on the Coulomb image of a molecule. 14 refs., 5 figs

  7. Ag-ZnO nanostructure for ANTA explosive molecule detection

    Energy Technology Data Exchange (ETDEWEB)

    Shaik, Ummar Pasha [Advanced Center of Research in High Energy Materials, University of Hyderabad, Hyderabad 500046 (India); Sangani, L. D. Varma [Centre for Advanced Studies in Electronics Science and Technology, School of Physics, University of Hyderabad (India); Gaur, Anshu [Department of Industrial Engineering, University of Trento, Via Sommarive9, Trento (Italy); Mohiddon, Md. Ahamad, E-mail: ahamed.vza@gmail.com [National Institute of Technology Andhra Pradesh, Tadepalliguem 534101, AP, India Phone : (+) 91-40-23134382, FAX: (+) 91-40-23010227 (India); Krishna, M. Ghanashyam [Advanced Center of Research in High Energy Materials, University of Hyderabad, Hyderabad 500046 (India); Centre for Advanced Studies in Electronics Science and Technology, School of Physics, University of Hyderabad (India); National Institute of Technology Andhra Pradesh, Tadepalliguem 534101, AP, India Phone : (+) 91-40-23134382, FAX: (+) 91-40-23010227 (India)

    2016-05-23

    Ag/ZnO nanostructure for surface enhanced Raman scattering application in the detection of ANTA explosive molecule is demonstrated. A highly rough ZnO microstructure was achieved by rapid thermal annealing of metallic Zn film. Different thickness Ag nanostructures are decorated over these ZnO microstructures by ion beam sputtering technique. Surface enhanced Raman spectroscopic studies carried out over Ag/ZnO substrates have shown three orders higher enhancement compared to bare Ag nanostructure deposited on the same substrate. The reasons behind such huge enhancement are discussed based on the morphology of the sample.

  8. Core Level Spectra of Organic Molecules Adsorbed on Graphene

    Directory of Open Access Journals (Sweden)

    Abhilash Ravikumar

    2018-03-01

    Full Text Available We perform first principle calculations based on density functional theory to investigate the effect of the adsorption of core-excited organic molecules on graphene. We simulate Near Edge X-ray absorption Fine Structure (NEXAFS and X-ray Photoemission Spectroscopy (XPS at the N and C edges for two moieties: pyridine and the pyridine radical on graphene, which exemplify two different adsorption characters. The modifications of molecular and graphene energy levels due to their interplay with the core-level excitation are discussed. We find that upon physisorption of pyridine, the binding energies of graphene close to the adsorption site reduce mildly, and the NEXAFS spectra of the molecule and graphene resemble those of gas phase pyridine and pristine graphene, respectively. However, the chemisorption of the pyridine radical is found to significantly alter these core excited spectra. The C 1s binding energy of the C atom of graphene participating in chemisorption increases by ∼1 eV, and the C atoms of graphene alternate to the adsorption site show a reduction in the binding energy. Analogously, these C atoms also show strong modifications in the NEXAFS spectra. The NEXAFS spectrum of the chemisorbed molecule is also modified as a result of hybridization with and screening by graphene. We eventually explore the electronic properties and magnetism of the system as a core-level excitation is adiabatically switched on.

  9. Vibrational properties of water molecules adsorbed in different zeolitic frameworks

    International Nuclear Information System (INIS)

    Crupi, V; Longo, F; Majolino, D; Venuti, V

    2006-01-01

    The perturbation of water 'sorbed' in samples of zeolites of different structural type, genesis, and cation composition (K-, Na-, Mg- and Ca-rich zeolites), namely the CHA framework of a synthetic K-chabazite, the LTA framework of synthetic Na-A and Mg50-A zeolites, and the NAT framework of a natural scolecite, has been studied by FTIR-ATR spectroscopy, in the -10 to +80 o C temperature range. The aim was to show how differences in the chemical composition and/or in the topology of the zeolite framework and, in particular, the possibility for the guest water molecules to develop guest-guest and/or host-guest interactions, lead to substantial differences in their vibrational dynamical properties. The spectra, collected in the O-H stretching and H 2 O bending mode regions, are complex, with multiple bands being observed. As far as water in the CHA and LTA frameworks is concerned, whose behaviour is governed by the balance of water-water, water-framework and water-extra-framework cations interactions, the assignment of the resolved components of the O-H stretching band has been discussed by fitting the band shapes into individual components attributed to H 2 O molecules engaged in different degrees of hydrogen bonding. A detailed quantitative picture of the connectivity pattern of water, as a function of temperature and according to the chemical and topological properties of the environment, is furnished. The H 2 O bending vibrational bands give additional information that perfectly agrees with the results obtained from the analysis of the O-H stretching spectral region. In the case of scolecite, a small-pored zeolite where water-water interactions are eliminated, the increased complexity observed in the infrared spectra in the O-H stretching and H 2 O bending regions was explained as due to the hydrogen bonding between the water molecules and the network, and also with the extra-framework cation. Furthermore, these observations have been correlated with the different

  10. Nanospectroscopy of thiacyanine dye molecules adsorbed on silver nanoparticle clusters

    Science.gov (United States)

    Ralević, Uroš; Isić, Goran; Anicijević, Dragana Vasić; Laban, Bojana; Bogdanović, Una; Lazović, Vladimir M.; Vodnik, Vesna; Gajić, Radoš

    2018-03-01

    The adsorption of thiacyanine dye molecules on citrate-stabilized silver nanoparticle clusters drop-cast onto freshly cleaved mica or highly oriented pyrolytic graphite surfaces is examined using colocalized surface-enhanced Raman spectroscopy and atomic force microscopy. The incidence of dye Raman signatures in photoluminescence hotspots identified around nanoparticle clusters is considered for both citrate- and borate-capped silver nanoparticles and found to be substantially lower in the former case, suggesting that the citrate anions impede the efficient dye adsorption. Rigorous numerical simulations of light scattering on random nanoparticle clusters are used for estimating the electromagnetic enhancement and elucidating the hotspot formation mechanism. The majority of the enhanced Raman signal, estimated to be more than 90%, is found to originate from the nanogaps between adjacent nanoparticles in the cluster, regardless of the cluster size and geometry.

  11. Mechanism of melting in submonolayer films of nitrogen molecules adsorbed on the basal planes of graphite

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Bruch, Ludwig Walter; Taub, H.

    1995-01-01

    The melting mechanism in submonolayer films of N-2 molecules adsorbed on the basal planes of graphite is studied using molecular-dynamics simulations. The melting is strongly correlated with the formation of vacancies in the films. As the temperature increases, the edges of the submonolayer patch...

  12. Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer

    Energy Technology Data Exchange (ETDEWEB)

    Katoch, Neha, E-mail: nehakatoch2@gmail.com; Kapoor, Pooja; Sharma, Munish; Ahluwalia, P. K. [Physics Department, Himachal Pradesh University, Shimla, Himachal Pradesh, India 171005 (India); Kumar, Ashok [Center for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, India, 151001 (India)

    2016-05-23

    We report stability and electronic properties of benzene molecule adsorbed on the Au atomic layer within the framework of density function theory (DFT). Horizontal configuration of benzene on the top site of Au monolayer prefers energetically over other studied configurations. On the adsorption of benzene, the ballistic conductance of Au monolayer is found to decrease from 4G{sub 0} to 2G{sub 0} suggesting its applications for the fabrications of organic sensor devices based on the Au atomic layers.

  13. Functionalisation of the hinge region in receptor molecules for explosive detection

    DEFF Research Database (Denmark)

    Krebs, Frederik C

    2003-01-01

    The functionalisation of the hinge region in a molecular tweezer molecule showing a strong binding to explosives is presented. Two versatile functional groups are introduced, a carboxylic acid and a bromine atom. (C) 2003 Elsevier Ltd. All rights reserved....

  14. Controlled enzymatic cutting of DNA molecules adsorbed on surfaces using soft lithography

    Science.gov (United States)

    Auerbach, Alyssa; Budassi, Julia; Shea, Emily; Zhu, Ke; Sokolov, Jonathan

    2013-03-01

    The enzyme DNase I was applied to adsorbed and aligned DNA molecules (Lamda, 48.5 kilobase pairs (kbp), and T4, 165.6 kbp), stretched linearly on a surface, by stamping with a polydimethylsiloxane (PDMS) grating. The DNAs were cut by the enzyme into separated, micron-sized segments along the length of the molecules at positions determined by the grating dimensions (3-20 microns). Ozone-treated PDMS stamps were coated with DNase I solutions and placed in contact with surface-adsorbed DNA molecules deposited on a 750 polymethylmethacrylate (PMMA) film spun-cast onto a silicon substrate. The stamps were applied under pressure for times up to 15 minutes at 37 C. The cutting was observed by fluorescence microscopy imaging of DNA labeled with YOYO dye. Cutting was found to be efficient despite the steric hindrance due to surface attachment of the molecules. Methods for detaching and separating the cut segments for sequencing applications will be discussed. Supported by NSF-DMR program.

  15. Thermodynamic characteristics of the adsorption of organic molecules on modified MCM-41 adsorbents

    Science.gov (United States)

    Gus'kov, V. Yu.; Sukhareva, D. A.; Salikhova, G. R.; Karpov, S. I.; Kudasheva, F. Kh.; Roessner, F.; Borodina, E. V.

    2017-07-01

    The adsorption of a number of organic molecules on samples of MCM-41 adsorbent modified with dichloromethylphenylsilane and subsequently treated with sulfuric acid (MDCS) and N-trimethoxysilylpropyl- N, N, N-trimethylammonium chloride (MNM) is studied. Specific retention volumes equal to the Henry constant are determined by means of inverse gas chromatography at infinite dilution. The thermodynamic characteristics of adsorption, the dispersive and specific components of the Helmholtz energy of adsorption, and the increment of the methyl group to the heat of adsorption are calculated. It is shown that the grafting of aminosilane and phenylsilane groups enhances the forces of dispersion and reduces specific interactions. A greater drop in polarity is observed for MDCS than for MNM, due to the stronger polarity of amoinosilane; the enthalpy factor makes the main contribution to the adsorption of organic compounds on the investigated adsorbents. It is found that the MNM sample is capable of the irreversible adsorption of alcohols.

  16. In situ STM imaging of the structures of pentacene molecules adsorbed on Au(111).

    Science.gov (United States)

    Pong, Ifan; Yau, Shuehlin; Huang, Peng-Yi; Chen, Ming-Chou; Hu, Tarng-Shiang; Yang, Yawchia; Lee, Yuh-Lang

    2009-09-01

    In situ scanning tunneling microscope (STM) was used to examine the spatial structures of pentacene molecules adsorbed onto a Au(111) single-crystal electrode from a benzene dosing solution containing 16-400 microM pentacene. Molecular-resolution STM imaging conducted in 0.1 M HClO(4) revealed highly ordered pentacene structures of ( radical31 x radical31)R8.9 degrees , (3 x 10), ( radical31 x 10), and ( radical7 x 2 radical7)R19.1 degrees adsorbed on the reconstructed Au(111) electrode dosed with different pentacene solutions. These pentacene structures and the reconstructed Au(111) substrate were stable between 0.2 and 0.8 V [vs reversible hydrogen electrode, RHE]. Increasing the potential to E > 0.8 V lifted the reconstructed Au(111) surface and disrupted the ordered pentacene adlattices simultaneously. Ordered pentacene structures could be restored by applying potentials negative enough to reinforce the reconstructed Au(111). At potentials negative of 0.2 V, the adsorption of protons became increasingly important to displace adsorbed pentacene admolecules. Although the reconstructed Au(111) structure was not essential to produce ordered pentacene adlayers, it seemed to help the adsorption of pentacene molecules in a long-range ordered pattern. At room temperature (25 degrees C), approximately 100 pentacene molecules seen in STM images could rotate and align themselves to a neighboring domain in 10 s, suggesting that pentacene admolecules could be mobile on Au(111) under the STM imaging conditions of -150 mV in bias voltage and 1 nA in feedback current.

  17. Coincidence imaging of polyatomic molecules via laser-induced Coulomb explosion

    International Nuclear Information System (INIS)

    Gagnon, J; Corkum, P B; Bhardwaj, V R; Lee, Kevin F; Rayner, D M

    2008-01-01

    We extend laser-induced Coulomb explosion imaging to retrieve the structure of the five-atom dichloromethane (CH 2 Cl 2 ) molecule by developing coincidence imaging and geometry optimization techniques. By detecting all five atoms in coincidence, we show that, from the measured velocity vectors, the geometry of the molecules can be reconstructed.

  18. Spins of adsorbed molecules investigated by the detection of Kondo resonance

    Science.gov (United States)

    Komeda, Tadahiro

    2014-12-01

    Surface magnetism has been one of the platforms to explore the magnetism in low dimensions. It is also a key component for the development of quantum information processes, which utilizes the spin degree of freedom. The Kondo resonance is a phenomenon that is caused by an interaction between an isolated spin and conduction electrons. First observed in the 1930s as an anomalous increase in the low-temperature resistance of metals embedded with magnetic atoms, the Kondo physics mainly studied the effects of bulk magnetic impurities in the resistivity. In the last 15 years it has undergone a revival by a scanning tunneling microscope (STM) which enables the measurement of the Kondo resonance at surfaces using an atomic scale point contact. The detection of the Kondo resonance can be a powerful tool to explore surface magnetism. In this article, I review recent studies of the surface spin of adsorbed molecules by the detection of the Kondo resonance. Researches on metal phthalocyanine (MPc) and porphyrin molecules will be examined. In addition, the Kondo resonance for double-decker lanthanoide Pc molecules will be discussed. Some of the double-decker Pc molecules show single-molecule magnet (SMM) behavior, which attracts attention as a material for electronic devices. For both classes, the ligand plays a crucial role in determining the parameters of the Kondo resonance, such as the Kondo temperature and the change of the shape from peak to Fano-dip. In addition, the spin in delocalized molecular orbital forms the Kondo resonance, which shows significant differences from the Kondo resonance formed by the metal spins. Since molecular orbital can be tuned in a flexible manner by the design of the molecule, the Kondo resonance formed by delocalized molecular orbital might expand the knowledge of this field.

  19. High resolution spectroscopy on adsorbed molecules on a Ni (110)-surface: vibrational states and electronic levels

    International Nuclear Information System (INIS)

    Kardinal, I.

    1998-01-01

    The complementary techniques of HR-XPS and HREELS have been applied to two distinct problems. The first studies adsorption and dissociation of C 2 N 2 on Ni (110) at room temperature (RT) and at 90 K and its co-adsorption with CO. At RT C 2 N 2 dissociates and forms a c(2x2)-CN structure. The resulting CN is found to be bound in the grooves of the (110) surface yielding the lowest C-N vibrational energy yet observed. C 2 N 2 was found to dissociate even at 90 K however the resulting CN overlayer after warming to RT showed remarkable differences to that of the RT adsorption. As well as the in-groove species a number of adsorption sites on the ridges with a bond order higher have been identified. Preadsorbed CO is completely driven of the Ni (110) surface by co-adsorption of CN at RT. HREELS indicates that first CO is desorbed from the on-top-sites and then from the bridge-sites of the (110)-ridges involving a considerable increase of the HREELS cross section for the CO on the bridge-sites. Also the signal intensity of the coadsorbed CN is suppressed by the CO present on the surface. The second study investigated the adsorption of bithiophene (BiT) on clean Ni (110) and the S-modified c(2x2)-S-Ni (110) and p(4x1)-S-Ni (110). The latter provided a strongly structured substrate which forced the assembly of the adsorbed BiT-molecules. The high degree of order of this adsorbate/substrate system was obvious in both the HR-XPS results and the BREELS results with strong azimuthal anisotropy. This system was used to asses the ability to use the HREELS impact selection rules to determine molecular orientation of a reasonably complex adsorbate overlayer. (author)

  20. First-principles study of pollutant molecules absorbed on polymeric adsorbents using the vdW-DF2 functional

    Science.gov (United States)

    Zhu, Jinguo; Wang, Yapeng; Tian, Ting; Zhang, Qianfan

    2018-03-01

    Polymeric adsorbents have been attracting increasing attention because of their favorable structrual properties and effectiveness of solving small molecules contaminants. However, due to the absence of deep insight into the adsorption mechanism of polymeric adsorbents, researches on new polymeric adsorbents can only be carried out by repeated experiments and tests, which is extremely inefficient. Therefore, investigating the adsorption process of polymeric adsorbents, especially the mechanism of adsorbing various air pollutant molecules by materials modelling and simulation, is of great significance. Here in this work, we systematically studied the adsorption mechanism by first-principles computation with van der Waals interaction. It demonstrates that the adsorption between them was pure physisorption originating from the hydrogen bond and intermolecular forces consisting of Keesom force, Debye force and London dispersion force. The proportions of these forces varied according to different adsorption systems. The adsorption effects were determined by the polymers’ dipole moment and polarizability. The adsorption performance of some polymers with special structures was also investigated to explore their possibility as potential adsorbents. The results of our simulation can provide some guidance for developing new polymeric adsorbents with better performance.

  1. Electronic structures of spinterface for thiophene molecule adsorbed at Co, Fe, and Ni electrode: First principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Linlin; Tian, Yanli; Yuan, Xiaobo; Hu, Guichao; Ren, Junfeng, E-mail: renjf@sdnu.edu.cn

    2016-12-15

    Highlights: • Thiophene molecule could be spin polarized when adsorbed at Co(001), Fe(100), and Ni(111) surfaces. • The biggest spin polarization will be obtained when the thiophene molecule adsorbed at the Fe(100) surface. • The spin polarization is originated from the interfacial orbital hybridizations between the 3d orbital of ferromagnetic electrodes and the 2p orbital of the thiophene molecule. - Abstract: First principles calculations are adopted to study the spin polarization properties of thiophene molecule which adsorbed at the Co, Fe, and Ni electrode surfaces. The density of states, spin-polarized density distributions as well as the differential charge density distributions are obtained. It is found that the p orbital of the thiophene molecule will interact with the d orbital of the ferromagnetic electrodes, which will generate new spin coupling states and lead to obvious spin polarization in the thiophene molecule. Different electrodes induce different spin polarization properties, and in which the Fe electrode will bring the biggest spin polarization of the thiophene molecule. People can selectively and efficiently inject spin polarized electrons into molecules by choosing suitable ferromagnetic electrodes in organic spintronic devices.

  2. Resonance energy transfer from solid to adsorbed molecules under radiolysis of the N2O-MgO system

    International Nuclear Information System (INIS)

    Volkov, A.I.

    1986-01-01

    The radiolysis mechanism of nitrous oxide adsorbed on magnesia has been studied at 77 K using e.s.r. spectroscopy and chromatography. The radiative decomposition of nitrous oxide is shown to take place not only during the dissociative capture of electrons, but also during the interaction of its molecules with magnesia exitons. At a monolayer coverage theta 2 O molecules and exitons to a molecular one as a result of raising the irradiation temperature of nitrous oxide adsorbed on magnesia (theta=0.5) has been revealed. (author)

  3. Electron stereodynamics in coulomb explosion of molecules by slow highly charged ions

    International Nuclear Information System (INIS)

    Ichimura, Atsushi; Ohyama-Yamaguchi, Tomoko

    2008-01-01

    The three-center Coulombic over-the-barrier model is developed for Coulomb explosion of a homonuclear diatomic molecule in collisions with a slow (∼10 eV/amu) highly charged ion. A conventional two-step picture of multiple electron transfer followed by Coulomb explosion is far from appropriate because the molecule sets out to dissociate before the incident ion approaches the closest distance. We treat the formation of a quasi-molecule and its decay into the three moving atomic ions. Charge-asymmetric population between fragment ions observed in a triple-coincidence measurement is suggested to reflect the bond elongation during a collision. Collisions of Kr 8+ + N 2 are analyzed. (author)

  4. Scaling laws governing the multiple scattering of diatomic molecules under Coulomb explosion

    International Nuclear Information System (INIS)

    Sigmund, P.

    1992-01-01

    The trajectories of fast molecules during and after penetration through foils are governed by Coulomb explosion and distorted by multiple scattering and other penetration phenomena. A scattering event may cause the energy available for Coulomb explosion to increase or decrease, and angular momentum may be transferred to the molecule. Because of continuing Coulomb explosion inside and outside the target foil, the transmission pattern recorded at a detector far away from the target is not just a linear superposition of Coulomb explosion and multiple scattering. The velocity distribution of an initially monochromatic and well-collimated, but randomly oriented, beam of molecular ions is governed by a generalization of the standard Bothe-Landau integral that governs the multiple scattering of atomic ions. Emphasis has been laid on the distribution in relative velocity and, in particular, relative energy. The statistical distributions governing the longitudinal motion (i.e., the relative motion along the molecular axis) and the rotational motion can be scaled into standard multiple-scattering distributions of atomic ions. The two scaling laws are very different. For thin target foils, the significance of rotational energy transfer is enhanced by an order of magnitude compared to switched-off Coulomb explosion. A distribution for the total relative energy (i.e., longitudinal plus rotational motion) has also been found, but its scaling behavior is more complex. Explicit examples given for all three distributions refer to power-law scattering. As a first approximation, scattering events undergone by the two atoms in the molecule were assumed uncorrelated. A separate section has been devoted to an estimate of the effect of impact-parameter correlation on the multiple scattering of penetrating molecules

  5. Nuclear magnetic resonance study of the structure of simple molecules adsorbed on metal surfaces: acetylene on platinum

    International Nuclear Information System (INIS)

    Wang, P.K.

    1984-01-01

    We have used NMR to determine the structure of acetylene (HC - CH) adsorbed at room temperature on small platinum particles by studying the 13 C- 13 C, 13 C- 1 H, and 1 H- 1 H dipolar interactions among the nuclei in the adsorbed molecules. We find a model of 77% CCH 2 and 23% HCCH to be the only one consistent with all of our data. The C-C bond length of the majority species, CCH 2 , is determined as 1.44 +- 0.02 A, midway between a single and double bond, suggesting that both carbon atoms bond to the surface. 36 references, 29 figures, 1 table

  6. Direct comparison of the electronic coupling efficiency of sulfur and selenium alligator clips for molecules adsorbed onto gold electrodes

    International Nuclear Information System (INIS)

    Patrone, L.; Palacin, S.; Bourgoin, J.P.

    2003-01-01

    Scanning tunneling microscopy experiments have been performed to compare the electronic coupling provided by S and by Se used as alligator clips for bisthiol- and biselenol-terthiophene molecules adsorbed onto gold. The molecules were inserted in a dodecanethiol (DT) self-assembled monolayer. Their apparent height above the dodecanethiol matrix was used as a measure of the electronic coupling strength corresponding to S and Se, respectively. We show that the insertion behaviors of the two molecules are qualitatively the same, and that Se provides systematically a better coupling link than S, whatever the tunneling conditions

  7. Micro-differential thermal analysis detection of adsorbed explosive molecules using microfabricated bridges

    DEFF Research Database (Denmark)

    Senesac, Larry R.; Yi, Dechang; Greve, Anders

    2009-01-01

    Although micromechanical sensors enable chemical vapor sensing with unprecedented sensitivity using variations in mass and stress, obtaining chemical selectivity using the micromechanical response still remains as a crucial challenge. Chemoselectivity in vapor detection using immobilized selective...... layers that rely on weak chemical interactions provides only partial selectivity. Here we show that the very low thermal mass of micromechanical sensors can be used to produce unique responses that can be used for achieving chemical selectivity without losing sensitivity or reversibility. We demonstrate...

  8. NMR diffusion and relaxation measurements of organic molecules adsorbed in porous media

    International Nuclear Information System (INIS)

    Gjerdaaker, Lars

    2002-01-01

    a bipolar form of the pulsed field gradient has proved to be an efficient method for both reducing the cross-term between the applied and internal gradient and reducing the eddy current dead time. Without the use of a bipolar sequence, the measured diffusivities are likely to be underestimated. In order to get sufficient attenuation of the signal a stimulated-echo sequence together with magnetic field gradients have been used. It was then possible to increase the z-storage period to compensate for insufficient gradient strength. However, the employed diffusion probe and gradient power supply are able to generate magnetic field gradients that make the z-storage period unnecessary. In this work we also present a spin-echo analogue to the 13-interval PFGSTE sequence presented by Cotts et al., a so-called 11-interval bipolar PFGSE sequence. Conclusions: The molecular dynamics of four organic adsorbates confined in porous materials have been investigated. The confinement gives rise to substantial changes in the phase behaviour and molecular dynamics. From the line shape of the confined substances a narrow-line component superimposed on a broad resonance is observed at temperatures well below the transition point of the bulk material. This narrow-line component is, in the freezing region, attributed to the surface layer and the undercooled liquid in the smaller pores that remains unfrozen. In the low-temperature region, the narrow-line component corresponds to the surface layer, while the broad component originates from the crystalline phase at the centre of the pores. The persistent surface layer does not appear to crystallize at all, and a relatively high diffusion rate of this liquid-like phase is observed over a wide temperature range, even well below the transition point of the bulk material. However, with decreasing temperature T2 of the molecules in the surface layer becomes shorter and the contribution to the NMR signal decreases gradually. For pivalic acid and

  9. Total internal reflection sum-frequency generation spectroscopy and dense gold nanoparticles monolayer: a route for probing adsorbed molecules

    International Nuclear Information System (INIS)

    Tourillon, Gerard; Dreesen, Laurent; Volcke, Cedric; Sartenaer, Yannick; Thiry, Paul A; Peremans, Andre

    2007-01-01

    We show that sum-frequency generation spectroscopy performed in the total internal reflection configuration (TIR-SFG) combined with a dense gold nanoparticles monolayer allows us to study, with an excellent signal to noise ratio and high signal to background ratio, the conformation of adsorbed molecules. Dodecanethiol (DDT) was used as probe molecules in order to assess the potentialities of the approach. An enhancement of more than one order of magnitude of the SFG signals arising from the adsorbed species is observed with the TIR geometry compared to the external reflection one while the SFG non-resonant contribution remains the same for both configurations. Although further work is required to fully understand the origin of the SFG process on nanoparticles, our work opens new possibilities for studying nanostructures

  10. Preparation of theoretical scanning tunneling microscope images of adsorbed molecules: a theoretical study of benzene on the Cu(110) surface

    International Nuclear Information System (INIS)

    Shapter, J.G.; Rogers, B.L.; Ford, M.J.

    2003-01-01

    Full text: Since its development in 1982, the Scanning Tunneling Microscope (STM) has developed into a powerful tool for the study of surfaces and adsorbates. However, the utility of the technique can be further enhanced through the development of techniques for generating theoretical STM images. This is particularly true when studying molecules adsorbed on a substrate, as the results are often interpreted superficially due to an inadequate understanding of the orbital overlap probed in the experiment. A method of preparing theoretical scanning tunneling microscope (STM) images using comparatively inexpensive desktop computers and the commercially available CRYSTAL98 package is presented through a study of benzene adsorbed on the Cu(110) surface. Density Functional Theory (DFT) and Hartree-Fock (HF) methods are used to model clean Cu(110) slabs of various thicknesses and to simulate the adsorption of benzene onto these slabs. Eight possible orientations of benzene on the Cu(110) surface are proposed, and the optimum orientation according to the calculations is presented. Theoretical STM images of the Cu(110) surface and benzene adsorbed on the Cu(110) surface are compared with experimental STM images of the system from a published study. Significant differences are observed and are examined in detail

  11. Nonadiabatic effects on surfaces: Kohn anomaly, electronic damping of adsorbate vibrations, and local heating of single molecules

    International Nuclear Information System (INIS)

    Kroeger, J

    2008-01-01

    Three aspects of electron-phonon coupling at metal surfaces are reviewed. One aspect is the Kohn effect, which describes an anomalous dispersion relation of surface phonons due to quasi-one-dimensional nesting of Fermi surface contours. The combination of electron energy loss spectroscopy and angle-resolved photoelectron spectroscopy allows us to unambiguously characterize Kohn anomaly systems. A second aspect is the nonadiabatic damping of adsorbate vibrations. Characteristic spectroscopic line shapes of vibrational modes allow us to estimate the amount of energy transfer between the vibrational mode and electron-hole pairs. Case studies of a Kohn anomaly and nonadiabatic damping are provided by the hydrogen- and deuterium-covered Mo(110) surface. As a third aspect of interaction between electrons and phonons, local heating of a C 60 molecule adsorbed on Cu(100) and in contact with the tip of a scanning tunnelling microscope is covered

  12. How to determine the handedness of single molecules using Coulomb explosion imaging

    International Nuclear Information System (INIS)

    Pitzer, Martin

    2017-01-01

    This tutorial is based on a doctoral thesis that was shortlisted for the 2016 AMOP dissertation prize of the German Physical Society (DPG). The principal achievement of the thesis was to use Coulomb explosion imaging (CEI) to determine the microscopic handedness (‘chirality’) of molecular structures on a single-molecule level. It thus shows how a technique developed in atomic physics can address a long-standing problem in chemistry. Owing to these disparate backgrounds, the tutorial has two facets: on the one hand, the history of molecular chirality and recent developments are very briefly reviewed. On the other hand, an account is given of different experimental approaches to CEI, on the physical processes in light-induced Coulomb explosion and—most importantly—on the aspects that are relevant when designing and performing such an experiment. As structural chirality occurs only in polyatomic molecules, special attention will be given to multiple ionization and multi-coincidence measurements. A short discussion of the results presented in earlier papers is given, followed by an outlook on experiments that are under way or can realistically be performed within the next years. (phd tutorial)

  13. Heat capacity measurements of atoms and molecules adsorbed on evaporated metal films

    International Nuclear Information System (INIS)

    Kenny, T.W.

    1989-05-01

    Investigations of the properties of absorbed monolayers have received great experimental and theoretical attention recently, both because of the importance of surface processes in practical applications such as catalysis, and the importance of such systems to the understanding of the fundamentals of thermodynamics in two dimensions. We have adapted the composite bolometer technology to the construction of microcalorimeters. For these calorimeters, the adsorption substrate is an evaporated film deposited on one surface of an optically polished sapphire wafer. This approach has allowed us to make the first measurements of the heat capacity of submonolayer films of 4 He adsorbed on metallic films. In contrast to measurements of 4 He adsorbed on all other insulating substrates, we have shown that 4 He on silver films occupies a two-dimensional gas phase over a broad range of coverages and temperatures. Our apparatus has been used to study the heat capacity of Indium flakes. CO multilayers, 4 He adsorbed on sapphire and on Ag films and H 2 adsorbed on Ag films. The results are compared with appropriate theories. 68 refs., 19 figs

  14. Sensitivity of photoelectron diffraction to conformational changes of adsorbed molecules: Tetra-tert-butyl-azobenzene/Au(111

    Directory of Open Access Journals (Sweden)

    A. Schuler

    2017-01-01

    Full Text Available Electron diffraction is a standard tool to investigate the atomic structure of surfaces, interfaces, and adsorbate systems. In particular, photoelectron diffraction is a promising candidate for real-time studies of structural dynamics combining the ultimate time resolution of optical pulses and the high scattering cross-sections for electrons. In view of future time-resolved experiments from molecular layers, we studied the sensitivity of photoelectron diffraction to conformational changes of only a small fraction of molecules in a monolayer adsorbed on a metallic substrate. 3,3′,5,5′-tetra-tert-butyl-azobenzene served as test case. This molecule can be switched between two isomers, trans and cis, by absorption of ultraviolet light. X-ray photoelectron diffraction patterns were recorded from tetra-tert-butyl-azobenzene/Au(111 in thermal equilibrium at room temperature and compared to patterns taken in the photostationary state obtained by exposing the surface to radiation from a high-intensity helium discharge lamp. Difference patterns were simulated by means of multiple-scattering calculations, which allowed us to determine the fraction of molecules that underwent isomerization.

  15. The metrics of surface adsorbed small molecules on the Young's fringe dual-slab waveguide interferometer

    International Nuclear Information System (INIS)

    Cross, Graham H; Reeves, Andrew; Brand, Stuart; Swann, Marcus J; Peel, Louise L; Freeman, Neville J; Lu, Jian R

    2004-01-01

    A method for analysing thin films using a dual-waveguide interferometric technique is described. Alternate dual polarization addressing of the interferometer sensor using a ferroelectric liquid crystal polarization switch allowed the opto-geometrical properties (density and thickness) of adsorbed layers at a solid-liquid interface to be determined. Differences in the waveguide mode dispersion between the transverse electric and transverse magnetic modes allowed unique combinations of layer thickness and refractive index to be determined at all stages of the layer formation process. The technique has been verified by comparing the analysis of the surface adsorption of surfactants with data obtained using neutron scattering techniques, observing their behaviour on trimethylsilane coated silicon oxynitride surfaces. The data obtained were found to be in excellent agreement with analogous neutron scattering experiments and the precision of the measurements taken to be of the order of 40 pm with respect to adsorbed layer thicknesses. The study was extended to a series of surfactants whose layer morphology could be correlated with their hydrophilicity/lipophilicity balance. Those in the series with longer alkyl chains were observed to form thinner, denser layers at the hydrophobic solid/aqueous liquid interface and the degree of order attained at sub-critical micelle concentrations to be correlated with molecular fluidity. The technique is expected to find utility with those interested in thin film analysis. An important and growing area of application is within the life sciences, especially in the field of protein structure and function

  16. Adsorbed states of chlorophenol on Cu(110) and controlled switching of single-molecule junctions

    Energy Technology Data Exchange (ETDEWEB)

    Okuyama, H., E-mail: hokuyama@kuchem.kyoto-u.ac.jp; Kitaguchi, Y.; Hattori, T.; Ueda, Y.; Ferrer, N. G.; Hatta, S.; Aruga, T. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)

    2016-06-28

    A molecular junction of substituted benzene (chlorophenol) is fabricated and controlled by using a scanning tunneling microscope (STM). Prior to the junction formation, the bonding geometry of the molecule on the surface is characterized by STM and electron energy loss spectroscopy (EELS). EELS shows that the OH group of chlorophenol is dissociated on Cu(110) and that the molecule is bonded nearly flat to the surface via an O atom, with the Cl group intact. We demonstrate controlled contact of an STM tip to the “available” Cl group and lift-up of the molecule while it is anchored to the surface via an O atom. The asymmetric bonding motifs of the molecule to the electrodes allow for reversible control of the junction.

  17. Detection of gas molecules on single Mn adatom adsorbed graphyne: a DFT-D study

    Science.gov (United States)

    Lu, Zhansheng; Lv, Peng; Ma, Dongwei; Yang, Xinwei; Li, Shuo; Yang, Zongxian

    2018-02-01

    As one of the prominent applications in intelligent systems, gas sensing technology has attracted great interest in both industry and academia. In the current study, the pristine graphyne (GY) without and with a single Mn atom is investigated to detect the gas molecules (CO, CH4, CO2, NH3, NO and O2). The pristine GY is promising to detect O2 molecules because of its chemical adsorption on GY with large electron transfer. The great stability of the Mn/GY is found, and the Mn atom prefers to anchor at the alkyne ring as a single atom. Upon single Mn atom anchoring, the sensitivity and selectivity of GY based gas sensors is significantly improved for various molecules, except CH4. The recovery time of the Mn/GY after detecting the gas molecules may help to appraise the detection efficiency for the Mn/GY. The current study will help to understand the mechanism of detecting the gas molecules, and extend the potentially fascinating applications of GY-based materials.

  18. Carbon nanotubes-based chemiresistive immunosensor for small molecules: detection of nitroaromatic explosives.

    Science.gov (United States)

    Park, Miso; Cella, Lakshmi N; Chen, Wilfred; Myung, Nosang V; Mulchandani, Ashok

    2010-12-15

    In recent years, there has been a growing focus on use of one-dimensional (1-D) nanostructures, such as carbon nanotubes and nanowires, as transducer elements for label-free chemiresistive/field-effect transistor biosensors as they provide label-free and high sensitivity detection. While research to-date has elucidated the power of carbon nanotubes- and other 1-D nanostructure-based field effect transistors immunosensors for large charged macromolecules such as proteins and viruses, their application to small uncharged or charged molecules has not been demonstrated. In this paper we report a single-walled carbon nanotubes (SWNTs)-based chemiresistive immunosensor for label-free, rapid, sensitive and selective detection of 2,4,6-trinitrotoluene (TNT), a small molecule. The newly developed immunosensor employed a displacement mode/format in which SWNTs network forming conduction channel of the sensor was first modified with trinitrophenyl (TNP), an analog of TNT, and then ligated with the anti-TNP single chain antibody. Upon exposure to TNT or its derivatives the bound antibodies were displaced producing a large change, several folds higher than the noise, in the resistance/conductance of SWNTs giving excellent limit of detection, sensitivity and selectivity. The sensor detected between 0.5 ppb and 5000 ppb TNT with good selectivity to other nitroaromatic explosives and demonstrated good accuracy for monitoring TNT in untreated environmental water matrix. We believe this new displacement format can be easily generalized to other one-dimensional nanostructure-based chemiresistive immuno/affinity-sensors for detecting small and/or uncharged molecules of interest in environmental monitoring and health care. Copyright © 2010 Elsevier B.V. All rights reserved.

  19. Collective effects, relaxation and localization of hole levels in atoms, molecules, solids, and adsorbates

    International Nuclear Information System (INIS)

    Wendin, G.

    1979-01-01

    Recent progress in descriptions of photoelectron spectra is reviewed with emphasis on cases where the one-electron and quasi-particle approximations break down and the hole level becomes spread over a number of discrete lines or a continuum or both. Unifying aspects and similarities between interaction processes in atoms, molecules and solids are stressed. 38 references

  20. Slow Diffusive Motions in a Monolayer of Tetracosane Molecules Adsorbed on Graphite

    DEFF Research Database (Denmark)

    Taub, H.; Hansen, Flemming Yssing; Criswell, L.

    2004-01-01

    to a temperature of similar to230 K, we observe the QNS energy width to be dispersionless, consistent with molecular dynamics simulations showing rotational motion of the molecules about their long axis. At 260 K, the QNS energy width begins to increase with wave vector transfer, suggesting onset of nonuniaxial...

  1. Tribochemical synthesis of nano-lubricant films from adsorbed molecules at sliding solid interface: Tribo-polymers from α-pinene, pinane, and n-decane

    Science.gov (United States)

    He, Xin; Barthel, Anthony J.; Kim, Seong H.

    2016-06-01

    The mechanochemical reactions of adsorbed molecules at sliding interfaces were studied for α-pinene (C10H16), pinane (C10H18), and n-decane (C10H22) on a stainless steel substrate surface. During vapor phase lubrication, molecules adsorbed at the sliding interface could be activated by mechanical shear. Under the equilibrium adsorption condition of these molecules, the friction coefficient of sliding steel surfaces was about 0.2 and a polymeric film was tribochemically produced. The synthesis yield of α-pinene tribo-polymers was about twice as much as pinane tribo-polymers. In contrast to these strained bicyclic hydrocarbons, n-decane showed much weaker activity for tribo-polymerization at the same mechanical shear condition. These results suggested that the mechanical shear at tribological interfaces could induce the opening of the strained ring structure of α-pinene and pinane, which leads to polymerization of adsorbed molecules at the sliding track. On a stainless steel surface, such polymerization reactions of adsorbed molecules do not occur under typical surface reaction conditions. The mechanical properties and boundary lubrication efficiency of the produced tribo-polymer films are discussed.

  2. Phase properties of elastic waves in systems constituted of adsorbed diatomic molecules on the (001) surface of a simple cubic crystal

    Science.gov (United States)

    Deymier, P. A.; Runge, K.

    2018-03-01

    A Green's function-based numerical method is developed to calculate the phase of scattered elastic waves in a harmonic model of diatomic molecules adsorbed on the (001) surface of a simple cubic crystal. The phase properties of scattered waves depend on the configuration of the molecules. The configurations of adsorbed molecules on the crystal surface such as parallel chain-like arrays coupled via kinks are used to demonstrate not only linear but also non-linear dependency of the phase on the number of kinks along the chains. Non-linear behavior arises for scattered waves with frequencies in the vicinity of a diatomic molecule resonance. In the non-linear regime, the variation in phase with the number of kinks is formulated mathematically as unitary matrix operations leading to an analogy between phase-based elastic unitary operations and quantum gates. The advantage of elastic based unitary operations is that they are easily realizable physically and measurable.

  3. Surface Chemistry Dependence of Mechanochemical Reaction of Adsorbed Molecules-An Experimental Study on Tribopolymerization of α-Pinene on Metal, Metal Oxide, and Carbon Surfaces.

    Science.gov (United States)

    He, Xin; Kim, Seong H

    2018-02-20

    Mechanochemical reactions between adsorbate molecules sheared at tribological interfaces can induce association of adsorbed molecules, forming oligomeric and polymeric products often called tribopolymers). This study revealed the role or effect of surface chemistry of the solid substrate in mechanochemical polymerization reactions. As a model reactant, α-pinene was chosen because it was known to readily form tribopolymers at the sliding interface of stainless steel under vapor-phase lubrication conditions. Eight different substrate materials were tested-palladium, nickel, copper, stainless steel, gold, silicon oxide, aluminum oxide, and diamond-like carbon (DLC). All metal substrates and DLC were initially covered with surface oxide species formed naturally in air or during the oxidative sample cleaning. It was found that the tribopolymerization yield of α-pinene is much higher on the substrates that can chemisorb α-pinene, compared to the ones on which only physisorption occurs. From the load dependence of the tribopolymerization yield, it was found that the surfaces capable of chemisorption give a smaller critical activation volume for the mechanochemical reaction, compared to the ones capable of physisorption only. On the basis of these observations and infrared spectroscopy analyses of the adsorbed molecules and the produced polymers, it was concluded that the mechanochemical reaction mechanisms might be different between chemically reactive and inert surfaces and that the chemical reactivity of the substrate surface greatly influences the tribochemical polymerization reactions of adsorbed molecules.

  4. Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse.

    Science.gov (United States)

    Takanashi, Tsukasa; Nakamura, Kosuke; Kukk, Edwin; Motomura, Koji; Fukuzawa, Hironobu; Nagaya, Kiyonobu; Wada, Shin-Ichi; Kumagai, Yoshiaki; Iablonskyi, Denys; Ito, Yuta; Sakakibara, Yuta; You, Daehyun; Nishiyama, Toshiyuki; Asa, Kazuki; Sato, Yuhiro; Umemoto, Takayuki; Kariyazono, Kango; Ochiai, Kohei; Kanno, Manabu; Yamazaki, Kaoru; Kooser, Kuno; Nicolas, Christophe; Miron, Catalin; Asavei, Theodor; Neagu, Liviu; Schöffler, Markus; Kastirke, Gregor; Liu, Xiao-Jing; Rudenko, Artem; Owada, Shigeki; Katayama, Tetsuo; Togashi, Tadashi; Tono, Kensuke; Yabashi, Makina; Kono, Hirohiko; Ueda, Kiyoshi

    2017-08-02

    Coulomb explosion of diiodomethane CH 2 I 2 molecules irradiated by ultrashort and intense X-ray pulses from SACLA, the Japanese X-ray free electron laser facility, was investigated by multi-ion coincidence measurements and self-consistent charge density-functional-based tight-binding (SCC-DFTB) simulations. The diiodomethane molecule, containing two heavy-atom X-ray absorbing sites, exhibits a rather different charge generation and nuclear motion dynamics compared to iodomethane CH 3 I with only a single heavy atom, as studied earlier. We focus on charge creation and distribution in CH 2 I 2 in comparison to CH 3 I. The release of kinetic energy into atomic ion fragments is also studied by comparing SCC-DFTB simulations with the experiment. Compared to earlier simulations, several key enhancements are made, such as the introduction of a bond axis recoil model, where vibrational energy generated during charge creation processes induces only bond stretching or shrinking. We also propose an analytical Coulomb energy partition model to extract the essential mechanism of Coulomb explosion of molecules from the computed and the experimentally measured kinetic energies of fragment atomic ions by partitioning each pair Coulomb interaction energy into two ions of the pair under the constraint of momentum conservation. Effective internuclear distances assigned to individual fragment ions at the critical moment of the Coulomb explosion are then estimated from the average kinetic energies of the ions. We demonstrate, with good agreement between the experiment and the SCC-DFTB simulation, how the more heavily charged iodine fragments and their interplay define the characteristic features of the Coulomb explosion of CH 2 I 2 . The present study also confirms earlier findings concerning the magnitude of bond elongation in the ultrashort X-ray pulse duration, showing that structural damage to all but C-H bonds does not develop to a noticeable degree in the pulse length of ∼10

  5. Transfer of chirality from adsorbed chiral molecules to the substrates highlighted by circular dichroism in angle-resolved valence photoelectron spectroscopy

    DEFF Research Database (Denmark)

    Contini, G.; Turchini, S.; Sanna, Simone

    2012-01-01

    Studies of self-assembled chiral molecules on achiral metallic surfaces have mostly focused on the determination of the geometry of adsorbates and their electronic structure. The aim of this paper is to provide direct information on the chirality character of the system and on the chirality...... transfer from molecules to substrate by means of circular dichroism in the angular distribution of valence photoelectrons for the extended domain of the chiral self-assembled molecular structure, formed by alaninol adsorbed on Cu(100). We show, by the dichroic behavior of a mixed molecule–copper valence...... state, that the presence of molecular chiral domains induces asymmetry in the interaction with the substrate and locally transfers the chiral character to the underlying metal atoms participating in the adsorption process; combined information related to the asymmetry of the initial electronic state...

  6. Effect of substrate thickness on ejection of phenylalanine molecules adsorbed on free-standing graphene bombarded by 10 keV C{sub 60}

    Energy Technology Data Exchange (ETDEWEB)

    Golunski, M. [Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Krakow (Poland); Verkhoturov, S.V.; Verkhoturov, D.S.; Schweikert, E.A. [Department of Chemistry, Texas A& M University, College Station, TX 77840 (United States); Postawa, Z., E-mail: zbigniew.postawa@uj.edu.pl [Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Krakow (Poland)

    2017-02-15

    Highlights: • Substrate thickness has a prominent effect on the molecular ejection mechanism. • Collisions with projectile atoms leads to molecular ejection at thin substrates. • Interactions with deforming graphene sheet ejects molecules from thicker substrates. • Probability of fragmentation process decreases with the graphene substrate thickness. - Abstract: Molecular dynamics computer simulations have been employed to investigate the effect of substrate thickness on the ejection mechanism of phenylalanine molecules deposited on free-standing graphene. The system is bombarded from the graphene side by 10 keV C{sub 60} projectiles at normal incidence and the ejected particles are collected both in transmission and reflection directions. It has been found that the ejection mechanism depends on the substrate thickness. At thin substrates mostly organic fragments are ejected by direct collisions between projectile atoms and adsorbed molecules. At thicker substrates interaction between deforming topmost graphene sheet and adsorbed molecules becomes more important. As this process is gentle and directionally correlated, it leads predominantly to ejection of intact molecules. The implications of the results to a novel analytical approach in Secondary Ion Mass Spectrometry based on ultrathin free-standing graphene substrates and a transmission geometry are discussed.

  7. Element-specific and site-specific ion desorption from adsorbed molecules by deep core-level photoexcitation at the K-edges

    CERN Document Server

    Baba, Y H

    2003-01-01

    This article reviews our recent works on the ion desorption from adsorbed and condensed molecules at low temperature following the core-level photoexcitations using synchrotron soft x-rays. The systems investigated here are adsorbed molecules with relatively heavy molecular weight containing third-row elements such as Si, P, S, and Cl. Compared with molecules composed of second-row elements, the highly element-specific and site-specific fragment-ion desorption were observed when we tune the photon energy at the dipole-allowed 1s -> sigma sup * (3p sup *) resonance. On the basis of the resonance Auger decay spectra around the 1s ionization thresholds, the observed highly specific ion desorption is interpreted by the localization of the excited electrons (here we call as 'spectator electrons') in the antibonding sigma sup * orbital. In order to separate the direct photo-induced process from the indirect processes triggered by the secondary electrons, the photon-stimulated ion desorption was also investigated in...

  8. Adatom Bond Dissociation in the Collision Between an Adsorbed Atom and Incident Diatomic Molecule: A Classical Trajectory Study

    International Nuclear Information System (INIS)

    Bayhan, U.

    2004-01-01

    The collisional dissociation of the Atom-Surface bond in the diatomic molecule (gas) / atom (ads) collision taking place on a bcc-structure surface have been studied by classical trajectory methods over the collision energy ranges and the attractive well depth of the diatomic molecule (gas) / atom (ads) interactions

  9. Electron stimulated desorption of cations from C sub 6 H sub 6 and C sub 6 H sub 1 sub 2 molecules adsorbed on Pt(1 1 1) and Ar spacer layer

    CERN Document Server

    Kawanowa, H; Hanatani, K; Gotoh, Y; Souda, R

    2003-01-01

    Mechanisms of electron stimulated cation desorption have been investigated for adsorbed C sub 6 H sub 6 and C sub 6 H sub 1 sub 2 molecules on the Pt(1 1 1) surface and the Ar spacer layer formed on it. The ion yields from the molecules adsorbed on the Ar spacer layer are highly enhanced at the smallest coverage and decay steeply with increasing coverage. No such enhancement was observed when they are adsorbed directly on the Pt(1 1 1) substrate. This behavior is explained in terms of the Coulombic repulsion of cations confined in nanoclusters, together with the delocalization of valence holes on the Pt(1 1 1) substrate as well as in the multilayer hydrocarbons. The holes in the C sub 6 H sub 6 molecule are more delocalized than those in the C sub 6 H sub 1 sub 2 molecule due to the overlap of pi orbitals.

  10. Surface-Enhanced Raman Spectroscopy of Dye and Thiol Molecules Adsorbed on Triangular Silver Nanostructures: A Study of Near-Field Enhancement, Localization of Hot-Spots, and Passivation of Adsorbed Carbonaceous Species

    Directory of Open Access Journals (Sweden)

    Manuel R. Gonçalves

    2012-01-01

    Full Text Available Surface-enhanced Raman spectroscopy (SERS of thiols and dye molecules adsorbed on triangular silver nanostructures was investigated. The SERS hot-spots are localized at the edges and corners of the silver triangular particles. AFM and SEM measurements permit to observe many small clusters formed at the edges of triangular particles fabricated by nanosphere lithography. Finite-element calculations show that near-field enhancements can reach values of more than 200 at visible wavelengths, in the gaps between small spherical particles and large triangular particles, although for the later no plasmon resonance was found at the wavelengths investigated. The regions near the particles showing strong near-field enhancement are well correlated with spatial localization of SERS hot-spots done by confocal microscopy. Silver nanostructures fabricated by thermal evaporation present strong and fast fluctuating SERS activity, due to amorphous carbon contamination. Thiols and dye molecules seem to be able to passivate the undesired SERS activity on fresh evaporated silver.

  11. Surface-Enhanced Raman Spectroscopy of Dye and Thiol Molecules Adsorbed on Triangular Silver Nano structures: A Study of Near-Field Enhancement, Localization of Hot-Spots, and Passivation of Adsorbed Carbonaceous Species

    International Nuclear Information System (INIS)

    Goncalves, M.R.; Marti, O.; Fabian Enderle, F.

    2012-01-01

    Surface-enhanced Raman spectroscopy (SERS) of thiols and dye molecules adsorbed on triangular silver nanostructures was investigated. The SERS hot-spots are localized at the edges and corners of the silver triangular particles. AFM and SEM measurements permit to observe many small clusters formed at the edges of triangular particles fabricated by nanosphere lithography. Finite-element calculations show that near-field enhancements can reach values of more than 200 at visible wavelengths, in the gaps between small spherical particles and large triangular particles, although for the later no plasmon resonance was found at the wavelengths investigated. The regions near the particles showing strong near-field enhancement are well correlated with spatial localization of SERS hot-spots done by confocal microscopy. Silver nanostructures fabricated by thermal evaporation present strong and fast fluctuating SERS activity, due to amorphous carbon contamination. Thiols and dye molecules seem to be able to passivate the undesired SERS activity on fresh evaporated silver. excitation: by far-field illumination of metal nanostructures or rough metal Raman scattering cross-section of gold-palladium target Temporal Fluctuation in SERS Temporal and spectral fluctuations.

  12. Prompt and delayed Coulomb explosion of doubly ionized hydrogen chloride molecules in intense femtosecond laser fields

    Science.gov (United States)

    Ma, Junyang; Li, Hui; Lin, Kang; Song, Qiying; Ji, Qinying; Zhang, Wenbin; Li, Hanxiao; Sun, Fenghao; Qiang, Junjie; Lu, Peifen; Gong, Xiaochun; Zeng, Heping; Wu, Jian

    2018-06-01

    We experimentally investigate the dissociative double ionization of hydrogen chloride (HCl) molecules in intense femtosecond laser pulses. In addition to the prompt dissociation channels which occur on femtosecond timescales, long-lived hydrogen chloride dications which Coulomb-explode in flight towards the detector are clearly identified in the photoion-photoion coincidence spectrum. Different pathways leading to these prompt and delayed dissociation channels involving various bound and repulsive states of the HCl dication are discussed based on the observed kinetic energy release and momentum distributions. Our results indicate that the specific features of the HCl dication potential energy curves are responsible for the generation of the delayed fragmentation channels, which are expected to be general processes for the hydrogen halides.

  13. Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

    Science.gov (United States)

    Qi, Xuejun; Song, Wenwu; Shi, Jianwei

    2017-01-01

    Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

  14. Vibrational dynamics of adsorbed molecules under conditions of photodesorption: Pump-probe SFG spectra of CO/Pt(111)

    Science.gov (United States)

    Fournier, Frédéric; Zheng, Wanquan; Carrez, Serge; Dubost, Henri; Bourguignon, Bernard

    2004-09-01

    Interaction of CO adsorbed on Pt(111) with electrons and phonons is studied experimentally by means of a pump-probe experiment where CO is probed by IR+visible sum frequency generation under a pump laser intensity that allows photodesorption. Vibrational spectra of CO internal stretch are obtained as a function of pump-probe delay. A two-temperature and anharmonic coupling model is used to extract from the spectra the real time variations of CO peak frequency and dephasing time. The main conclusions are the following: (i) The CO stretch is perturbed by two low-frequency modes, assigned to frustrated rotation and frustrated translation. (ii) The frustrated rotation is directly coupled to electrons photoexcited in Pt(111) by the pump laser. (iii) There is no evidence of Pt-CO stretch excitation in the spectra. The implications for the photodesorption dynamics are discussed.

  15. First-principles investigations of electronic and magnetic properties of SrTiO3 (001) surfaces with adsorbed ethanol and acetone molecules

    Science.gov (United States)

    Adeagbo, Waheed A.; Fischer, Guntram; Hergert, Wolfram

    2011-05-01

    First-principles methods based on density functional theory are used to investigate the electronic and magnetic properties of molecular interaction of the TiO2 terminated SrTiO3 (100) surface with ethanol or acetone. Both the perfect surface and the surface with an oxygen or a titanium vacancy in the top layer are considered. Ethanol and acetone are preferentially adsorbed molecularly via their respective oxygen atom on top of the Ti atom on the perfect surface. In case of an oxygen vacancy the adsorption of ethanol or acetone occurs directly on top of the vacancy and does not significantly affect the magnetism caused by the vacancy. In the case of a titanium vacancy both adsorbates occupy positions above Ti atoms. During this adsorption process the ethanol molecule dissociates into a CH3CO radical and three hydrogen atoms. The latter form hydroxide bonds with three of the four dangling oxygen bonds around the Ti vacancy and any magnetic moment induced by the Ti vacancy is annihilated. Thus the ethanol and acetone have a different impact on the surface magnetism of the SrTiO3 (100) surface.

  16. Frontier molecular orbitals of a single molecule adsorbed on thin insulating films supported by a metal substrate: electron and hole attachment energies.

    Science.gov (United States)

    Scivetti, Iván; Persson, Mats

    2017-09-06

    We present calculations of vertical electron and hole attachment energies to the frontier orbitals of a pentacene molecule absorbed on multi-layer sodium chloride films supported by a copper substrate using a simplified density functional theory (DFT) method. The adsorbate and the film are treated fully within DFT, whereas the metal is treated implicitly by a perfect conductor model. We find that the computed energy gap between the highest and lowest unoccupied molecular orbitals-HOMO and LUMO -from the vertical attachment energies increases with the thickness of the insulating film, in agreement with experiments. This increase of the gap can be rationalised in a simple dielectric model with parameters determined from DFT calculations and is found to be dominated by the image interaction with the metal. We find, however, that this simplified model overestimates the downward shift of the energy gap in the limit of an infinitely thick film.

  17. On the widths of Stokes lines in Raman scattering from molecules adsorbed at metal surfaces and in molecular conduction junctions

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Yi, E-mail: yig057@ucsd.edu; Galperin, Michael, E-mail: migalperin@ucsd.edu [Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093 (United States); Nitzan, Abraham, E-mail: nitzan@post.tau.ac.il [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA and School of Chemistry, Tel Aviv University, Tel Aviv 69978 (Israel)

    2016-06-28

    Within a generic model we analyze the Stokes linewidth in surface enhanced Raman scattering (SERS) from molecules embedded as bridges in molecular junctions. We identify four main contributions to the off-resonant Stokes signal and show that under zero voltage bias (a situation pertaining also to standard SERS experiments) and at low bias junctions only one of these contributions is pronounced. The linewidth of this component is determined by the molecular vibrational relaxation rate, which is dominated by interactions with the essentially bosonic thermal environment when the relevant molecular electronic energy is far from the metal(s) Fermi energy(ies). It increases when the molecular electronic level is close to the metal Fermi level so that an additional vibrational relaxation channel due to electron-hole (eh) exciton in the molecule opens. Other contributions to the Raman signal, of considerably broader linewidths, can become important at larger junction bias.

  18. Orbital tomography: Molecular band maps, momentum maps and the imaging of real space orbitals of adsorbed molecules

    Energy Technology Data Exchange (ETDEWEB)

    Offenbacher, Hannes; Lüftner, Daniel; Ules, Thomas; Reinisch, Eva Maria; Koller, Georg, E-mail: georg.koller@uni-graz.at; Puschnig, Peter; Ramsey, Michael G., E-mail: michael.ramsey@uni-graz.at

    2015-10-01

    Highlights: • Orbital tomography within the plane wave final state approximation. • One electron orbital predictions versus angle resolved photoemission experiment. • Geometric and electronic structure of organic thin films elucidated by ARUPS. • Influence of molecular conformation and orientation on ARUPS. • Retrieval of sexiphenyl and pentacene orbitals in real space. - Abstract: The frontier orbitals of molecules are the prime determinants of their chemical, optical and electronic properties. Arguably, the most direct method of addressing the (filled) frontier orbitals is ultra-violet photoemission spectroscopy (UPS). Although UPS is a mature technique from the early 1970s on, the angular distribution of the photoemitted electrons was thought to be too complex to be analysed quantitatively. Recently angle resolved UPS (ARUPS) work on conjugated molecules both, in ordered thick films and chemisorbed monolayers, has shown that the angular (momentum) distribution of the photocurrent from orbital emissions can be simply understood. The approach, based on the assumption of a plane wave final state is becoming known as orbital tomography. Here we will demonstrate, with selected examples of pentacene (5A) and sexiphenyl (6P), the potential of orbital tomography. First it will be shown how the full angular distribution of the photocurrent (momentum map) from a specific orbital is related to the real space orbital by a Fourier transform. Examples of the reconstruction of 5A orbitals will be given and the procedure for recovering the lost phase information will be outlined. We then move to examples of sexiphenyl where we interrogate the original band maps of thick sexiphenyl in the light of our understanding of orbital tomography that has developed since then. With comparison to theoretical simulations of the molecular band maps, the molecular conformation and orientation will be concluded. New results for the sexiphenyl monolayer on Al(1 1 0) will then be

  19. Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).

    Science.gov (United States)

    Maurer, Reinhard J; Reuter, Karsten

    2013-07-07

    Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion Δ-self-consistent field method by Gavnholt et al. [Phys. Rev. B 78, 075441 (2008)] presents an efficient alternative to time consuming quasi-particle calculations. In this method, the standard Kohn-Sham equations of density-functional theory are solved with the constraint of a non-equilibrium occupation in a region of Hilbert-space resembling gas-phase orbitals of the adsorbate. In this work, we discuss the applicability of this method for the excited-state dynamics of metal-surface mounted organic adsorbates, specifically in the context of molecular switching. We present necessary advancements to allow for a consistent quality description of excited-state potential-energy surfaces (PESs), and illustrate the concept with the application to Azobenzene adsorbed on Ag(111) and Au(111) surfaces. We find that the explicit inclusion of substrate electronic states modifies the topologies of intra-molecular excited-state PESs of the molecule due to image charge and hybridization effects. While the molecule in gas phase shows a clear energetic separation of resonances that induce isomerization and backreaction, the surface-adsorbed molecule does not. The concomitant possibly simultaneous induction of both processes would lead to a significantly reduced switching efficiency of such a mechanism.

  20. Implanting very low energy atomic ions into surface adsorbed cage molecules: the formation/emission of Cs/C60+

    International Nuclear Information System (INIS)

    Kolodney, Eli; Kaplan, Andrey; Manor, Yoni; Bekkerman, Anatoly; Tsipinyuk, Boris

    2004-01-01

    Full Text: We demonstrate the formation of an endo-complex via a collision of energetic ions with molecular overlayers on a surface. An incoming atomic ion is encapsulated inside a very large molecule or cluster by implanting the primary ion into the target species, which then recovers its original structure or rearrange itself around the implanted ion in some stable configuration. Here we describe an experiment resulting in the formation and ejection of an endo-complex, within a single collision. We study the formation and emission of endohedral fullerenes, Cs/C 60 + and Cs/C 70 + , following a single collision of Cs + ion with a sub-monolayer of C 60 (steady state coverage) on gold and silicon surfaces and with a sub-monolayer of C 70 on gold. A continuous low energy (E 0 =35-220 eV) Cs + ion beam hit the Cs + covered surface and the collisional formation and ejection of the endohedral Cs/Cs 60 + complex, within a single Cs + /C 60 collision was observed and characterized. Several experimental observations clearly demonstrate the single collision nature of the combined atom penetration endo-complex ejection event. The fullerene molecule is actually being picked up off the surface by the penetrating Cs + ion. The evidence for the trapping of the Cs + ion inside the fullerene cage is given both by the appearance of the Cs/Cs (602-2n) + (n=1-5) sequence and its termination at Cs/Cs 50 + . Kinetic Energy Distributions (KEDs) of the outgoing Cs/Cs 60 + were measured for two different Cs + impact energies under field-free conditions. The most striking observation is the near independence of the KEDs on the impact energy. Both KEDs peak around 1.2 eV with similar line shapes. A simple model for the formation/ejection/fragmentation dynamics of the endohedral complex is proposed and is found to be in good agreement with the experimental results

  1. Modeling adsorption: Investigating adsorbate and adsorbent properties

    Science.gov (United States)

    Webster, Charles Edwin

    1999-12-01

    Surface catalyzed reactions play a major role in current chemical production technology. Currently, 90% of all chemicals are produced by heterogeneously catalyzed reactions. Most of these catalyzed reactions involve adsorption, concentrating the substrate(s) (the adsorbate) on the surface of the solid (the adsorbent). Pore volumes, accessible surface areas, and the thermodynamics of adsorption are essential in the understanding of solid surface characteristics fundamental to catalyst and adsorbent screening and selection. Molecular properties such as molecular volumes and projected molecular areas are needed in order to convert moles adsorbed to surface volumes and areas. Generally, these molecular properties have been estimated from bulk properties, but many assumptions are required. As a result, different literature values are employed for these essential molecular properties. Calculated molar volumes and excluded molecular areas are determined and tabulated for a variety of molecules. Molecular dimensions of molecules are important in the understanding of molecular exclusion as well as size and shape selectivity, diffusion, and adsorbent selection. Molecular dimensions can also be used in the determination of the effective catalytic pore size of a catalyst. Adsorption isotherms, on zeolites, (crystalline mineral oxides) and amorphous solids, can be analyzed with the Multiple Equilibrium Analysis (MEA) description of adsorption. The MEA produces equilibrium constants (Ki), capacities (ni), and thermodynamic parameters (enthalpies, ΔHi, and entropies, ΔSi) of adsorption for each process. Pore volumes and accessible surface areas are calculated from the process capacities. Adsorption isotherms can also be predicted for existing and new adsorbate-adsorbent systems with the MEA. The results show that MEA has the potential of becoming a standard characterization method for microporous solids that will lead to an increased understanding of their behavior in gas

  2. Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian (China); Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

    2015-10-28

    Molecular-surface studies are often done by assuming a corrugated, static (i.e., rigid) surface. To be able to investigate the effects that vibrations of surface atoms may have on spectra and cross sections, an expansion Hamiltonian model is proposed on the basis of the recently reported [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] SAP potential energy surface (PES), which was built for the CO/Cu(100) system with a rigid surface. In contrast to other molecule-surface coupling models, such as the modified surface oscillator model, the coupling between the adsorbed molecule and the surface atoms is already included in the present expansion SAP-PES model, in which a Taylor expansion around the equilibrium positions of the surface atoms is performed. To test the quality of the Taylor expansion, a direct model, that is avoiding the expansion, is also studied. The latter, however, requests that there is only one movable surface atom included. On the basis of the present expansion and direct models, the effects of a moving top copper atom (the one to which CO is bound) on the energy levels of a bound CO/Cu(100) system are studied. For this purpose, the multiconfiguration time-dependent Hartree calculations are carried out to obtain the vibrational fundamentals and overtones of the CO/Cu(100) system including a movable top copper atom. In order to interpret the results, a simple model consisting of two coupled harmonic oscillators is introduced. From these calculations, the vibrational levels of the CO/Cu(100) system as function of the frequency of the top copper atom are discussed.

  3. Enhanced binding capacity of boronate affinity adsorbent via surface modification of silica by combination of atom transfer radical polymerization and chain-end functionalization for high-efficiency enrichment of cis-diol molecules

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wei; He, Maofang; Wang, Chaozhan; Wei, Yinmao, E-mail: ymwei@nwu.edu.cn

    2015-07-30

    Boronate affinity materials have been widely used for specific separation and preconcentration of cis-diol molecules, but most do not have sufficient capacity due to limited binding sites on the material surface. In this work, we prepared a phenylboronic acid-functionalized adsorbent with a high binding capacity via the combination of surface-initiated atom transfer radical polymerization (SI-ATRP) and chain-end functionalization. With this method, the terminal chlorides of the polymer chains were used fully, and the proposed adsorbent contains dense boronic acid polymers chain with boronic acid on the chain end. Consequently, the proposed adsorbent possesses excellent selectivity and a high binding capacity of 513.6 μmol g{sup −1} for catechol and 736.8 μmol g{sup −1} for fructose, which are much higher than those of other reported adsorbents. The dispersed solid-phase extraction (dSPE) based on the prepared adsorbent was used for extraction of three cis-diol drugs (i.e., epinephrine, isoprenaline and caffeic acid isopropyl ester) from plasma; the eluates were analyzed by HPLC-UV. The reduced amount of adsorbent (i.e., 2.0 mg) could still eliminate interferences efficiently and yielded a recovery range of 85.6–101.1% with relative standard deviations ranging from 2.5 to 9.7% (n = 5). The results indicated that the proposed strategy could serve as a promising alternative to increase the density of surface functional groups on the adsorbent; thus, the prepared adsorbent has the potential to effectively enrich cis-diol substances in real samples. - Highlights: • Boronate adsorbent is prepared via ATRP and chain-end functionalization. • The adsorbent has quite high binding capacity for cis-diols. • Binding capacity is easily manipulated by ATRP condition. • Chain-end functionalization can improve binding capacity significantly. • Reduced adsorbent is consumed in dispersed solid-phase extraction of cis-diols.

  4. Measurement of laser activated electron tunneling from semiconductor zinc oxide to adsorbed organic molecules by a matrix assisted laser desorption ionization mass spectrometer

    International Nuclear Information System (INIS)

    Zhong Hongying; Fu Jieying; Wang Xiaoli; Zheng Shi

    2012-01-01

    Highlights: ► Irradiation of photons with energies more than the band gap generates electron–hole pairs. ► Electron tunneling probability is dependent on the electron mobility. ► Tunneling electrons are captured by charge deficient atoms. ► Unpaired electrons induce cleavages of chemical bonds. - Abstract: Measurement of light induced heterogeneous electron transfer is important for understanding of fundamental processes involved in chemistry, physics and biology, which is still challenging by current techniques. Laser activated electron tunneling (LAET) from semiconductor metal oxides was observed and characterized by a MALDI (matrix assisted laser desorption ionization) mass spectrometer in this work. Nanoparticles of ZnO were placed on a MALDI sample plate. Free fatty acids and derivatives were used as models of organic compounds and directly deposited on the surface of ZnO nanoparticles. Irradiation of UV laser (λ = 355 nm) with energy more than the band gap of ZnO produces ions that can be detected in negative mode. When TiO 2 nanoparticles with similar band gap but much lower electron mobility were used, these ions were not observed unless the voltage on the sample plate was increased. The experimental results indicate that laser induced electron tunneling is dependent on the electron mobility and the strength of the electric field. Capture of low energy electrons by charge-deficient atoms of adsorbed organic molecules causes unpaired electron-directed cleavages of chemical bonds in a nonergodic pathway. In positive detection mode, electron tunneling cannot be observed due to the reverse moving direction of electrons. It should be able to expect that laser desorption ionization mass spectrometry is a new technique capable of probing the dynamics of electron tunneling. LAET offers advantages as a new ionization dissociation method for mass spectrometry.

  5. Dynamics of cyanophenyl alkylbenzoate molecules in the bulk and in a surface layer adsorbed onto aerosil. Variation of the lengths of the alkyl chain

    Energy Technology Data Exchange (ETDEWEB)

    Frunza, Stefan [National Institute of Materials Physics, R-077125 Magurele (Romania); Schoenhals, Andreas [BAM Federal Institute of Materials Research and Testing, D-12205 Berlin (Germany); Frunza, Ligia, E-mail: lfrunza@infim.ro [National Institute of Materials Physics, R-077125 Magurele (Romania); Beica, Traian; Zgura, Irina; Ganea, Paul [National Institute of Materials Physics, R-077125 Magurele (Romania); Stoenescu, Daniel [Telecom-Bretagne, Departement d' Optique, Technopole Brest-Iroise 29238 Cedex (France)

    2010-06-16

    Graphical abstract: The temperature dependence of the molecular mobility in composites shows an Arrhenius-type regime at low temperature and a glassy-type one at higher temperature separated by a crossover phenomenon. - Abstract: The molecular mobility of 4-butyl- and 4-pentyl-4'-cyanophenyl benzoate (CP4B, CP5B) and their composites prepared from aerosil A380 was investigated by broadband dielectric spectroscopy in a large temperature range. Thermogravimetric and infrared investigations were additionally performed. High silica density (larger than 7 g aerosil/1 g of liquid crystal) was selected to observe a thin layer adsorbed on the surface of the silica particles. The data were compared with those of the member of the series with six carbon atoms in the alkyl tail. Bulk CP4B and CP5B show the dielectric behaviour expected for liquid crystals. For the composites one relaxation process is observed at frequencies much lower than those for the corresponding bulk, which was assigned to the dynamics of the molecules in a surface layer. The temperature dependence of the relaxation rates (and of the dielectric strength) shows a crossover behaviour with two distinguished regimes. At higher temperatures the data obey the Vogel-Fulcher-Tammann law, whereas an Arrhenius law is observed at lower temperature, in a close similarity to the behaviour of a constrained dynamic glass transition. The estimated Vogel and crossover temperature is independent on the tail length, while the activation energy for the low temperature branch increases weakly with increasing the alkyl tail.

  6. Extending the range of low energy electron diffraction (LEED) surface structure determination: Co-adsorbed molecules, incommensurate overlayers and alloy surface order studied by new video and electron counting LEED techniques

    International Nuclear Information System (INIS)

    Ogletree, D.F.

    1986-11-01

    LEED multiple scattering theory is briefly summarized, and aspects of electron scattering with particular significance to experimental measurements such as electron beam coherence, instrument response and phonon scattering are analyzed. Diffuse LEED experiments are discussed. New techniques that enhance the power of LEED are described, including a real-time video image digitizer applied to LEED intensity measurements, along with computer programs to generate I-V curves. The first electron counting LEED detector using a ''wedge and strip'' position sensitive anode and digital electronics is described. This instrument uses picoampere incident beam currents, and its sensitivity is limited only by statistics and counting times. Structural results on new classes of surface systems are presented. The structure of the c(4 x 2) phase of carbon monoxide adsorbed on Pt(111) has been determined, showing that carbon monoxide molecules adsorb in both top and bridge sites, 1.85 +- 0.10 A and 1.55 +- 0.10 A above the metal surface, respectively. The structure of an incommensurate graphite overlayer on Pt(111) is analyzed. The graphite layer is 3.70 +- 0.05 A above the metal surface, with intercalated carbon atoms located 1.25 +- 0.10 A above hollow sites supporting it. The (2√3 x 4)-rectangular phase of benzene and carbon monoxide coadsorbed on Pt(111) is analyzed. Benzene molecules adsorb in bridge sites parallel to and 2.10 +- 0.10 A above the surface. The carbon ring is expanded, with an average C-C bond length of 1.72 +- 0.15 A. The carbon monoxide molecules also adsorb in bridge sites. The structure of the (√3 x √3) reconstruction on the (111) face of the α-CuAl alloy has been determined

  7. Extending the range of low energy electron diffraction (LEED) surface structure determination: Co-adsorbed molecules, incommensurate overlayers and alloy surface order studied by new video and electron counting LEED techniques

    Energy Technology Data Exchange (ETDEWEB)

    Ogletree, D.F.

    1986-11-01

    LEED multiple scattering theory is briefly summarized, and aspects of electron scattering with particular significance to experimental measurements such as electron beam coherence, instrument response and phonon scattering are analyzed. Diffuse LEED experiments are discussed. New techniques that enhance the power of LEED are described, including a real-time video image digitizer applied to LEED intensity measurements, along with computer programs to generate I-V curves. The first electron counting LEED detector using a ''wedge and strip'' position sensitive anode and digital electronics is described. This instrument uses picoampere incident beam currents, and its sensitivity is limited only by statistics and counting times. Structural results on new classes of surface systems are presented. The structure of the c(4 x 2) phase of carbon monoxide adsorbed on Pt(111) has been determined, showing that carbon monoxide molecules adsorb in both top and bridge sites, 1.85 +- 0.10 A and 1.55 +- 0.10 A above the metal surface, respectively. The structure of an incommensurate graphite overlayer on Pt(111) is analyzed. The graphite layer is 3.70 +- 0.05 A above the metal surface, with intercalated carbon atoms located 1.25 +- 0.10 A above hollow sites supporting it. The (2..sqrt..3 x 4)-rectangular phase of benzene and carbon monoxide coadsorbed on Pt(111) is analyzed. Benzene molecules adsorb in bridge sites parallel to and 2.10 +- 0.10 A above the surface. The carbon ring is expanded, with an average C-C bond length of 1.72 +- 0.15 A. The carbon monoxide molecules also adsorb in bridge sites. The structure of the (..sqrt..3 x ..sqrt..3) reconstruction on the (111) face of the ..cap alpha..-CuAl alloy has been determined.

  8. Research topics in explosives - a look at explosives behaviors

    International Nuclear Information System (INIS)

    Maienschein, J L

    2014-01-01

    The behaviors of explosives under many conditions - e.g., sensitivity to inadvertent reactions, explosion, detonation - are controlled by the chemical and physical properties of the explosive materials. Several properties are considered for a range of improvised and conventional explosives. Here I compare these properties across a wide range of explosives to develop an understanding of explosive behaviors. For improvised explosives, which are generally heterogeneous mixtures of ingredients, a range of studies is identified as needed to more fully understand their behavior and properties. For conventional explosives, which are generally comprised of crystalline explosive molecules held together with a binder, I identify key material properties that determine overall sensitivity, including the extremely safe behavior of Insensitive High Explosives, and discuss an approach to predicting the sensitivity or insensitivity of an explosive.

  9. Effectiveness of laser sources for contactless sampling of explosives

    Science.gov (United States)

    Akmalov, Artem E.; Chistyakov, Alexander A.; Kotkovskii, Gennadii E.

    2016-05-01

    A mass-spectrometric study of photo processes initiated by ultraviolet (UV) laser radiation in explosives adsorbed on metal and dielectric substrates has been performed. A calibrated quadrupole mass spectrometer was used to determine a value of activation energy of desorption and a quantity of explosives desorbed by laser radiation. A special vacuumoptical module was elaborated and integrated into a vacuum mass-spectrometric system to focus the laser beam on a sample. It has been shown that the action of nanosecond laser radiation set at q= 107 - 108 W/cm2, λ=266 nm on adsorbed layers of molecules of trinitrotoluene (TNT ) and pentaerytritoltetranitrate (PETN) leads not only to an effective desorption, but also to the non-equilibrium dissociation of molecules with the formation of nitrogen oxide NO. The cyclotrimethylenetrinitramine (RDX) dissociation products are observed only at high laser intensities (q> 109 W/cm2) thus indicating the thermal nature of dissociation, whereas desorption of RDX is observed even at q> 107 W/cm2 from all substrates. Desorption is not observed for cyclotetramethylenetetranitramine (HMX) under single pulse action: the dissociation products NO and NO2 are registered only, whereas irradiation at 10Hz is quite effective for HMX desorption. The results clearly demonstrate a high efficiency of nanosecond laser radiation with λ = 266 nm, q ~ 107 - 108 W/cm2, Epulse= 1mJ for desorption of molecules of explosives from various surfaces.

  10. Electron-Stimulated Desorption of Positive Ions from Methanol Adsorbed on a Solid Ar Substrate

    Science.gov (United States)

    Kawanowa, H.; Hanatani, K.; Gotoh, Y.; Souda, R.

    Electron-stimulated desorption (ESD) of positive ions from weakly physisorbed molecules has been investigated. From methanol adsorbed on a solid Ar substrate, the protonated cluster ions of the type H+(CH3OH)n (n = 1 - 4) are emitted, together with the fragment ions such as CHn+ (n = 0 - 3), H3O+, CHO+, CH3O+, etc. The yields of these ions are markedly enhanced at the smallest coverage and decay steeply with increasing coverage. Coulomb explosion between valence holes confined in adsorbed nanoclusters is responsible for the enhanced ion yields. Very few ions except for H+ are emitted from a thick layer as well as nanoclusters adsorbed directly on a metal substrate due to the delocalization of valence holes.

  11. Targeted adsorption of molecules in the colon with the novel adsorbent-based medicinal product, DAV132: A proof of concept study in healthy subjects.

    Science.gov (United States)

    de Gunzburg, Jean; Ducher, Annie; Modess, Christiane; Wegner, Danilo; Oswald, Stefan; Dressman, Jennifer; Augustin, Violaine; Feger, Céline; Andremont, Antoine; Weitschies, Werner; Siegmund, Werner

    2015-01-01

    During antibiotic treatments, active residuals reaching the colon profoundly affect the bacterial flora resulting in the emergence of resistance. To prevent these effects, we developed an enteric-coated formulated activated-charcoal based product, DAV132, meant to deliver its adsorbent to the ileum and neutralize antibiotic residues in the proximal colon. In a randomized, control, crossover study, the plasma pharmacokinetics of the probe drugs amoxicillin (500 mg) absorbed in the proximal intestine, and sulfapyridine (25 mg) metabolized from sulfasalazine in the cecum and rapidly absorbed, were compared after a single administration in 18 healthy subjects who had received DAV132, uncoated formulated activated charcoal (FAC) or water 16 and 8 hours before, concomitantly with the probe drugs, and 8 hours thereafter. The AUC0-96 h of amoxicillin was reduced by more than 70% when it was taken with FAC, but bioequivalent when it was taken with water or DAV132. By contrast, the AUC0-96 h of sulfapyridine was reduced by more than 90% when administered with either FAC or DAV132 in comparison with water. The results show that DAV132 can selectively adsorb drug compounds in the proximal colon, without interfering with drug absorption in the proximal small intestine, thereby constituting a proof of concept that DAV132 actually functions in humans. © 2014, The American College of Clinical Pharmacology.

  12. Theory of sum-frequency generation spectroscopy of adsorbed molecules using the density matrix method-broadband vibrational sum-frequency generation and applications

    International Nuclear Information System (INIS)

    Bonn, M; Ueba, H; Wolf, M

    2005-01-01

    A generalized theory of frequency- and time-resolved vibrational sum-frequency generation (SFG) spectroscopy of adsorbates at surfaces is presented using the density matrix formalism. Our theoretical treatment is specifically aimed at addressing issues that accompany the relatively novel SFG approach using broadband infrared pulses. The ultrashort duration of these pulses makes them ideally suited for time-resolved investigations, for which we present a complete theoretical treatment. A second key characteristic of these pulses is their large bandwidth and high intensity, which allow for highly non-linear effects, including vibrational ladder climbing of surface vibrations. We derive general expressions relating the density matrix to SFG spectra, and apply these expressions to specific experimental results by solving the coupled optical Bloch equations of the density matrix elements. Thus, we can theoretically reproduce recent experimentally demonstrated hot band SFG spectra using femtosecond broadband infrared excitation of carbon monoxide (CO) on a Ru(001) surface

  13. A classical trajectory study of the adatom -surface bond dissociation in the collision reaction between an adsorbed H atom and an N2 molecule

    International Nuclear Information System (INIS)

    Bayhan, U.

    2005-01-01

    The collisionnal dissociation of the Adatom-Surface bond in the diatomic molecule N2(gas)/H(ads) collision taking place on a W(100) bcc-structure surface have been studied by classical trajectory method over the collision energy ranges (0.1-2.0 eV ) and the attractive well depth (0.19-4.0 eV). of the N2 molecule (gas)/H(ads) interactions. When the energy accumulate into the adatom bond, thus leading to a a large dissociation probability

  14. Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3d orbitals

    Czech Academy of Sciences Publication Activity Database

    Salomon, E.; Amsalem, P.; Marom, N.; Vondráček, Martin; Kronik, L.; Koch, N.; Angot, T.

    2013-01-01

    Roč. 87, č. 7 (2013), "075407-1"-"075407-9" ISSN 1098-0121 R&D Projects: GA MŠk(CZ) LG12003 Institutional support: RVO:68378271 Keywords : cobalt-phthalocyanine * molecule-substrate interaction * photoemission spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

  15. A surprising way to control the charge transport in molecular electronics: the subtle impact of the coverage of self-assembled monolayers of floppy molecules adsorbed on metallic electrodes.

    Science.gov (United States)

    Bâldea, Ioan

    2017-10-26

    Inspired by earlier attempts in organic electronics aiming at controlling charge injection from metals into organic materials by manipulating the Schottky energy barrier using self-assembled monolayers (SAMs), recent experimental and theoretical work in molecular electronics showed that metal-organic interfaces can be controlled via changes in the metal work function that are induced by SAMs. In this paper we indicate a different route to achieve interface-driven control over the charge transfer/transport at the molecular scale. It is based on the fact that, in floppy molecule based SAMs, the molecular conformation can be tuned by varying the coverage of the adsorbate. We demonstrate this effect with the aid of benchmark molecules that are often used to fabricate nanojunctions and consist of two rings that can easily rotate relative to each other. We show that, by varying the coverage of the SAM, the twisting angle φ of the considered molecular species can be modified by a factor of two. Given the fact that the low bias conductance G scales as cos 2  φ, this results in a change in G of over one order of magnitude for the considered molecular species. Tuning the twisting angle by controlling the SAM coverage may be significant, e.g., for current efforts to fabricate molecular switches. Conversely, the lack of control over the local SAM coverage may be problematic for the reproducibility and interpretation of the STM (scanning tunneling microscope) measurements on repeatedly forming single molecule break junctions.

  16. Photodissociation of aligned CH3I and C6H3F2I molecules probed with time-resolved Coulomb explosion imaging by site-selective extreme ultraviolet ionization.

    Science.gov (United States)

    Amini, Kasra; Savelyev, Evgeny; Brauße, Felix; Berrah, Nora; Bomme, Cédric; Brouard, Mark; Burt, Michael; Christensen, Lauge; Düsterer, Stefan; Erk, Benjamin; Höppner, Hauke; Kierspel, Thomas; Krecinic, Faruk; Lauer, Alexandra; Lee, Jason W L; Müller, Maria; Müller, Erland; Mullins, Terence; Redlin, Harald; Schirmel, Nora; Thøgersen, Jan; Techert, Simone; Toleikis, Sven; Treusch, Rolf; Trippel, Sebastian; Ulmer, Anatoli; Vallance, Claire; Wiese, Joss; Johnsson, Per; Küpper, Jochen; Rudenko, Artem; Rouzée, Arnaud; Stapelfeldt, Henrik; Rolles, Daniel; Boll, Rebecca

    2018-01-01

    We explore time-resolved Coulomb explosion induced by intense, extreme ultraviolet (XUV) femtosecond pulses from a free-electron laser as a method to image photo-induced molecular dynamics in two molecules, iodomethane and 2,6-difluoroiodobenzene. At an excitation wavelength of 267 nm, the dominant reaction pathway in both molecules is neutral dissociation via cleavage of the carbon-iodine bond. This allows investigating the influence of the molecular environment on the absorption of an intense, femtosecond XUV pulse and the subsequent Coulomb explosion process. We find that the XUV probe pulse induces local inner-shell ionization of atomic iodine in dissociating iodomethane, in contrast to non-selective ionization of all photofragments in difluoroiodobenzene. The results reveal evidence of electron transfer from methyl and phenyl moieties to a multiply charged iodine ion. In addition, indications for ultrafast charge rearrangement on the phenyl radical are found, suggesting that time-resolved Coulomb explosion imaging is sensitive to the localization of charge in extended molecules.

  17. Adsorber fires

    International Nuclear Information System (INIS)

    Holmes, W.

    1987-01-01

    The following conclusions are offered with respect to activated charcoal filter systems in nuclear power plants: (1) The use of activated charcoal in nuclear facilities presents a potential for deep-seated fires. (2) The defense-in-depth approach to nuclear fire safety requires that if an ignition should occur, fires must be detected quickly and subsequently suppressed. (3) Deep-seated fires in charcoal beds are difficult to extinguish. (4) Automatic water sprays can be used to extinguish fires rapidly and reliably when properly introduced into the burning medium. The second part of the conclusions offered are more like challenges: (1) The problem associated with inadvertent actuations of fire protection systems is not a major one, and it can be reduced further by proper design review, installation, testing, and maintenance. Eliminating automatic fire extinguishing systems for the protection of charcoal adsorbers is not justified. (2) Removal of automatic fire protection systems due to fear of inadvertent fire protection system operation is a case of treating the effect rather than the cause. On the other hand, properly maintaining automatic fire protection systems will preserve the risk of fire loss at acceptable levels while at the same time reducing the risk of damage presented by inadvertent operation of fire protection systems

  18. Primary explosives

    Energy Technology Data Exchange (ETDEWEB)

    Matyas, Robert; Pachman, Jiri [Pardubice Univ. (Czech Republic). Faculty of Chemical Technology

    2013-06-01

    The first chapter provides background such as the basics of initiation and differences between requirements on primary explosives used in detonators and igniters. The authors then clarify the influence of physical characteristics on explosive properties, focusing on those properties required for primary explosives. Furthermore, the issue of sensitivity is discussed. All the chapters on particular groups of primary explosives are structured in the same way, including introduction, physical and chemical properties, explosive properties, preparation and documented use.

  19. Introduction to High Explosives Science

    Energy Technology Data Exchange (ETDEWEB)

    Skidmore, Cary Bradford [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Daniel N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-11-17

    These are a set of slides for educational outreach to children on high explosives science. It gives an introduction to the elements involved in this science: carbon, hydrogen, nitrogen, and oxygen. Combined, these form the molecule HMX. Many pictures are also included to illustrate explosions.

  20. Dye@bio-MOF-1 Composite as a Dual-Emitting Platform for Enhanced Detection of a Wide Range of Explosive Molecules.

    Science.gov (United States)

    Wang, Chen; Tian, Li; Zhu, Wei; Wang, Shiqiang; Wang, Peng; Liang, Yun; Zhang, Wanlin; Zhao, Hongwei; Li, Guangtao

    2017-06-14

    By incorporating a cationic dye within a metal-organic framework (MOF) through an ion-exchange process, a responsive dye@bio-MOF-1 composite has been synthesized, serving as a dual-emitting platform for enhanced detection of different kinds of nitro-explosives, especially nitroalkanes, nitramines, and nitrate esters. The dye@bio-MOF-1 composite was constructed with free amines on their well-defined cavities, which is essential for the capture of explosives into their confined nanospace. It was observed that the encapsulation of explosives into the constructed dye@bio-MOF-1 composite could dramatically alter the luminescent properties of the dyes as well as the MOF skeletons owing to the size exclusivity and confinement-induced effect. For nitroaromatics, the dye@bio-MOF-1 composite exhibits turn-off responses via fluorescence quenching. Unexpectedly, the composite shows unique turn-on responses for aliphatic nitro-organics via confinement-induced enhancement, demonstrating enhanced ability to detecting different kinds of explosives selectively in aqueous solution. Furthermore, the dye@bio-MOF-1 film was facilely fabricated, making the chemical sensing more convenient and easier to realize the discrimination of the targeted explosives. The dual tunable responses indicate that dye@bio-MOF-1 composites are favorable materials for molecular sensing. On the basis of the host-guest properties of the constructed dye@bio-MOF-1 composite, our work can be further extended to sensing specific analytes with remarkable turn-on sensing properties, in particular those difficult to recognize with conventional methods.

  1. Sensitivities of ionic explosives

    Science.gov (United States)

    Politzer, Peter; Lane, Pat; Murray, Jane S.

    2017-03-01

    We have investigated the relevance for ionic explosive sensitivity of three factors that have been demonstrated to be related to the sensitivities of molecular explosives. These are (1) the maximum available heat of detonation, (2) the amount of free space per molecule (or per formula unit) in the crystal lattice and (3) specific features of the electrostatic potential on the molecular or ionic surface. We find that for ionic explosives, just as for molecular ones, there is an overall tendency for impact sensitivity to increase as the maximum detonation heat release is greater. This means that the usual emphasis upon designing explosives with large heats of detonation needs to be tempered somewhat. We also show that a moderate detonation heat release does not preclude a high level of detonation performance for ionic explosives, as was already demonstrated for molecular ones. Relating the free space per formula unit to sensitivity may require a modified procedure for ionic explosives; this will continue to be investigated. Finally, an encouraging start has been made in linking impact sensitivities to the electrostatic potentials on ionic surfaces, although limited so far to ammonium salts.

  2. Liquid explosives

    CERN Document Server

    Liu, Jiping

    2015-01-01

    The book drawing on the author's nearly half a century of energetic materials research experience intends to systematically review the global researches on liquid explosives. The book focuses on the study of the conception, explosion mechanism, properties and preparation of liquid explosives. It provides a combination of theoretical knowledge and practical examples in a reader-friendly style. The book is likely to be interest of university researchers and graduate students in the fields of energetic materials, blasting engineering and mining.

  3. Ecological applications of the irradiated adsorbents

    International Nuclear Information System (INIS)

    Tusseyev, T.

    2004-01-01

    Full text: In our previous works it was shown that after irradiation some adsorbents gain new interesting properties such as increasing (or decreasing) of their adsorption capacity, selectivity in relation to some gases, change of chemical bounds of gas molecules with adsorbent surface as well as other properties. We investigated a lot of adsorbents with semiconducting and dielectric properties. A high temperature superconductor was investigated also. Adsorbents were irradiated by ultraviolet (UV) and gamma - radiation, reactor (n.γ) - radiation, α-particles (E=40-50 MeV), protons ( E=30 MeV), and also He-3 ions (E-29-60 MeV). The following techniques were used: volumetric (manometrical), mass-spectrometer and IR spectroscopic methods, and also method of electronic - paramagnetic resonance (spin paramagnetic resonance) The obtained results allow to speak about creation of new adsorbents for gas purification (clearing) from harmful impurities, gas selection into components, an increasing of adsorbing surface. Thus one more advantage of the irradiated adsorbents is that they have 'memory effect', i.e. they can be used enough long time after irradiation. In laboratory conditions we built the small-sized adsorptive pump on the basis of the irradiated zeolites which are capable to work in autonomous conditions. It was found, that some of adsorbents after irradiation gain (or lose) selectivity in relation to definite gases. So, silica gel, which one in initial state does not adsorb hydrogen, after gamma irradiation it becomes active in relation to hydrogen. Some of rare earths oxides also show selectivity in relation to hydrogen and oxygen depending on a type of irradiation. Thus, it is possible to create different absorbents, depending on a solved problem, using a way or selection of adsorbents, either of radiation type and energy, as a result obtained adsorbents can be used for various ecological purposes

  4. Stellar explosion

    International Nuclear Information System (INIS)

    Suraud, E.

    1987-01-01

    What is the energy source and which physical processes are powerful enough to generate this explosion which scatters the star. The knowledge progress of very dense matter allows the scenario reconstitution. An instability in the star core which is developing during milliseconds is the cause of this explosion [fr

  5. Atkins' molecules

    CERN Document Server

    Atkins, Peters

    2003-01-01

    Originally published in 2003, this is the second edition of a title that was called 'the most beautiful chemistry book ever written'. In it, we see the molecules responsible for the experiences of our everyday life - including fabrics, drugs, plastics, explosives, detergents, fragrances, tastes, and sex. With engaging prose Peter Atkins gives a non-technical account of an incredible range of aspects of the world around us, showing unexpected connections, and giving an insight into how this amazing world can be understood in terms of the atoms and molecules from which it is built. The second edition includes dozens of extra molecules, graphical presentation, and an even more accessible and enthralling account of the molecules themselves.

  6. Interplay of adsorbate-adsorbate and adsorbate-substrate interactions in self-assembled molecular surface nanostructures

    DEFF Research Database (Denmark)

    Schnadt, Joachim; Xu, Wei; Vang, Ronnie Thorbjørn

    2010-01-01

    a large tolerance to monatomic surface steps on the Ag(110) surface. The observed behaviour is explained in terms of strong intermolecular hydrogen bonding and a strong surface-mediated directionality, assisted by a sufficient degree of molecular backbone flexibility. In contrast, the same kind of step......-edge crossing is not observed when the molecules are adsorbed on the isotropic Ag(111) or more reactive Cu(110) surfaces. On Ag(111), similar 1-D assemblies are formed to those on Ag(110), but they are oriented along the step edges. On Cu(110), the carboxylic groups of NDCA are deprotonated and form covalent...... bonds to the surface, a situation which is also achieved on Ag(110) by annealing to 200 degrees C. These results show that the formation of particular self-assembled molecular nanostructures depends significantly on a subtle balance between the adsorbate-adsorbate and adsorbate-substrate interactions...

  7. Friction and diffusion dynamics of adsorbates at surfaces

    NARCIS (Netherlands)

    Fusco, C.

    2005-01-01

    A theoretical study of the motion of adsorbates (e. g. atoms, molecules or clusters) on solid surfaces is presented, with a focus on surface diffusion and atomic-scale friction. These two phenomena are inextricably linked, because when an atomic or molecular adsorbate diffuses, or is pulled, it

  8. High-nitrogen explosives

    Energy Technology Data Exchange (ETDEWEB)

    Naud, D. (Darren); Hiskey, M. A. (Michael A.); Kramer, J. F. (John F.); Bishop, R. L. (Robert L.); Harry, H. H. (Herbert H.); Son, S. F. (Steven F.); Sullivan, G. K. (Gregg K.)

    2002-01-01

    The syntheses and characterization of various tetrazine and furazan compounds offer a different approach to explosives development. Traditional explosives - such as TNT or RDX - rely on the oxidation of the carbon and hydrogen atoms by the oxygen carrying nitro group to produce the explosive energy. High-nitrogen compounds rely instead on large positive heats of formation for that energy. Some of these high-nitrogen compounds have been shown to be less sensitive to initiation (e.g. by impact) when compared to traditional nitro-containing explosives of similar performances. Using the precursor, 3,6-bis-(3,5-dimethylpyrazol-1-yl)-s-tetrazine (BDT), several useful energetic compounds based on the s-tetrazine system have been synthesized and studied. The compound, 3,3{prime}-azobis(6-amino-s-tetrazine) or DAAT, detonates as a half inch rate stick despite having no oxygen in the molecule. Using perfluoroacetic acid, DAAT can be oxidized to give mixtures of N-oxide isomers (DAAT03.5) with an average oxygen content of about 3.5. This energetic mixture burns at extremely high rates and with low dependency on pressure. Another tetrazine compound of interest is 3,6-diguanidino-s-tetrazine(DGT) and its dinitrate and diperchlorate salts. DGT is easily synthesized by reacting BDT with guanidine in methanol. Using Caro's acid, DGT can be further oxidized to give 3,6-diguanidino-s-tetrazine-1,4-di-N-oxide (DGT-DO). Like DGT, the di-N-oxide can react with nitric acid or perchloric acid to give the dinitrate and the diperchlorate salts. The compounds, 4,4{prime}-diamino-3,3{prime}-azoxyfurazan (DAAF) and 4,4{prime}-diamino-3,3{prime}-azofurazan (DAAzF), may have important future roles in insensitive explosive applications. Neither DAAF nor DAAzF can be initiated by laboratory impact drop tests, yet both have in some aspects better explosive performances than 1,3,5-triamino-2,4,6-trinitrobenzene TATB - the standard of insensitive high explosives. The thermal stability of DAAz

  9. Studies of the laser-induced fluorescence of explosives and explosive compositions.

    Energy Technology Data Exchange (ETDEWEB)

    Hargis, Philip Joseph, Jr. (,; .); Thorne, Lawrence R.; Phifer, Carol Celeste; Parmeter, John Ethan; Schmitt, Randal L.

    2006-10-01

    Continuing use of explosives by terrorists throughout the world has led to great interest in explosives detection technology, especially in technologies that have potential for standoff detection. This LDRD was undertaken in order to investigate the possible detection of explosive particulates at safe standoff distances in an attempt to identify vehicles that might contain large vehicle bombs (LVBs). The explosives investigated have included the common homogeneous or molecular explosives, 2,4,6-trinitrotoluene (TNT), pentaerythritol tetranitrate (PETN), cyclonite or hexogen (RDX), octogen (HMX), and the heterogeneous explosive, ammonium nitrate/fuel oil (ANFO), and its components. We have investigated standard excited/dispersed fluorescence, laser-excited prompt and delayed dispersed fluorescence using excitation wavelengths of 266 and 355 nm, the effects of polarization of the laser excitation light, and fluorescence imaging microscopy using 365- and 470-nm excitation. The four nitro-based, homogeneous explosives (TNT, PETN, RDX, and HMX) exhibit virtually no native fluorescence, but do exhibit quenching effects of varying magnitude when adsorbed on fluorescing surfaces. Ammonium nitrate and fuel oil mixtures fluoresce primarily due to the fuel oil, and, in some cases, due to the presence of hydrophobic coatings on ammonium nitrate prill or impurities in the ammonium nitrate itself. Pure ammonium nitrate shows no detectable fluorescence. These results are of scientific interest, but they provide little hope for the use of UV-excited fluorescence as a technique to perform safe standoff detection of adsorbed explosive particulates under real-world conditions with a useful degree of reliability.

  10. The Dynamics and Structures of Adsorbed Surfaces

    DEFF Research Database (Denmark)

    Nielsen, M; Ellenson, W. D.; McTague, J. P.

    1978-01-01

    . Elastic neutron diffraction measurements, determining the two-dimensional structural ordering of the adsorbed films, have been performed on layers of N2, Ar, H2, D2, O2, Kr, and He. Measurements on layers of larger molecules such as CD4 and ND3 have also been reported. Inelastic neutron scattering...... measurements, studying the dynamics of the adsorbed films are only possible in a few especially favourable cases such as 36Ar and D2 films, where the coherent phonon scattering cross-sections are very large. In other cases incoherent scattering from hydrogen can give information about e.g. the mobility...

  11. Black molecular adsorber coatings for spaceflight applications

    Science.gov (United States)

    Abraham, Nithin S.; Hasegawa, Mark M.; Straka, Sharon A.

    2014-09-01

    The molecular adsorber coating is a new technology that was developed to mitigate the risk of on-orbit molecular contamination on spaceflight missions. The application of this coating would be ideal near highly sensitive, interior surfaces and instruments that are negatively impacted by outgassed molecules from materials, such as plastics, adhesives, lubricants, epoxies, and other similar compounds. This current, sprayable paint technology is comprised of inorganic white materials made from highly porous zeolite. In addition to good adhesion performance, thermal stability, and adsorptive capability, the molecular adsorber coating offers favorable thermal control characteristics. However, low reflectivity properties, which are typically offered by black thermal control coatings, are desired for some spaceflight applications. For example, black coatings are used on interior surfaces, in particular, on instrument baffles for optical stray light control. Similarly, they are also used within light paths between optical systems, such as telescopes, to absorb light. Recent efforts have been made to transform the white molecular adsorber coating into a black coating with similar adsorptive properties. This result is achieved by optimizing the current formulation with black pigments, while still maintaining its adsorption capability for outgassing control. Different binder to pigment ratios, coating thicknesses, and spray application techniques were explored to develop a black version of the molecular adsorber coating. During the development process, coating performance and adsorption characteristics were studied. The preliminary work performed on black molecular adsorber coatings thus far is very promising. Continued development and testing is necessary for its use on future contamination sensitive spaceflight missions.

  12. Explosive simulants for testing explosive detection systems

    Science.gov (United States)

    Kury, John W.; Anderson, Brian L.

    1999-09-28

    Explosives simulants that include non-explosive components are disclosed that facilitate testing of equipment designed to remotely detect explosives. The simulants are non-explosive, non-hazardous materials that can be safely handled without any significant precautions. The simulants imitate real explosives in terms of mass density, effective atomic number, x-ray transmission properties, and physical form, including moldable plastics and emulsions/gels.

  13. Regenerative adsorbent heat pump

    Science.gov (United States)

    Jones, Jack A. (Inventor)

    1991-01-01

    A regenerative adsorbent heat pump process and system is provided which can regenerate a high percentage of the sensible heat of the system and at least a portion of the heat of adsorption. A series of at least four compressors containing an adsorbent is provided. A large amount of heat is transferred from compressor to compressor so that heat is regenerated. The process and system are useful for air conditioning rooms, providing room heat in the winter or for hot water heating throughout the year, and, in general, for pumping heat from a lower temperature to a higher temperature.

  14. Adsorbates in a Box: Titration of Substrate Electronic States

    Science.gov (United States)

    Cheng, Zhihai; Wyrick, Jonathan; Luo, Miaomiao; Sun, Dezheng; Kim, Daeho; Zhu, Yeming; Lu, Wenhao; Kim, Kwangmoo; Einstein, T. L.; Bartels, Ludwig

    2010-08-01

    Nanoscale confinement of adsorbed CO molecules in an anthraquinone network on Cu(111) with a pore size of ≈4nm arranges the CO molecules in a shell structure that coincides with the distribution of substrate confined electronic states. Molecules occupy the states approximately in the sequence of rising electron energy. Despite the sixfold symmetry of the pore boundary itself, the adsorbate distribution adopts the threefold symmetry of the network-substrate system, highlighting the importance of the substrate even for such quasi-free-electron systems.

  15. Explosive Pleuritis

    Directory of Open Access Journals (Sweden)

    Satish Kumar

    2012-01-01

    Full Text Available Pleural effusions associated with pneumonia (parapneumonic effusions are one of the most common causes of exudative pleural effusions in the world. Approximately 20 to 40% of patients hospitalized with pneumonia will have an accompanying pleural effusion. The term 'Explosive pleuritis' was originally described by Braman and Donat in 1986 as pleural effusions developing within hours of admission. We report a 38 years old male patient with minimal pleural effusion which progressed rapidly within one day to involve almost whole of the hemithorax. There were multiple loculations on ultrasonography of thorax. Pleural fluid was sero-sanguinous and revealed gram positive diplococcic. The patient improved with antibiotics and pigtail catheter drainage.

  16. Transporting method for adsorbing tower and the adsorbing tower

    International Nuclear Information System (INIS)

    Shimokawa, Nobuhiro.

    1996-01-01

    A cylindrical plastic bag is disposed to the upper surface of an adsorbing tower so as to surround a suspending piece. One opening of the bag is sealed, and other opening is secured in a sealed state to a bag holding portion disposed to glove box at a gate for the adsorbing tower box. The adsorbing tower is transported into the glove box, and after the completion of the operation of the adsorbing tower, the adsorbing tower is taken out in a state that the bag is restricted and sealed at a portion below the adsorbing tower. The bag may be made of a vinyl plastic, the bag holding portion may be a short-cylindrical protrusion, and may have an O-ring groove at the outer surface. Even if the adsorbing tower is heavy, the adsorbing tower can be carried out easily in a state where it is sealed gas tightly. (N.H.)

  17. Electronic structure of benzene adsorbed on Ni and Cu surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Weinelt, M.; Nilsson, A.; Wassdahl, N. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    Benzene has for a long time served as a prototype adsorption system of large molecules. It adsorbs with the molecular plane parallel to the surface. The bonding of benzene to a transition metal is typically viewed to involve the {pi} system. Benzene adsorbs weakly on Cu and strongly on Ni. It is interesting to study how the adsorption strength is reflected in the electronic structure of the adsorbate-substrate complex. The authors have used X-ray Emission (XE) and X-ray Absorption (XA) spectroscopies to selectively study the electronic states localized on the adsorbed benzene molecule. Using XES the occupied states can be studies and with XAS the unoccupied states. The authors have used beamline 8.0 and the Swedish endstation equipped with a grazing incidence x-ray spectrometer and a partial yield absorption detector. The resolution in the XES and XAS were 0.5 eV and 0.05 eV, respectively.

  18. Role of adsorbates on current fluctuations in DC field emission

    International Nuclear Information System (INIS)

    Luong, M.; Bonin, B.; Long, H.; Safa, H.

    1996-01-01

    Field emission experiments in DC regime usually show important current fluctuations for a fixed electric field. These fluctuations are attributed to adsorbed layers (molecules or atoms), liable to affect the work function, height and shape of the potential barrier binding the electron in the metal. The role of these adsorbed species is investigated by showing that the field emission from a well desorbed sample is stable and reproducible and by comparing the emission from the same sample before and after desorption. (author)

  19. Explosive compositions

    Energy Technology Data Exchange (ETDEWEB)

    1971-04-01

    An explosive composition containing ammonium nitrate consists of (1) from 40 to 75 Pt. by wt of particulate ammonium nitrate, (2) from 20 to 35 Pt. by wt of a solution selected from the group consisting of aqueous magnesium nitrate, aqueous ammonium nitrate and aqueous ammoniacal ammonium nitrate; and (3) at least 2 Pt. by wt of a setting agent selected from the group consisting of alkaline earth metal oxides, zinc oxide, lead monoxide, calcined dolomitic limestone, anhydrous calcium sulfate, anhydrous magnesium sulfate, anhydrous sodium tetrapyrophosphate and anhydrous sodium thiosulfate. The setting agent is further characterized in setting the composition to a solid material which contains solvent used in the liquid phase. (Abstract only - original article not available from T.U.)

  20. Explosive composition

    Energy Technology Data Exchange (ETDEWEB)

    Slykhouse, T E

    1968-05-09

    An ammonium nitrate explosive composition is characterized in that it contains from 40 to 75 parts by wt of particulate ammonium nitrate, from 20 to 35 parts by wt of a solution selected from the group consisting of aqueous magnesium nitrate, aqueous ammonium nitrate, and aqueous ammoniacal ammonium nitrate. It also contains at least 2 parts by wt of a setting agent selected from the group consisting of alkaline earth metal oxides, zinc oxide, lead monoxide, calcined dolomitic limestone, substantially anhydrous calcium sulfate, substantially anhydrous magnesium sulfate, substantially anhydrous sodium tetrapyrophosphate and substantially anhydrous sodium thiosulfate. The setting agent is further characterized in that it sets the composition to a solid material which contains solvent used in the liquid phase. (12 claims)

  1. Slurry explosives

    Energy Technology Data Exchange (ETDEWEB)

    1973-08-23

    A slurry explosive is comprised of (1) a composition consisting of ammonium nitrate or a mixture of ammonium nitrate and an alkali metal nitrate; or an alkaline earth metal nitrate; or an alkali metal nitrate and an alkaline earth metal nitrate; at least one member selected from the group consisting of 2,4,6-trinitrotoluene, aluminum, smokeless powder and fuels; and water; (2) 0.1 to 2.0% of guar gum; (3) between 0% and 0.3% of a sodium, potassium, calcium or magnesium borate; and greater than 0% but not more than 20% of hexamethylene tetramine; and (4) 0.02 to 2.0% of antimony potassium tartarate, antimony trioxide, antimony trisulfide or a mixture of these antimony compounds, % by wt.

  2. The state of physically adsorbed substances in microporous adsorbents

    International Nuclear Information System (INIS)

    Fomkin, A.A.

    1987-01-01

    Xe, Kr, Ar, CF 3 Cl, CH 4 adsorption in NaX microporous zeolite of 0.98 Na 2 OxAl 2 O 3 x2.36SiO 2 x0.02H 2 O is studied. Some properties of adsorbates (density, coefficients of expansion, enthalpy, heat capacity) are determined and discussed. The adsorbate in the microporous adsorbent is shown to be a particular state of a substance. Liniarity of adsorption isosteres and sharp changes during isosteric heat capacity of the adsorbate points to the fact that in microporous adsorbents phase transformations of the second type are possible

  3. 78 FR 64246 - Commerce in Explosives; List of Explosives Materials

    Science.gov (United States)

    2013-10-28

    ..., including non-cap sensitive slurry and water gel explosives. Blasting caps. Blasting gelatin. Blasting.... Explosive conitrates. Explosive gelatins. Explosive liquids. Explosive mixtures containing oxygen-releasing... powder. [[Page 64247

  4. Orientational epitaxy in adsorbed monolayers

    International Nuclear Information System (INIS)

    Novaco, A.D.; McTague, J.P.

    1977-01-01

    The ground state for adsorbed monolayers on crystalline substrates is shown to involve a definite relative orientation of the substrate and adsorbate crystal axes, even when the relative lattice parameters are incommensurate. The rotation angle which defines the structure of the monolayer-substrate system is determined by the competition between adsorbate-substrate and adsorbate-adsorbate energy terms, and is generally not a symmetry angle. Numerical predictions are presented for the rare gas-graphite systems, whose interaction potentials are rather well known. Recent LEED data for some of these systems appear to corroborate these predictions

  5. Supernova explosions

    CERN Document Server

    Branch, David

    2017-01-01

    Targeting advanced students of astronomy and physics, as well as astronomers and physicists contemplating research on supernovae or related fields, David Branch and J. Craig Wheeler offer a modern account of the nature, causes and consequences of supernovae, as well as of issues that remain to be resolved. Owing especially to (1) the appearance of supernova 1987A in the nearby Large Magellanic Cloud, (2) the spectacularly successful use of supernovae as distance indicators for cosmology, (3) the association of some supernovae with the enigmatic cosmic gamma-ray bursts, and (4) the discovery of a class of superluminous supernovae, the pace of supernova research has been increasing sharply. This monograph serves as a broad survey of modern supernova research and a guide to the current literature. The book’s emphasis is on the explosive phases of supernovae. Part 1 is devoted to a survey of the kinds of observations that inform us about supernovae, some basic interpreta tions of such data, and an overview of t...

  6. Zeolites as alcohol adsorbents from aqueous solutions

    Directory of Open Access Journals (Sweden)

    Cekova Blagica

    2006-01-01

    Full Text Available The potential usage of zeolites as adsorbents for the removal of organic molecules from water was investigated in a series of experiments with aqueous solutions of lower alcohols. This could represent a simple solution to the problem of cleaning up industrial wastewater as well as recovering valuable chemicals at relatively low costs. Adsorption isotherms of the Langmuir type were applied, and calculations showed that the amount of propanol adsorbed on silicalite corresponded to approximately 70% of the pore volume. The adsorption process is simple, and recovery of the more concentrated products is easily done by heat treatment and/or at lowered pressures. Adsorption experiments with aqueous acetone showed that silicalite had approximately the same adsorption capacity for acetone as for n-propanol. Heats of adsorption were determined calorimetrically.

  7. High performance Mo adsorbent PZC

    Energy Technology Data Exchange (ETDEWEB)

    Anon,

    1998-10-01

    We have developed Mo adsorbents for natural Mo(n, {gamma}){sup 99}Mo-{sup 99m}Tc generator. Among them, we called the highest performance adsorbent PZC that could adsorb about 250 mg-Mo/g. In this report, we will show the structure, adsorption mechanism of Mo, and the other useful properties of PZC when you carry out the examination of Mo adsorption and elution of {sup 99m}Tc. (author)

  8. Kinetics of conformational changes of fibronectin adsorbed onto model surfaces.

    Science.gov (United States)

    Baujard-Lamotte, L; Noinville, S; Goubard, F; Marque, P; Pauthe, E

    2008-05-01

    Fibronectin (FN), a large glycoprotein found in body fluids and in the extracellular matrix, plays a key role in numerous cellular behaviours. We investigate FN adsorption onto hydrophilic bare silica and hydrophobic polystyrene (PS) surfaces using Fourier transform infrared spectroscopy-attenuated total reflection (FTIR-ATR) in aqueous medium. Adsorption kinetics using different bulk concentrations of FN were followed for 2h and the surface density of adsorbed FN and its time-dependent conformational changes were determined. When adsorption occurs onto the hydrophilic surface, FN molecules keep their native conformation independent of the adsorption conditions, but the amount of adsorbed FN increases with time and the bulk concentration. Although the protein surface density is the same on the hydrophobic PS surface, this has a strong impact on the average conformation of the adsorbed FN layer. Indeed, interfacial hydration changes induced by adsorption onto the hydrophobic surface lead to a decrease in unhydrated beta-sheet content and cause an increase in hydrated beta-strand and hydrated random domain content of adsorbed FN. This conformational change is mainly dependent on the bulk concentration. Indeed, at low bulk concentrations, the secondary structures of adsorbed FN molecules undergo strong unfolding, allowing an extended and hydrated conformation of the protein. At high bulk concentrations, the molecular packing reduces the unfolding of the stereoregular structures of the FN molecules, preventing stronger spreading of the protein.

  9. Understanding vented gas explosions

    Energy Technology Data Exchange (ETDEWEB)

    Lautkaski, R. [VTT Energy, Espoo (Finland). Energy Systems

    1997-12-31

    The report is an introduction to vented gas explosions for nonspecialists, particularly designers of plants for flammable gases and liquids. The phenomena leading to pressure generation in vented gas explosions in empty and congested rooms are reviewed. The four peak model of vented gas explosions is presented with simple methods to predict the values of the individual peaks. Experimental data on the external explosion of dust and gas explosions is discussed. The empirical equation relating the internal and external peak pressures in vented dust explosions is shown to be valid for gas explosion tests in 30 m{sup 3} and 550 m{sup 3} chambers. However, the difficulty of predicting the internal peak pressure in large chambers remains. Methods of explosion relief panel design and principles of vent and equipment layout to reduce explosion overpressures are reviewed. (orig.) 65 refs.

  10. Understanding vented gas explosions

    Energy Technology Data Exchange (ETDEWEB)

    Lautkaski, R [VTT Energy, Espoo (Finland). Energy Systems

    1998-12-31

    The report is an introduction to vented gas explosions for nonspecialists, particularly designers of plants for flammable gases and liquids. The phenomena leading to pressure generation in vented gas explosions in empty and congested rooms are reviewed. The four peak model of vented gas explosions is presented with simple methods to predict the values of the individual peaks. Experimental data on the external explosion of dust and gas explosions is discussed. The empirical equation relating the internal and external peak pressures in vented dust explosions is shown to be valid for gas explosion tests in 30 m{sup 3} and 550 m{sup 3} chambers. However, the difficulty of predicting the internal peak pressure in large chambers remains. Methods of explosion relief panel design and principles of vent and equipment layout to reduce explosion overpressures are reviewed. (orig.) 65 refs.

  11. Positronium chemistry in porous adsorbents

    International Nuclear Information System (INIS)

    Foti, G.; Nagy, L.G.; Moravcsik, G.; Schay, G.

    1981-01-01

    Kinetic studies on the annihilation of orthopositronium in porous adsorbents have been performed using lifetime spectroscopy. The positron source applied was 22 Na with 0.2 MBq activity. The adsorbents investigated were silica gels of different particle size and pore structure. The appearance of the long-lived component in the lifetime spectra can be explained by the diffusion of the orthopositronium into the pores affected by the particle size and the pore size of the adsorbent, the coverage on it and the chemical nature of the adsorbate. The long-term aim of the work is to determine and to explain these effects. (author)

  12. Characterisation of lignite as an industrial adsorbent

    Energy Technology Data Exchange (ETDEWEB)

    Ying Qi; Andrew F.A. Hoadley; Alan L. Chaffee; Gil Garnier [Monash University, Clayton, Vic. (Australia). Department of Chemical Engineering

    2011-04-15

    An alternative use of the abundant and inexpensive lignite (also known as brown coal) as an industrial adsorbent has been characterised. The adsorptive properties of two Victorian lignite without any pre-treatment were investigated using the cationic methylene blue dye as a model compound in aqueous solutions. Two commercial activated carbon products were also studied for comparison. The adsorption equilibrium of the four adsorbents was better described by the Langmuir isotherm model than the Freundlich model. The adsorption capacities of the two untreated lignite adsorbents, Loy Yang and Yallourn, calculated using Langmuir isotherms were 286 and 370 mg/g, respectively, higher than a coconut shell-based activated carbon (167 mg/g), but lower than a coal-based activated carbon (435 mg/g). Surface area results suggested that larger micropores and mesopores were important for achieving good methylene blue adsorption by the activated carbons. However, FTIR and cation exchange capacity analyses revealed that, for the lignite, chemical interactions between lignite surface functional groups and methylene blue molecules occurred, thereby augmenting its adsorption capacity. 63 refs., 3 figs., 7 tabs.

  13. Adsorbate-induced lifting of substrate relaxation is a general mechanism governing titania surface chemistry.

    Science.gov (United States)

    Silber, David; Kowalski, Piotr M; Traeger, Franziska; Buchholz, Maria; Bebensee, Fabian; Meyer, Bernd; Wöll, Christof

    2016-09-30

    Under ambient conditions, almost all metals are coated by an oxide. These coatings, the result of a chemical reaction, are not passive. Many of them bind, activate and modify adsorbed molecules, processes that are exploited, for example, in heterogeneous catalysis and photochemistry. Here we report an effect of general importance that governs the bonding, structure formation and dissociation of molecules on oxidic substrates. For a specific example, methanol adsorbed on the rutile TiO 2 (110) single crystal surface, we demonstrate by using a combination of experimental and theoretical techniques that strongly bonding adsorbates can lift surface relaxations beyond their adsorption site, which leads to a significant substrate-mediated interaction between adsorbates. The result is a complex superstructure consisting of pairs of methanol molecules and unoccupied adsorption sites. Infrared spectroscopy reveals that the paired methanol molecules remain intact and do not deprotonate on the defect-free terraces of the rutile TiO 2 (110) surface.

  14. The synthesis of a new type adsorbent for the removal of toxic gas by radiation-induced graft polymerization

    International Nuclear Information System (INIS)

    Okamoto, Jiro; Sugo, Takanobu

    1990-01-01

    A new type of adsorbent containing sulfuric acid group for the removal of ammonia gas was synthesized by radiation-induced graft polymerization of styrene onto fibrous and nonwoven type polypropylene followed by sulufonation with chlorosulfonic acid. The rate of the adsorption of ammonia gas by H-type adsorbent is independent of the ion-exchange capacity. The amount of ammonia gas adsorbed by the chemical adsorption was dependent on the ion-exchange capacity of H-type fibrous adsorbent and was kept constant value in spite of the equilibrium pressure of ammonia gas. Cu(II)- and Ni(II)-types fibrous adsorbent were prepared by the ion exchange reaction of Na-type fibrous adsorbent with metal nitrate solutions. Although, the rate of adsorption of ammonia gas by metal-type fibrous adsorbent is lower than that of H-type adsorbent, the amount of ammonia gas adsorbed increases compared to H-type adsorbent with the same ion exchange capacity. It was related to the highest coordination number of metal ion. The ratio of the number of ammonia molecules adsorbed chemically and the number of metal ion adsorbed in fibrous adsorbent was 4 for Cu-type and 6 for Ni-type fibrous adsorbent, respectively. (author)

  15. Irradiation Degradation of Adsorbents for Minor Actinides Recovery

    International Nuclear Information System (INIS)

    Watanabe, S.; Sano, Y.; Kofuji, H.; Takeuchi, M.; Koizumi, T.

    2015-01-01

    Extraction chromatography is one of the promising technologies for minor actinides (MA: Am and Cm) recovery from high-level liquid waste. The degradation behaviour of the organic species in the adsorbents under radiation exposure is important to discuss the safety and durability of the adsorbent in the extraction chromatography process. In this study, gamma-ray irradiation experiments on TODGA/SiO 2 -P adsorbent were carried out to investigate the degradation products from radiolysis of the adsorbent. The degraded organic species eluted from the adsorbent and those remaining inside the adsorbent were thoroughly identified by GC/MS, FT-IR and NMR analyses. The species suspected as hydrolysis products of TODGA were mainly detected from the analyses. Since some radicals such as.H or.OH are generated by the gamma-ray irradiation on water molecules, it was discussed that the radicals products from radiolysis of HNO 3 solution are related to the degradation reaction of the extractants. (authors)

  16. Black Sprayable Molecular Adsorber Coating

    Data.gov (United States)

    National Aeronautics and Space Administration — The main objective of this technology project is to develop, optimize, and flight qualify a black version of the molecular adsorber coating and a conductive version...

  17. New Mix Explosives for Explosive Welding

    Science.gov (United States)

    Andreevskikh, Leonid

    2011-06-01

    Suggested and tested were some mix explosives--powder mixtures of a brisant high explosive (HE = RDX, PETN) and an inert diluent (baking soda)--for use in explosive welding. RDX and PETN were selected in view of their high throwing ability and low critical diameter. Since the decomposition of baking soda yields a huge amount of gaseous products, its presence ensures (even at a low HE percentage) a throwing speed that is sufficient for realization of explosive welding, at a reduced brisant action of charge. Mix chargers containing 30-70 wt % HE (the rest baking soda) have been tested experimentally and optimized. For study of possibility to reduce critical diameter of HE mixture, the mixture was prepared where HE crystal sizes did not exceed 10 μm. The tests, which were performed with this HE, revealed that the mixture detonated stably with the velocity D ~ 2 km/s, if the layer thickness was d = 2 mm. The above explosives afford to markedly diminish deformations within the oblique impact zone and thus to carry out explosive welding of hollow items and thin metallic foils.

  18. Research on an improved explosive emission cathode

    International Nuclear Information System (INIS)

    Liu Guozhi; Sun Jun; Shao Hao; Chen Changhua; Zhang Xiaowei

    2009-01-01

    This paper presents a physical description of the cathode plasma process of an explosive emission cathode (EEC) and experimental results on a type of oil-immersed graphite EEC. It is believed that the generation of a cathode plasma is mainly dependent on the state of the cathode surface, and that adsorbed gases and dielectrics on the cathode surface play a leading role in the formation of the cathode plasma. Based on these ideas, a type of oil-immersed graphite EEC is proposed and fabricated. The experiments indicate that the oil-immersed cathodes have improved emissive properties and longer lifetimes.

  19. Distribution of adsorbed molecules in electronic nose sensors

    DEFF Research Database (Denmark)

    Swann, M.J.; Glidle, A.; Gadegaard, Nikolaj

    2000-01-01

    Neutron reflectivity measurements of thin films of electropolymerised poly(pyrrole) show that swelling of these insoluble polymers does occur following vapour adsorption. The variation in swelling found for different vapours is correlated with corresponding changes in polymer conductivity and mass...

  20. Coulomb explosion of large penetrating molecular clusters

    International Nuclear Information System (INIS)

    Wegner, H.E.; Thieberger, P.

    1981-01-01

    The main purpose of these Coulomb explosion measurements is to determine what kind of structure these and other complex molecules may have and also to determine what other special phenomena may come into play as these complex molecules pass through matter. Although the first preliminary measurements involving the Coulomb explosion of these molecules was reported at this workshop last year, the results are briefly summarized before going on to the more recent measurements obtained with a completely new kind of detector system. This new image intensifier detector system, coupled with a microcomputer, has proven to be a valuable tool in the study of the Coulomb explosion of complex molecules that penetrate matter. In the future, with some additional improvements in the system, and much better statistics for most of the molecules studied to date, it is expected that much new information will be gained about the structure of many kinds of complex molecular ions including the special effects that may be encountered when these fast molecular ions penetrate matter

  1. Free radical explosive composition

    Science.gov (United States)

    Walker, Franklin E.; Wasley, Richard J.

    1979-01-01

    An improved explosive composition is disclosed and comprises a major portion of an explosive having a detonation velocity between about 1500 and 10,000 meters per second and a minor amount of a getter additive comprising a compound or mixture of compounds capable of capturing or deactivating free radicals or ions under mechanical or electrical shock conditions and which is not an explosive. Exemplary getter additives are isocyanates, olefins and iodine.

  2. Nuclear explosives and hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, P

    1971-10-01

    A nuclear explosive 12 in. in diam and producing very little tritium is feasible in France. Such a device would be well adapted for contained nuclear explosions set off for the purpose of hydrocarbon storage or stimulation. The different aspects of setting off the explosive are reviewed. In the particular case of gas storage in a nuclear cavity in granite, it is demonstrated that the dose of irradiation received is extremely small. (18 refs.)

  3. Chernobyl explosion bombshell

    International Nuclear Information System (INIS)

    Martin, S.; Arnott, D.

    1988-01-01

    It is suggested that the explosion at the Chernobyl-4 reactor in April 1986 was a nuclear explosion. The evidence for this is examined. The sequence of events at Chernobyl is looked at to see if the effects were like those from a nuclear explosion. The question of whether a United Kingdom reactor could go prompt critical is discussed. It is concluded that prompt criticality excursions are possible, but the specific Chernobyl sequence is impossible. (UK)

  4. Quantitative relationship between adsorbed amount of solute and solvent composition

    International Nuclear Information System (INIS)

    Wang Yan; Geng Xindu; Zebolsky, Don M.

    2003-01-01

    A new adsorption isotherm that relates the amount of solute adsorbed to the solvent concentration is proposed. The new equation is derived from Geng and Shi's stoichiometric displacement model for adsorption (SDM-A). The obtained equation may be simplified to an expression containing two parameters. The equation with two parameters, valid for low concentrations of solute, is a logarithmically linear relationship. The intercept contains a thermodynamic equilibrium constant of the solute displacing solvent from the adsorbent. The slope is the negative value of the stoichiometric displacement parameter (Z), the average total number of solvent molecules displaced from an active site on the adsorbent and from the solute. Tests with a homologous series of aromatic alcohols by frontal analysis in reversed phase liquid chromatography demonstrate that experimental results fit the equation well

  5. Explosive Technology Group

    Data.gov (United States)

    Federal Laboratory Consortium — The Explosive Technology Group (ETG) provides diverse technical expertise and an agile, integrated approach to solve complex challenges for all classes of energetic...

  6. Transport through a Single Octanethiol Molecule

    NARCIS (Netherlands)

    Kockmann, D.; Poelsema, Bene; Zandvliet, Henricus J.W.

    2009-01-01

    Octanethiol molecules adsorbed on Pt chains are studied with scanning tunneling microscopy and spectroscopy at 77 K. The head of the octanethiol binds to a Pt atom and the tail is lying flat down on the chain. Open-loop current time traces reveal that the molecule wags its tail and attaches to the

  7. Controlled contact to a C-60 molecule

    DEFF Research Database (Denmark)

    Neel, N.; Kröger, J.; Limot, L.

    2007-01-01

    The tip of a low-temperature scanning tunneling microscope is approached towards a C-60 molecule adsorbed at a pentagon-hexagon bond on Cu(100) to form a tip-molecule contact. The conductance rapidly increases to approximate to 0.25 conductance quanta in the transition region from tunneling to co...

  8. Krypton retention on solid adsorbents

    International Nuclear Information System (INIS)

    Monson, P.R. Jr.

    1980-01-01

    Radioactive krypton-85 is released to the atmosphere in the off-gas from nuclear reprocessing plants. Three main methods have been suggested for removal of krypton from off-gas streams: cryogenic distillation; fluorocarbon absorption; and adsorption on solid sorbents. Use of solid adsorbents is the least developed of these methods, but offers the potential advantages of enhanced safety and lower operating costs. An experimental laboratory program was developed that will be used to investigate systematically many solid adsorbents (such as zeolites, i.e., mordenites) for trapping krypton in air. The objective of this investigation is to find an adsorbent that is more economical than silver-exchanged mordenite. Various physical and chemical characteristics such as adsorption isotherms, decontamination factors, co-adsorption, regeneration, and the mechanism and kinetics of noble gas adsorption were used to characterize the adsorbents. In the experimental program, a gas chromatograph using a helium ionization detector was used to measure the krypton in air before and after the adsorbent bed. This method can determine directly decontamination factors greater than 100

  9. The condensation of water on adsorbed viruses.

    Science.gov (United States)

    Alonso, José María; Tatti, Francesco; Chuvilin, Andrey; Mam, Keriya; Ondarçuhu, Thierry; Bittner, Alexander M

    2013-11-26

    The wetting and dewetting behavior of biological nanostructures and to a greater degree single molecules is not well-known even though their contact with water is the basis for all biology. Here, we show that environmental electron microscopy (EM) can be applied as a means of imaging the condensation of water onto viruses. We captured the formation of submicrometer water droplets and filaments on single viral particles by environmental EM and by environmental transmission EM. The condensate structures are compatible with capillary condensation between adsorbed virus particles and with known droplet shapes on patterned surfaces. Our results confirm that such droplets exist down to condensation/evaporation cycle as expected from their stability in air and water. Moreover we developed procedures that overcome problems of beam damage and of resolving structures with a low atomic number.

  10. Krypton retention on solid adsorbents

    International Nuclear Information System (INIS)

    Monson, P.R. Jr.

    1982-01-01

    An experimental laboratory program was conducted to develop economical solid adsorbents for the retention of krypton from a dissolver off-gas stream. The study indicates that a solid adsorbent system is feasible and competitive with other developing systems which utilize fluorocarbon absorption nd cryogenic distillation. This technology may have potential applications not only in nuclear fuel reprocessing plants, but also in nuclear reactors and in environmental monitoring. Of the 13 prospective adsorbents evaluated with respect to adsorption capacity and cost, the commercially available hydrogen mordenite was the most cost-effective material at subambient temperatures (-40 0 to -80 0 C). Silver mordenite has a higher capacity for krypton retention, but is 50 times more expensive than hydrogen mordenite

  11. Membrane adsorber for endotoxin removal

    Directory of Open Access Journals (Sweden)

    Karina Moita de Almeida

    Full Text Available ABSTRACT The surface of flat-sheet nylon membranes was modified using bisoxirane as the spacer and polyvinyl alcohol as the coating polymer. The amino acid histidine was explored as a ligand for endotoxins, aiming at its application for endotoxin removal from aqueous solutions. Characterization of the membrane adsorber, analysis of the depyrogenation procedures and the evaluation of endotoxin removal efficiency in static mode are discussed. Ligand density of the membranes was around 7 mg/g dry membrane, allowing removal of up to 65% of the endotoxins. The performance of the membrane adsorber prepared using nylon coated with polyvinyl alcohol and containing histidine as the ligand proved superior to other membrane adsorbers reported in the literature. The lack of endotoxin adsorption on nylon membranes without histidine confirmed that endotoxin removal was due to the presence of the ligand at the membrane surface. Modified membranes were highly stable, exhibiting a lifespan of approximately thirty months.

  12. Explosion metal welding

    International Nuclear Information System (INIS)

    Popoff, A.A.

    1976-01-01

    Process parameters pertaining to welding similar and dissimilar metals using explosives are reviewed. The discussion centers on the interrelationship of physical parameters which play a part in achieving desirable metallurgical results. Present activities in explosion metal welding at LASL are presented and shown how they related to the interests of the ERDA community

  13. Explosions and static electricity

    DEFF Research Database (Denmark)

    Jonassen, Niels M

    1995-01-01

    The paper deals with the problem of electrostatic discharges as causes of ignition of vapor/gas and dust/gas mixtures. A series of examples of static-caused explosions will be discussed. The concepts of explosion limits, the incendiveness of various discharge types and safe voltages are explained...

  14. Steam explosion studies review

    International Nuclear Information System (INIS)

    Hwang, Moon Kyu; Kim, Hee Dong

    1999-03-01

    When a cold liquid is brought into contact with a molten material with a temperature significantly higher than the liquid boiling point, an explosive interaction due to sudden fragmentation of the melt and rapid evaporation of the liquid may take place. This phenomenon is referred to as a steam explosion or vapor explosion. Depending upon the amount of the melt and the liquid involved, the mechanical energy released during a vapor explosion can be large enough to cause serious destruction. In hypothetical severe accidents which involve fuel melt down, subsequent interactions between the molten fuel and coolant may cause steam explosion. This process has been studied by many investigators in an effort to assess the likelihood of containment failure which leads to large scale release of radioactive materials to the environment. In an effort to understand the phenomenology of steam explosion, extensive studies has been performed so far. The report presents both experimental and analytical studies on steam explosion. As for the experimental studies, both small scale tests which involve usually less than 20 g of high temperature melt and medium/large scale tests which more than 1 kg of melt is used are reviewed. For the modelling part of steam explosions, mechanistic modelling as well as thermodynamic modelling is reviewed. (author)

  15. Cell phone explosion.

    Science.gov (United States)

    Atreya, Alok; Kanchan, Tanuj; Nepal, Samata; Pandey, Bhuwan Raj

    2016-03-01

    Cell phone explosions and resultant burn injuries are rarely reported in the scientific literature. We report a case of cell phone explosion that occurred when a young male was listening to music while the mobile was plugged in for charging. © The Author(s) 2015.

  16. Browns Ferry charcoal adsorber incident

    International Nuclear Information System (INIS)

    Mays, G.T.

    1979-01-01

    The article reviews the temperature excursion in the charcoal adsorber beds of the Browns Ferry Unit 3 off-gas system that occurred on July 17, 1977. Significant temperature increases were experienced in the charcoal adsorber beds when charcoal fines were ignited by the ignition of a combustible mixture of hydrogen and oxygen in the off-gas system. The Browns Ferry off-gas system is described, and events leading up to and surrounding the incident are discussed. The follow-up investigation by Tennessee Valley Authority and General Electric Company personnel and their recommendations for system and operational modifications are summarized

  17. Krypton retention on solid adsorbents

    International Nuclear Information System (INIS)

    Monson, P.R. Jr.

    1981-08-01

    Over a dozen prospective adsorbents for krypton were studied and evaluated with respect to adsorption capacity and cost for dissolver off-gas streams from nuclear reprocessing plants. Results show that, at subambient temperature (-40 0 to -80 0 C), the commercially available hydrogen mordenite has sufficient adsorptive capacity to be the most cost-effective material studied. Silver mordenite has a higher capacity for krypton retention, but is 50 times more expensive than hydrogen mordenite. The results indicate that a solid adsorbent system is feasible and competitive with other developing systems whih utilize fluorocarbon absorption and cryogenic distillation

  18. Radiolysis of alanine adsorbed in a clay mineral

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar-Ovando, Ellen Y.; Negron-Mendoza, Alicia [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico (UNAM), Circuito Exterior s/n, Ciudad Universitaria, Apartado Postal 70-543, Deleg. Coyoacan, C.P. 04510 (Mexico)

    2013-07-03

    Optical activity in molecules is a chemical characteristic of living beings. In this work, we examine the hypothesis of the influence of different mineral surfaces on the development of a specific chirality in organic molecules when subjected to conditions simulating the primitive Earth during the period of chemical evolution. By using X-ray diffraction techniques and HPLC/ELSD to analyze aqueous suspensions of amino acids adsorbed on minerals irradiated in different doses with a cobalt-60 gamma source, the experiments attempt to prove the hypothesis that some solid surfaces (like clays and meteorite rocks) may have a concentration capacity and protective role against external sources of ionizing radiation (specifically {gamma}-ray) for some organic compounds (like some amino acids) adsorbed on them. Preliminary results show a slight difference in the adsorption and radiolysis of the D-and L-alanine.

  19. Radiolysis of alanine adsorbed in a clay mineral

    International Nuclear Information System (INIS)

    Aguilar-Ovando, Ellen Y.; Negrón-Mendoza, Alicia

    2013-01-01

    Optical activity in molecules is a chemical characteristic of living beings. In this work, we examine the hypothesis of the influence of different mineral surfaces on the development of a specific chirality in organic molecules when subjected to conditions simulating the primitive Earth during the period of chemical evolution. By using X-ray diffraction techniques and HPLC/ELSD to analyze aqueous suspensions of amino acids adsorbed on minerals irradiated in different doses with a cobalt-60 gamma source, the experiments attempt to prove the hypothesis that some solid surfaces (like clays and meteorite rocks) may have a concentration capacity and protective role against external sources of ionizing radiation (specifically γ-ray) for some organic compounds (like some amino acids) adsorbed on them. Preliminary results show a slight difference in the adsorption and radiolysis of the D-and L-alanine

  20. Underground nuclear explosions

    Energy Technology Data Exchange (ETDEWEB)

    Higgins, Gary H [Lawrence Radiation Laboratory, University of California, Livermore, CA (United States)

    1970-05-01

    In the Third Plowshare Symposium, held in 1964, data from a number of nuclear explosions were presented. At that time the basic elements of the nuclear explosion appeared to be well understood and relationships for predicting the gross nuclear effects were presented. Since that time, additional work has been done and many of the concepts have been extended. For example, nuclear explosions have been conducted at greater depths and with much greater yields. The physical and chemical properties of the material in which the explosions occur have been more accurately measured and related to explosion effects. Interpretation of the new information seems to indicate that the earlier relationships are valid over the ranges of energy and depths for which data is available but that effects relating to cavity and chimney sizes or fracturing had been overestimated at great depths of burst and higher yields. (author)

  1. Underground nuclear explosions

    International Nuclear Information System (INIS)

    Higgins, Gary H.

    1970-01-01

    In the Third Plowshare Symposium, held in 1964, data from a number of nuclear explosions were presented. At that time the basic elements of the nuclear explosion appeared to be well understood and relationships for predicting the gross nuclear effects were presented. Since that time, additional work has been done and many of the concepts have been extended. For example, nuclear explosions have been conducted at greater depths and with much greater yields. The physical and chemical properties of the material in which the explosions occur have been more accurately measured and related to explosion effects. Interpretation of the new information seems to indicate that the earlier relationships are valid over the ranges of energy and depths for which data is available but that effects relating to cavity and chimney sizes or fracturing had been overestimated at great depths of burst and higher yields. (author)

  2. Graphene symmetry-breaking with molecular adsorbates: modeling and experiment

    Science.gov (United States)

    Groce, M. A.; Hawkins, M. K.; Wang, Y. L.; Cullen, W. G.; Einstein, T. L.

    2012-02-01

    Graphene's structure and electronic properties provide a framework for understanding molecule-substrate interactions and developing techniques for band gap engineering. Controlled deposition of molecular adsorbates can create superlattices which break the degeneracy of graphene's two-atom unit cell, opening a band gap. We simulate scanning tunneling microscopy and spectroscopy measurements for a variety of organic molecule/graphene systems, including pyridine, trimesic acid, and isonicotinic acid, based on density functional theory calculations using VASP. We also compare our simulations to ultra-high vacuum STM and STS results.

  3. MEMS-based Porous Silicon Preconcentrators Filled with Carbopack-B for Explosives Detection

    OpenAIRE

    Camara , El Hadji Malik; James , Franck; Breuil , Philippe; Pijolat , Christophe; Briand , Danick; De Rooij , Nicolaas F

    2014-01-01

    International audience; In this paper we report the detection of explosive compounds using a miniaturized gas preconcentrator (μGP) made of porous silicon (PS) filled in with Carbopack B as an adsorbent material. The μGP includes also a platinum heater patterned at the backside and fluidic connectors sealed on the glass cover. Our μGP is designed and optimized through fluidic and thermal simulations for meeting the requirements of trace explosives detection. The thermal mass of the device was...

  4. Explosives 92. Conference proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Farnfield, R.A. (ed.)

    1992-01-01

    17 papers are presented. Topics covered include: the POG system - a new concept in the use of ANFO; demolition of a motorway bridge; presplit and smooth blasting; VIBReX - a predictive code for assessing the effect of blast design on ground vibration; ground vibrations from blasting; digital seismographs; human response to blasting and the effects on planning conditions; landform construction by restoration blasting; use of small diameter explosives; efficient priming; safety management in the explosives industry; and the law on packaging of explosives. Two papers have been abstracted separately.

  5. Bicarbonate Elution of Uranium from Amidoxime-Based Polymer Adsorbents for Sequestering Uranium from Seawater

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Horng-Bin [Department of Chemistry, University of Idaho, Moscow, Idaho 83844 USA; Wai, Chien M. [Department of Chemistry, University of Idaho, Moscow, Idaho 83844 USA; Kuo, Li-Jung [Pacific Northwest National Laboratory, Marine Sciences Laboratory, Sequim, Washington 98382 USA; Gill, Gary [Pacific Northwest National Laboratory, Marine Sciences Laboratory, Sequim, Washington 98382 USA; Tian, Guoxin [Lawrence Berkeley National Laboratory, Berkeley, California 94720 USA; Rao, Linfeng [Lawrence Berkeley National Laboratory, Berkeley, California 94720 USA; Das, Sadananda [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 USA; Mayes, Richard T. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 USA; Janke, Christopher J. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 USA

    2017-05-02

    Uranium adsorbed on amidoxime-based polyethylene fibers in simulated seawater can be quantitatively eluted using 3 M KHCO3 at 40°C. Thermodynamic calculations are in agreement with the experimental observation that at high bicarbonate concentrations (3 M) uranyl ions bound to amidoxime molecules are converted to uranyl tris-carbonato complex in the aqueous solution. The elution process is basically the reverse reaction of the uranium adsorption process which occurs at a very low bicarbonate concentration (~10-3 M) in seawater. In real seawater experiments, the bicarbonate elution is followed by a NaOH treatment to remove natural organic matter adsorbed on the polymer adsorbent. Using the sequential bicarbonate and NaOH elution, the adsorbent is reusable after rinsing with deionized water and the recycled adsorbent shows no loss of uranium loading capacity based on real seawater experiments.

  6. Structures of adsorbed CO on atomically smooth and on stepped sngle crystal surfaces

    International Nuclear Information System (INIS)

    Madey, T.E.; Houston, J.E.

    1980-01-01

    The structures of molecular CO adsorbed on atomically smooth surfaces and on surfaces containing monatomic steps have been studied using the electron stimulated desorption ion angular distribution (ESDIAD) method. For CO adsorbed on the close packed Ru(001) and W(110) surfaces, the dominant bonding mode is via the carbon atom, with the CO molecular axis perpendicular to the plane of the surface. For CO on atomicaly rough Pd(210), and for CO adsorbed at step sites on four different surfaces vicinal to W(110), the axis of the molecule is tilted or inclined away from the normal to the surface. The ESDIAD method, in which ion desorption angles are related to surface bond angles, provides a direct determination of the structures of adsorbed molecules and molecular complexes on surfaces

  7. Heat transfer between adsorbate and laser-heated hot electrons

    International Nuclear Information System (INIS)

    Ueba, H; Persson, B N J

    2008-01-01

    Strong short laser pulses can give rise to a strong increase in the electronic temperature at metal surfaces. Energy transfer from the hot electrons to adsorbed molecules may result in adsorbate reactions, e.g. desorption or diffusion. We point out the limitations of an often used equation to describe the heat transfer process in terms of a friction coupling. We propose a simple theory for the energy transfer between the adsorbate and hot electrons using a newly introduced heat transfer coefficient, which depends on the adsorbate temperature. We calculate the transient adsorbate temperature and the reaction yield for a Morse potential as a function of the laser fluency. The results are compared to those obtained using a conventional heat transfer equation with temperature-independent friction. It is found that our equation of energy (heat) transfer gives a significantly lower adsorbate peak temperature, which results in a large modification of the reaction yield. We also consider the heat transfer between different vibrational modes excited by hot electrons. This mode coupling provides indirect heating of the vibrational temperature in addition to the direct heating by hot electrons. The formula of heat transfer through linear mode-mode coupling of two harmonic oscillators is applied to the recent time-resolved study of carbon monoxide and atomic oxygen hopping on an ultrafast laser-heated Pt(111) surface. It is found that the maximum temperature of the frustrated translation mode can reach high temperatures for hopping, even when direct friction coupling to the hot electrons is not strong enough

  8. The control and prevention of dust explosions

    Energy Technology Data Exchange (ETDEWEB)

    1982-01-01

    Papers presented discussed: explosion characteristics and hybrid mixtures explosion characteristics and influencing factors, propagation of dust explosions in ducts, prevention of dust explosions, desensitization, explosion-proof type of construction, explosion pressure relief, optical flame barriers, slide-valves for explosion protection, Ventex explosion barrier valves, grinding and mixing plants, spray driers, dust explosions in silos, and explosion-proof bucket elevators. One paper has been abstracted separately.

  9. Thermal explosion models

    Energy Technology Data Exchange (ETDEWEB)

    Ping, Tso Chin [Malaya Univ., Kuala Lumpur (Malaysia)

    1984-12-01

    The phenomenon of thermal explosion arises in several important safety problems, yet scientists are still baffled by its origin. This article reviews some of the models that have been proposed to explain the phenomenon.

  10. Thermal explosion models

    International Nuclear Information System (INIS)

    Tso Chin Ping

    1984-01-01

    The phenomenon of thermal explosion arises in several important safety problems, yet scientists are still baffled by its origin. This article reviews some of the models that have been proposed to explain the phenomenon. (author)

  11. Parametric Explosion Spectral Model

    Energy Technology Data Exchange (ETDEWEB)

    Ford, S R; Walter, W R

    2012-01-19

    Small underground nuclear explosions need to be confidently detected, identified, and characterized in regions of the world where they have never before occurred. We develop a parametric model of the nuclear explosion seismic source spectrum derived from regional phases that is compatible with earthquake-based geometrical spreading and attenuation. Earthquake spectra are fit with a generalized version of the Brune spectrum, which is a three-parameter model that describes the long-period level, corner-frequency, and spectral slope at high-frequencies. Explosion spectra can be fit with similar spectral models whose parameters are then correlated with near-source geology and containment conditions. We observe a correlation of high gas-porosity (low-strength) with increased spectral slope. The relationship between the parametric equations and the geologic and containment conditions will assist in our physical understanding of the nuclear explosion source.

  12. Ammonium nitrate explosion hazards

    Directory of Open Access Journals (Sweden)

    Negovanović Milanka

    2015-01-01

    Full Text Available Ammonium nitrate (AN primarily is used as a fertilizer but it is also very important compound in the production of industrial explosives. The application of ammonium nitrate in the production of industrial explosives was related with the early era of Nobel dynamite and widely increased with the appearance of blasting agents such as ANFO and Slurry, in the middle of the last Century. Throughout the world millions of tons of ammonium nitrate are produced annually and handled without incident. Although ammonium nitrate generally is used safely, accidental explosions involving AN have high impact resulting in loss of lives and destruction of property. The paper presents the basic properties of ammonium nitrate as well as hazards in handling of ammonium nitrate in order to prevent accidents. Several accidents with explosions of ammonium nitrate resulted in catastrophic consequences are listed in the paper as examples of non-compliance with prescribed procedures.

  13. Nuclear explosive driven experiments

    International Nuclear Information System (INIS)

    Ragan, C.E.

    1981-01-01

    Ultrahigh pressures are generated in the vicinity of a nuclear explosion. We have developed diagnostic techniques to obtain precise high pressures equation-of-state data in this exotic but hostile environment

  14. Shock waves & explosions

    CERN Document Server

    Sachdev, PL

    2004-01-01

    Understanding the causes and effects of explosions is important to experts in a broad range of disciplines, including the military, industrial and environmental research, aeronautic engineering, and applied mathematics. Offering an introductory review of historic research, Shock Waves and Explosions brings analytic and computational methods to a wide audience in a clear and thorough way. Beginning with an overview of the research on combustion and gas dynamics in the 1970s and 1980s, the author brings you up to date by covering modeling techniques and asymptotic and perturbative methods and ending with a chapter on computational methods.Most of the book deals with the mathematical analysis of explosions, but computational results are also included wherever they are available. Historical perspectives are provided on the advent of nonlinear science, as well as on the mathematical study of the blast wave phenomenon, both when visualized as a point explosion and when simulated as the expansion of a high-pressure ...

  15. Intermittent Explosive Disorder

    Science.gov (United States)

    ... explosive disorder involves repeated, sudden episodes of impulsive, aggressive, violent behavior or angry verbal outbursts in which you react grossly out of proportion to the situation. Road rage, domestic abuse, throwing or breaking objects, or other temper tantrums ...

  16. Explosive Components Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The 98,000 square foot Explosive Components Facility (ECF) is a state-of-the-art facility that provides a full-range of chemical, material, and performance analysis...

  17. Idaho Explosives Detection System

    International Nuclear Information System (INIS)

    Reber, Edward L.; Blackwood, Larry G.; Edwards, Andrew J.; Jewell, J. Keith; Rohde, Kenneth W.; Seabury, Edward H.; Klinger, Jeffery B.

    2005-01-01

    The Idaho Explosives Detection System was developed at the Idaho National Laboratory (INL) to respond to threats imposed by delivery trucks potentially carrying explosives into military bases. A full-scale prototype system has been built and is currently undergoing testing. The system consists of two racks, one on each side of a subject vehicle. Each rack includes a neutron generator and an array of NaI detectors. The two neutron generators are pulsed and synchronized. A laptop computer controls the entire system. The control software is easily operable by minimally trained staff. The system was developed to detect explosives in a medium size truck within a 5-min measurement time. System performance was successfully demonstrated with explosives at the INL in June 2004 and at Andrews Air Force Base in July 2004

  18. Idaho Explosives Detection System

    Energy Technology Data Exchange (ETDEWEB)

    Reber, Edward L. [Idaho National Laboratory, 2525 N. Freemont Ave., Idaho Falls, ID 83415-2114 (United States)]. E-mail: reber@inel.gov; Blackwood, Larry G. [Idaho National Laboratory, 2525 N. Freemont Ave., Idaho Falls, ID 83415-2114 (United States); Edwards, Andrew J. [Idaho National Laboratory, 2525 N. Freemont Ave., Idaho Falls, ID 83415-2114 (United States); Jewell, J. Keith [Idaho National Laboratory, 2525 N. Freemont Ave., Idaho Falls, ID 83415-2114 (United States); Rohde, Kenneth W. [Idaho National Laboratory, 2525 N. Freemont Ave., Idaho Falls, ID 83415-2114 (United States); Seabury, Edward H. [Idaho National Laboratory, 2525 N. Freemont Ave., Idaho Falls, ID 83415-2114 (United States); Klinger, Jeffery B. [Idaho National Laboratory, 2525 N. Freemont Ave., Idaho Falls, ID 83415-2114 (United States)

    2005-12-15

    The Idaho Explosives Detection System was developed at the Idaho National Laboratory (INL) to respond to threats imposed by delivery trucks potentially carrying explosives into military bases. A full-scale prototype system has been built and is currently undergoing testing. The system consists of two racks, one on each side of a subject vehicle. Each rack includes a neutron generator and an array of NaI detectors. The two neutron generators are pulsed and synchronized. A laptop computer controls the entire system. The control software is easily operable by minimally trained staff. The system was developed to detect explosives in a medium size truck within a 5-min measurement time. System performance was successfully demonstrated with explosives at the INL in June 2004 and at Andrews Air Force Base in July 2004.

  19. Intermittent Explosive Disorder

    Directory of Open Access Journals (Sweden)

    Lut Tamam

    2011-09-01

    Full Text Available Intermittent explosive disorder is an impulse control disorder characterized by the occurrence of discrete episodes of failure to resist aggressive impulses that result in violent assault or destruction of property. Though the prevalence intermittent explosive disorder has been reported to be relatively rare in frontier studies on the field, it is now common opinion that intermittent explosive disorder is far more common than previously thought especially in clinical psychiatry settings. Etiological studies displayed the role of both psychosocial factors like childhood traumas and biological factors like dysfunctional neurotransmitter systems and genetics. In differential diagnosis of the disorder, disorders involving agression as a symptom such as alcohol and drug intoxication, antisocial and borderline personality disorders, personality changes due to general medical conditions and behavioral disorder should be considered. A combination of pharmacological and psychotherapeutic approaches are suggested in the treatment of the disorder. This article briefly reviews the historical background, diagnostic criteria, epidemiology, etiology and treatment of intermittent explosive disorder.

  20. Iodine removal adsorbent histories, aging and regeneration

    International Nuclear Information System (INIS)

    Hunt, J.R.; Rankovic, L.; Lubbers, R.; Kovach, J.L.

    1976-01-01

    The experience of efficiency changes with life under various test conditions is described. The adsorbents were periodically removed from both standby and continuously operating systems and tested under various test methods for residual iodine adsorption efficiency. Adsorbent from several conventional ''sampler'' cartridges versus the bulk adsorbent was also tested showing deficiency in the use of cartridge type sampling. Currently required test conditions were found inadequate to follow the aging of the adsorbent because pre-equilibration of the sample acts as a regenerant and the sample is not tested in the ''as is'' condition. The most stringent test was found to be the ambient temperature, high humidity test to follow the aging of the adsorbent. Several methods were evaluated to regenerate used adsorbents; of these high temperature steaming and partial reimpregnation were found to produce adsorbents with near identical properties of freshly prepared adsorbents

  1. Structure of solid surfaces and of adsorbates by low-energy electron diffraction

    International Nuclear Information System (INIS)

    Somorjai, G.A.

    1977-01-01

    LEED theory has developed to the point where the diffraction beam intensities can be computed using the locations of the surface atoms as the only adjustable parameters. The position of atoms in many clean monatomic solid surfaces and the surface structures of ordered monolayers of adsorbed atoms have been determined this way. Surface crystallography studies are now extended to small hydrocarbon molecules that are adsorbed on metal surfaces. These studies are reviewed

  2. Atomic-Scale Control of Electron Transport through Single Molecules

    DEFF Research Database (Denmark)

    Wang, Y. F.; Kroger, J.; Berndt, R.

    2010-01-01

    Tin-phthalocyanine molecules adsorbed on Ag(111) were contacted with the tip of a cryogenic scanning tunneling microscope. Orders-of-magnitude variations of the single-molecule junction conductance were achieved by controllably dehydrogenating the molecule and by modifying the atomic structure...

  3. Supercritical fluid regeneration of adsorbents

    Science.gov (United States)

    Defilippi, R. P.; Robey, R. J.

    1983-05-01

    The results of a program to perform studies supercritical (fluid) carbon dioxide (SCF CO2) regeneration of adsorbents, using samples of industrial wastewaters from manufacturing pesticides and synthetic solution, and to estimate the economics of the specific wastewater treatment regenerations, based on test data are given. Processing costs for regenerating granular activated carbon GAC) for treating industrial wastewaters depend on stream properties and regeneration throughput.

  4. A study on vapor explosions

    International Nuclear Information System (INIS)

    Takagi, N.; Shoji, M.

    1979-01-01

    An experimental study was carried out for vapor explosions of molten tin falling in water. For various initial metal temperatures and subcooling of water, transient pressure of the explosions, relative frequency of the explosions and the position where the explosions occur were measured in detail. The influence of ambient pressure was also investigated. From the results, it was concluded that the vapor explosion is closely related to the collapse of a vapor film around the molten metal. (author)

  5. Molecule nanoweaver

    Science.gov (United States)

    Gerald, II; Rex, E [Brookfield, IL; Klingler, Robert J [Glenview, IL; Rathke, Jerome W [Homer Glen, IL; Diaz, Rocio [Chicago, IL; Vukovic, Lela [Westchester, IL

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  6. Adsorption of diclofenac and nimesulide on activated carbon: Statistical physics modeling and effect of adsorbate size

    Science.gov (United States)

    Sellaoui, Lotfi; Mechi, Nesrine; Lima, Éder Cláudio; Dotto, Guilherme Luiz; Ben Lamine, Abdelmottaleb

    2017-10-01

    Based on statistical physics elements, the equilibrium adsorption of diclofenac (DFC) and nimesulide (NM) on activated carbon was analyzed by a multilayer model with saturation. The paper aimed to describe experimentally and theoretically the adsorption process and study the effect of adsorbate size using the model parameters. From numerical simulation, the number of molecules per site showed that the adsorbate molecules (DFC and NM) were mostly anchored in both sides of the pore walls. The receptor sites density increase suggested that additional sites appeared during the process, to participate in DFC and NM adsorption. The description of the adsorption energy behavior indicated that the process was physisorption. Finally, by a model parameters correlation, the size effect of the adsorbate was deduced indicating that the molecule dimension has a negligible effect on the DFC and NM adsorption.

  7. Interaction of atomic hydrogen with ethylene adsorbed on nickel films

    International Nuclear Information System (INIS)

    Korchak, V.N.; Tret'yakov, I.I.; Kislyuk, M.U.

    1976-01-01

    The reactivity of ethylene adsorbed on the pure films of nickel at various temperatures was studied with respect to hydrogen atoms generated in the gaseous phase. The experiments were conducted in a glass vacuum apparatus enabling one to obtain the highest vacuum up to 2x20 -10 torr. The catalyst, nickel films, was produced by their deposition onto the walls of the glass reactor at a pressure of the residual gas of 10 -9 torr and a temperature of the walls of 25 deg C. Gas purity was analyzed by the mass spectrometric method. The ethylene adsorbed at the temperatures below 173 deg K reacted readily with the hydrogen atoms to yield ethane. The process ran without practically any activation energy involved and was limited by the attachment of the first hydrogen atom to the ethylene molecule. The efficiency of this interaction was 0.02 of the number of the hydrogen atoms collisions against the surface occupied by the ethylene. The adsorption of the ethylene at room and higher temperatures was accompanied by its disproportioning with the release of the hydrogen into the gaseous phase and a serious destruction of the ethylene molecules adsorbed to produce hydrogen residues interacting with neither molecular nor atomic hydrogen [ru

  8. Distribution of metal and adsorbed guest species in zeolites

    Energy Technology Data Exchange (ETDEWEB)

    Chmelka, B.F.

    1989-12-01

    Because of their high internal surface areas and molecular-size cavity dimensions, zeolites are used widely as catalysts, shape- selective supports, or adsorbents in a variety of important chemical processes. For metal-catalyzed reactions, active metal species must be dispersed to sites within the zeolite pores that are accessible to diffusing reactant molecules. The distribution of the metal, together with transport and adsorption of reactant molecules in zeolite powders, are crucial to ultimate catalyst performance. The nature of the metal or adsorbed guest distribution is known, however, to be dramatically dependent upon preparatory conditions. Our objective is to understand, at the molecular level, how preparatory treatments influence the distribution of guest species in zeolites, in order that macroscopic adsorption and reaction properties of these materials may be better understood. The sensitivity of xenon to its adsorption environment makes {sup 129}Xe NMR spectroscopy an important diagnostic probe of metal clustering and adsorbate distribution processes in zeolites. The utility of {sup 129}Xe NMR depends on the mobility of the xenon atoms within the zeolite-guest system, together with the length scale of the sample heterogeneity being studied. In large pore zeolites containing dispersed guest species, such as Pt--NaY, {sup 129}Xe NMR is insensitive to fine structural details at room temperature.

  9. Distribution of metal and adsorbed guest species in zeolites

    International Nuclear Information System (INIS)

    Chmelka, B.F.

    1989-12-01

    Because of their high internal surface areas and molecular-size cavity dimensions, zeolites are used widely as catalysts, shape- selective supports, or adsorbents in a variety of important chemical processes. For metal-catalyzed reactions, active metal species must be dispersed to sites within the zeolite pores that are accessible to diffusing reactant molecules. The distribution of the metal, together with transport and adsorption of reactant molecules in zeolite powders, are crucial to ultimate catalyst performance. The nature of the metal or adsorbed guest distribution is known, however, to be dramatically dependent upon preparatory conditions. Our objective is to understand, at the molecular level, how preparatory treatments influence the distribution of guest species in zeolites, in order that macroscopic adsorption and reaction properties of these materials may be better understood. The sensitivity of xenon to its adsorption environment makes 129 Xe NMR spectroscopy an important diagnostic probe of metal clustering and adsorbate distribution processes in zeolites. The utility of 129 Xe NMR depends on the mobility of the xenon atoms within the zeolite-guest system, together with the length scale of the sample heterogeneity being studied. In large pore zeolites containing dispersed guest species, such as Pt--NaY, 129 Xe NMR is insensitive to fine structural details at room temperature

  10. R-22 vapor explosions

    International Nuclear Information System (INIS)

    Anderson, R.P.; Armstrong, D.R.

    1977-01-01

    Previous experimental and theoretical studies of R-22 vapor explosions are reviewed. Results from two experimental investigations of vapor explosions in a medium scale R-22/water system are reported. Measurements following the drop of an unrestrained mass of R-22 into a water tank demonstrated the existence of two types of interaction behavior. Release of a constrained mass of R-22 beneath the surface of a water tank improved the visual resolution of the system thus allowing identification of two interaction mechansims: at low water temperatures, R-22/water contact would produce immediate violent boiling; at high water temperatures a vapor film formed around its R-22 as it was released, explosions were generated by a surface wave which initiated at a single location and propagated along the vapor film as a shock wave. A new vapor explosion model is proposed, it suggests explosions are the result of a sequence of three independent steps: an initial mixing phase, a trigger and growth phase, and a mature phase where a propagating shock wave accelerates the two liquids into a collapsing vapor layer causing a high velocity impact which finely fragments and intermixes the two liquids

  11. Dynamics of copper-phthalocyanine molecules on Au/Ge(001)

    NARCIS (Netherlands)

    Sotthewes, Kai; Heimbuch, Rene; Zandvliet, Henricus J.W.

    2015-01-01

    Spatially resolved current-time scanning tunneling spectroscopy combined with current-distance spectroscopy has been used to characterize the dynamic behavior of copper-phthalocyanine (CuPc) molecules adsorbed on a Au-modified Ge(001) surface. The analyzed CuPc molecules are adsorbed in a “molecular

  12. Probing the dynamics of 3He atoms adsorbed on MCM-41 with pulsed NMR

    Science.gov (United States)

    Huan, C.; Masuhara, N.; Adams, J.; Lewkowitz, M.; Sullivan, N. S.

    2018-03-01

    We report measurements of the nuclear spin-spin and spin-lattice relaxation times for 3He adsorbed on MCM-41 for temperatures 0.08 < T < 1.2 K. Deviations from Curie behavior are observed at low temperatures. The relaxation times exhibit a two-component behavior representing the differing dynamics of the mobile quasi-free molecules in the center of the tubes compared to the adsorbed layer on the walls. The amplitudes of the two components provide an accurate measure of the number of fluid-like molecules traveling in the center of the nanotubes.

  13. Novel high explosive compositions

    Science.gov (United States)

    Perry, D.D.; Fein, M.M.; Schoenfelder, C.W.

    1968-04-16

    This is a technique of preparing explosive compositions by the in-situ reaction of polynitroaliphatic compounds with one or more carboranes or carborane derivatives. One or more polynitroaliphatic reactants are combined with one or more carborane reactants in a suitable container and mixed to a homogeneous reaction mixture using a stream of inert gas or conventional mixing means. Ordinarily the container is a fissure, crack, or crevice in which the explosive is to be implanted. The ratio of reactants will determine not only the stoichiometry of the system, but will effect the quality and quantity of combustion products, the explosive force obtained as well as the impact sensitivity. The test values can shift with even relatively slight changes or modifications in the reaction conditions. Eighteen illustrative examples accompany the disclosure. (46 claims)

  14. Explosive material treatment in particular the explosive compaction of powders

    International Nuclear Information System (INIS)

    Pruemmer, R.

    1985-01-01

    The constructive use of explosives in the last decades has led to new procedures in manufacturing techniques. The most important of these are explosive forming and cladding, the latter especially for the production of compound materials. The method of explosive compaction has the highest potential for further innovation. Almost theoretical densities are achievable in the green compacts as the pressure released by detonating explosives are very high. Also, the production of new conditions of materials (metastable high pressure phases) is possible. (orig.) [de

  15. 75 FR 1085 - Commerce in Explosives; List of Explosive Materials (2009R-18T)

    Science.gov (United States)

    2010-01-08

    ... sensitive slurry and water gel explosives. Blasting caps. Blasting gelatin. Blasting powder. BTNEC [bis.... Explosive conitrates. Explosive gelatins. Explosive liquids. Explosive mixtures containing oxygen-releasing... powder. Fulminate of mercury. Fulminate of silver. Fulminating gold. Fulminating mercury. Fulminating...

  16. 75 FR 70291 - Commerce in Explosives; List of Explosive Materials (2010R-27T)

    Science.gov (United States)

    2010-11-17

    ..., including non-cap sensitive slurry and water gel explosives. Blasting caps. Blasting gelatin. Blasting.... Explosive conitrates. Explosive gelatins. Explosive liquids. Explosive mixtures containing oxygen-releasing... powder. Fulminate of mercury. Fulminate of silver. Fulminating gold. Fulminating mercury. Fulminating...

  17. Explosive composition containing water

    Energy Technology Data Exchange (ETDEWEB)

    Cattermole, G.R.; Lyerly, W.M.; Cummings, A.M.

    1971-11-26

    This addition to Fr. 1,583,223, issued 31 May 1968, describes an explosive composition containing a water in oil emulsion. The composition contains an oxidizing mineral salt, a nitrate base salt as sensitizer, water, an organic fuel, a lipophilic emulsifier, and incorporates gas bubbles. The composition has a performance which is improved over and above the original patent.

  18. 75 FR 5545 - Explosives

    Science.gov (United States)

    2010-02-03

    ... the Storage of Ammonium Nitrate. OSHA subsequently made several minor revisions to the standard (37 FR... explosives; storing ammonium nitrate; and storing small arms ammunition, small arms primers, and small arms..., which is extremely widespread, causes lung disease, silicosis and lung cancer. Terminating the...

  19. New slurry explosives

    Energy Technology Data Exchange (ETDEWEB)

    Kale, D.C.

    1982-12-01

    Mining engineers will soon have an additional 2 or 3 types of explosives which increase rock yield without increasing cost. A new variety of Ammonium Nitrate and Fuel Oil (ANFO), which is much heavier and more powerful, is being introduced in the US. New types of NCN (nitrocarbonitrate) blasting agents have also been developed.

  20. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 4. Molecule Matters – van der Waals Molecules - History and Some Perspectives on Intermolecular Forces. E Arunan. Feature Article Volume 14 Issue 4 April 2009 pp 346-356 ...

  1. A novel fiber-based adsorbent technology

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, T.A. [Chemica Technologies, Inc., Bend, OR (United States)

    1997-10-01

    In this Phase I Small Business Innovation Research program, Chemica Technologies, Inc. is developing an economical, robust, fiber-based adsorbent technology for removal of heavy metals from contaminated water. The key innovation is the development of regenerable adsorbent fibers and adsorbent fiber cloths that have high capacity and selectivity for heavy metals and are chemically robust. The process has the potential for widespread use at DOE facilities, mining operations, and the chemical process industry.

  2. Equilibrium and heat of adsorption of diethyl phthalate on heterogeneous adsorbents

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, W.M.; Xu, Z.W.; Pan, B.C.; Hong, C.H.; Jia, K.; Jiang, P.J.; Zhang, Q.J.; Pan, B.J. [Nanjing University, Nanjing (China)

    2008-09-15

    Removal of phthalate esters from water has been of considerable concern recently. In the present study, the adsorptive removal performance of diethyl phthalate (DEP) from water was investigated with the aminated polystyrene resin (NDA-101) and oxidized polystyrene resin (NDA-702). In addition, the commercial homogeneous polystyrene resin (XAD-4) and acrylic ester resin (Amberlite XAD-7) as well as coal-based granular activated carbon (AC-750) were chosen for comparison. The corresponding equilibrium isotherms are well described by the Freundlich equation and the adsorption capacities for DEP followed the order NDA-702 > NDA-101 > AC-750 > XAD-4 > XAD-7. Analysis of adsorption mechanisms suggested that these adsorbents spontaneously adsorb DEP molecules driven mainly by enthalpy change, and the adsorption process was derived by multiple adsorbent-adsorbate interactions such as hydrogen bonding, {pi}-{pi} stacking, and micropore filling. The information related to the adsorbent surface heterogeneity and the adsorbate-adsorbate interaction was obtained by Do's model. All the results indicate that heterogeneous resins NDA-702 and NDA-101 have excellent potential as an adsorption material for the removal of DEP from the contaminated water.

  3. Magnetic susceptibility of oxygen adsorbed on the surface of spherical and fibrous activated carbon.

    Directory of Open Access Journals (Sweden)

    Kiyoshi Kawamura

    2009-02-01

    Full Text Available The magnetic susceptibilities of oxygen adsorbed on the surface of bead-shaped activated carbon and activated carbon fibers were evaluated as a function of temperature between 4.2 K and 300 K, and found to exhibit a sharp peak at around 50 K. This implies that the adsorbed oxygen molecules form an antiferromagnetic state. The relation between the susceptibility and the adsorbed mass suggest that the thickness of the adsorbed oxygen is thin enough to consider a two-dimensional structure for bead–shaped activated carbon and carbon fibers across the fiber axis but thick enough to regard it as three-dimensional along the fiber axis. The result is discussed with reference to the study on one-dimensional oxygen array.

  4. Electronic properties of adsorbates and clean surfaces of metals and semiconductors

    International Nuclear Information System (INIS)

    Lecante, J.

    1980-01-01

    This paper surveys recent progress in experimental studies on electronic properties of adsorbates and clean metal surfaces. Electron spectroscopy and particularly angle resolved photoelectron spectroscopy appears to be a very powerful tool to get informations on electronic levels of adsorbates or clean surfaces. Moreover this technique may also give informations about the atomic geometry of the surface. Experimental investigation about surface plasmons, surface states, core level shifts are presented for clean surfaces. As examples of adsorbate covered surfaces two typical cases are chosen: two dimensional band structure and oriented molecules. Finally the photoelectron diffraction may be used for surface structure determination either in the case of an adsorbate or a clean metal surface [fr

  5. Structure of adsorbed monolayers. The surface chemical bond

    International Nuclear Information System (INIS)

    Somorjai, G.A.; Bent, B.E.

    1984-06-01

    This paper attempts to provide a summary of what has been learned about the structure of adsorbed monolayers and about the surface chemical bond from molecular surface science. While the surface chemical bond is less well understood than bonding of molecules in the gas phase or in the solid state, our knowledge of its properties is rapidly accumulating. The information obtained also has great impact on many surface science based technologies, including heterogeneous catalysis and electronic devices. It is hoped that much of the information obtained from studies at solid-gas interfaces can be correlated with molecular behavior at solid-liquid interfaces. 31 references, 42 figures, 1 table

  6. Structure formation in bis(terpyridine) derivative adlayers: molecule-substrate versus molecule-molecule interactions.

    Science.gov (United States)

    Hoster, Harry E; Roos, Matthias; Breitruck, Achim; Meier, Christoph; Tonigold, Katrin; Waldmann, Thomas; Ziener, Ulrich; Landfester, Katharina; Behm, R Jürgen

    2007-11-06

    The influence of the substrate and the deposition conditions-vapor deposition versus deposition from solution-on the structures formed upon self-assembly of deposited bis(terpyridine) derivative (2,4'-BTP) monolayers on different hexagonal substrates, including highly oriented pyrolytic graphite (HOPG), Au(111), and (111)-oriented Ag thin films, was investigated by high-resolution scanning tunneling microscopy and by model calculations of the intermolecular energies and the lateral corrugation of the substrate-adsorbate interaction. Similar quasi-quadratic network structures with almost the same lattice constants obtained on all substrates are essentially identical to the optimum configuration expected from an optimization of the adlayer structure with C-H...N-type bridging bonds as a structure-determining factor, which underlines a key role of the intermolecular interactions in adlayer order. Slight distortions from the optimum values to form commensurate adlayer structures on the metal substrates and the preferential orientation of the adlayer with respect to the substrate are attributed to the substrate-adsorbate interactions, specifically, the lateral corrugation in the substrate-adsorbate interaction upon lateral displacement and rotation of the adsorbed BTP molecules. The fact that similar adlayer structures are obtained on HOPG under ultrahigh vacuum conditions (solid|gas interface) and on HOPG in trichlorobenzene (solid|liquid interface) indicates that the intermolecular interactions are not severely affected by the solvent.

  7. Neutron scattering from adsorbed species

    International Nuclear Information System (INIS)

    Shuwang An

    1998-01-01

    Neutron reflection has been used to investigate the structure of layers of water-soluble diblock copolymers poly(2-(dimethylamino)ethyl methacrylate-block-methyl methacrylate (poly(DMAEMA-b-MMA)) (70 mol% DMAEMA, M n = 10k, 80 mol% DMAEMA, M n = 10k, and 70 mol% DMAEMA, M n = 20k) adsorbed at the air-liquid and solid-liquid interfaces. The surface tension behaviour of these copolymers at the air-liquid interface has also been investigated. The study of the structure of layers of poly(DMAEMA-b-MMA) adsorbed at the air-water interface forms the main part of the thesis. The surface structure, the effects of pH and ionic strength, and the effects of composition and molecular weight of the copolymers have been studied systematically. For the 70%-10k copolymer at pH 7.5, the adsorption isotherm shows that there is a surface phase transition. The concentration of copolymer at which the phase transition occurs is close to that at which micellar aggregation in the bulk solution also occurs. At low concentrations (below the CMC), the two blocks of the copolymer are approximately uniformly distributed in the direction normal to the interface and the layer is partially immersed in water. At high concentrations (above the CMC), the adsorbed layer has a cross-sectional structure resembling that expected for a micelle with the majority of the MMA blocks forming the core. The outer layers, comprising predominantly DMAEMA blocks, are not equivalent, being more highly extended on the aqueous side of the interface. The effects of pH and added electrolyte on the structure of layers of the 70%-10k copolymer show that the layered structure is promoted by any changes in the bulk solution that enhance the surface coverage but is inhibited by an increase in the fractional charge on the polyelectrolyte part of the copolymer. The effect of lowering the pH is to increase the positive charge on the weak polyelectrolyte block. Addition of electrolyte generally enhances the amount adsorbed and

  8. Organic adsorbates on metal surfaces. PTCDA and NTCDA on AG(110)

    Energy Technology Data Exchange (ETDEWEB)

    Abbasi, Afshin

    2010-02-22

    Polyaromatic molecules functionalized with carboxylic groups have served as model systems for the growth of organic semiconducting films on a large variety of substrates. Most non-reactive substrates allow for a growth mode compatible with the bulk phase of the molecular crystal with two molecules in the unit cell, but some more reactive substrates including Ag(111) and Ag(110) can induce substantial changes in the first monolayer (ML). In the specific case of Ag(110), the adsorbate unit cell of both NTCDA and PTCDA resembles a brickwall structure, with a single molecule in the unit cell. From this finding, it can be concluded that the adsorbate-substrate interaction is stronger than typical inter-molecular binding energies in the respective bulk phases. In the present work, the interactions between small Ag(110) clusters and a single NTCDA or PTCDA molecule are investigated with different ab initio techniques. Four major ingredients contribute to the binding between adsorbate and substrate: Directional bonds between Ag atoms in the topmost layer and the oxygen atoms of the molecule, Pauli repulsion between filled orbitals of molecule and substrate, an attractive van-der-Waals interaction, and a negative net charge on the molecule inducing positive image charges in the substrate, resulting therefore in an attractive Coulomb interaction between these opposite charges. As both Hartree-Fock theory and density functional theory with typical gradient-corrected density functional do not contain any long range correlation energy required for dispersion interactions, we compare these approaches with the fastest numerical technique where the leading term of the van-der-Waals interaction is included, i.e. second order Moeller-Plesset theory (MP2). Both Hartree-Fock and density functional theory result in bended optimized geometries where the adsorbate is interacting mainly via the oxygen atoms, with the core of the molecule repelled from the substrate. Only at the MP2 level

  9. Filter-adsorber aging assessment

    Energy Technology Data Exchange (ETDEWEB)

    Winegardner, W.K. [Pacific Northwest Laboratory, Richland, WA (United States)

    1995-02-01

    An aging assessment of high-efficiency particulate (HEPA) air filters and activated carbon gas adsorption units was performed by the Pacific Northwest Laboratory as part of the U.S. Nuclear Regulatory Commission`s (USNRC) Nuclear Plant Aging Research (NPAR) Program. This evaluation of the general process in which characteristics of these two components gradually change with time or use included the compilation of information concerning failure experience, stressors, aging mechanisms and effects, and inspection, surveillance, and monitoring methods (ISMM). Stressors, the agents or stimuli that can produce aging degradation, include heat, radiation, volatile contaminants, and even normal concentrations of aerosol particles and gasses. In an experimental evaluation of degradation in terms of the tensile breaking strength of aged filter media specimens, over forty percent of the samples did not meet specifications for new material. Chemical and physical reactions can gradually embrittle sealants and gaskets as well as filter media. Mechanisms that can lead to impaired adsorber performance are associated with the loss of potentially available active sites as a result of the exposure of the carbon to airborne moisture or volatile organic compounds. Inspection, surveillance, and monitoring methods have been established to observe filter pressure drop buildup, check HEPA filters and adsorbers for bypass, and determine the retention effectiveness of aged carbon. These evaluations of installed filters do not reveal degradation in terms of reduced media strength but that under normal conditions aged media can continue to effectively retain particles. However, this degradation may be important when considering the likelihood of moisture, steam, and higher particle loadings during severe accidents and the fact it is probable that the filters have been in use for an extended period.

  10. Miscibility and interaction between 1-alkanol and short-chain phosphocholine in the adsorbed film and micelles.

    Science.gov (United States)

    Takajo, Yuichi; Matsuki, Hitoshi; Kaneshina, Shoji; Aratono, Makoto; Yamanaka, Michio

    2007-09-01

    The miscibility and interaction of 1-hexanol (C6OH) and 1-heptanol (C7OH) with 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC) in the adsorbed films and micelles were investigated by measuring the surface tension of aqueous C6OH-DHPC and aqueous C7OH-DHPC solutions. The surface density, the mean molecular area, the composition of the adsorbed film, and the excess Gibbs energy of adsorption g(H,E), were estimated. Further, the critical micelle concentration of the mixtures was determined from the surface tension versus molality curves; the micellar composition was calculated. The miscibility of the 1-alkanols and DHPC molecules in the adsorbed film and micelles was examined using the phase diagram of adsorption (PDA) and that of micellization (PDM). The PDA and the composition dependence of g(H,E) indicated the non-ideal mixing of the 1-alkanols and DHPC molecules due to the attractive interaction between the molecules in the adsorbed film, while the PDM indicated that the 1-alkanol molecules were not incorporated in the micelles within DHPC rich region. The dependence of the mean molecular area of the mixtures on the surface composition suggested that the packing property of the adsorbed film depends on the chain length of 1-alkanol: C6OH expands the DHPC adsorbed film more than C7OH.

  11. Complete braided adsorbent for marine testing to demonstrate 3g-U/kg-adsorbent

    Energy Technology Data Exchange (ETDEWEB)

    Janke, Chris [ORNL; Yatsandra, Oyola [ORNL; Mayes, Richard [ORNL; none,; Gill, Gary [PNNL; Li-Jung, Kuo [PNNL; Wood, Jordana [PNNL; Sadananda, Das [ORNL

    2014-04-30

    ORNL has manufactured four braided adsorbents that successfully demonstrated uranium adsorption capacities ranging from 3.0-3.6 g-U/kg-adsorbent in marine testing at PNNL. Four new braided and leno woven fabric adsorbents have also been prepared by ORNL and are currently undergoing marine testing at PNNL.

  12. Interstellar Molecules

    Science.gov (United States)

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  13. Theoretical and experimental study of the vibrational excitations in ethane monolayers adsorbed on graphite (0001) surfaces

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Taub, H.

    1987-01-01

    The collective vibrational excitations of two different crystalline monolayer phases of ethane (C2H6) adsorbed on the graphite (0001) surface have been investigated theoretically and experimentally. The monolayer phases studied are the commensurate 7/8 ×4 structure in which the ethane molecules lie...

  14. Services Textbook of Explosives

    Science.gov (United States)

    1972-03-01

    the propagation in such systems of the detonation wave which had been observed in 1881 by Berthelot and Vieille and by Mallard and le Chatelier . In...detonation, Berthelot and Le Chatelier , Dautrich 4 - 63: Calorometric value 4 -- 66, Power of explosive, lead block, Trauzl 4 - 67- Ballistic pendulum 4...the principles of electric ignition were applied to this system also. 75. In 1890-91 Curtius first prepared lead, silver and mercury azides. The

  15. Thermodynamics of gas adsorption on solid adsorbents

    International Nuclear Information System (INIS)

    Budrugeac, P.

    1979-01-01

    Starting with several hypotheses about the adsorbtion system and the adsorption phenomenon, a thermodynamic treatment of gas adsorption on solid adsorbants is presented. The relationships for determination from isotherms and calorimetric data of thermodynamic functions are derived. The problem of the phase changes in adsorbed layer is discussed. (author)

  16. Infrared spectroscopic and voltammetric study of adsorbed CO on stepped surfaces of copper monocrystalline electrodes

    International Nuclear Information System (INIS)

    Koga, O.; Teruya, S.; Matsuda, K.; Minami, M.; Hoshi, N.; Hori, Y.

    2005-01-01

    Voltammetric and infrared (IR) spectroscopic measurements were carried out to study adsorbed CO on two series of copper single crystal electrodes n(111)-(111) and n(111)-(100) in 0.1M KH 2 PO 4 +0.1M K 2 HPO 4 at 0 o C. Reversible voltammetric waves were observed below -0.55V versus SHE for adsorption of CO which displaces preadsorbed phosphate anions. The electric charge of the redox waves is proportional to the step atom density for both single crystal series. This fact indicates that phosphate anions are specifically adsorbed on the step sites below -0.55V versus SHE. Voltammetric measurements indicated that (111) terrace of Cu is covered with adsorbed CO below -0.5V versus SHE. Nevertheless, no IR absorption band of adsorbed CO is detected from (111) terrace. Presence of adsorbed CO on (111) terrace is presumed which is not visible by the potential difference spectroscopy used in the present work. IR spectroscopic measurements showed that CO is reversibly adsorbed with an on-top manner on copper single crystal electrodes of n(111)-(111) and n(111)-(100) with approximately same wavenumber of C?O stretching vibration of 2070cm -1 . The IR band intensity is proportional to the step atom density. Thus CO is adsorbed on (111) or (100) steps on the single crystal surfaces. An analysis of the IR band intensity suggested that one CO molecule is adsorbed on every two or more Cu step atom of the monocrystalline surface. The spectroscopic data were compared with those reported for uhv system. The C-O stretching wavenumber of adsorbed CO in the electrode-electrolyte system is 30-40cm -1 lower than those in uhv system

  17. Explosive Leidenfrost droplets

    Science.gov (United States)

    Colinet, Pierre; Moreau, Florian; Dorbolo, Stéphane

    2017-11-01

    We show that Leidenfrost droplets made of an aqueous solution of surfactant undergo a violent explosion in a wide range of initial volumes and concentrations. This unexpected behavior turns out to be triggered by the formation of a gel-like shell, followed by a sharp temperature increase. Comparing a simple model of the radial surfactant distribution inside a spherical droplet with experiments allows highlighting the existence of a critical surface concentration for the shell to form. The temperature rise (attributed to boiling point elevation with surface concentration) is a key feature leading to the explosion, instead of the implosion (buckling) scenario reported by other authors. Indeed, under some conditions, this temperature increase is shown to be sufficient to trigger nucleation and growth of vapor bubbles in the highly superheated liquid bulk, stretching the surrounding elastic shell up to its rupture limit. The successive timescales characterizing this explosion sequence are also discussed. Funding sources: F.R.S. - FNRS (ODILE and DITRASOL projects, RD and SRA positions of P. Colinet and S. Dorbolo), BELSPO (IAP 7/38 MicroMAST project).

  18. The interaction of linear and ring forms of DNA molecules with nanodiamonds synthesized by detonation

    International Nuclear Information System (INIS)

    Purtov, K V; Burakova, L P; Puzyr, A P; Bondar, V S

    2008-01-01

    Nanodiamonds synthesized by detonation have been found not to immobilize the ring form of pUC19 plasmid DNA. Linear pUC19 molecules with blunt ends, prepared by restriction of the initial ring form of pUC19 DNA, and linear 0.25-10 kb DNA fragments are adsorbed on nanodiamonds. The amount of adsorbed linear DNA molecules depends on the size of the molecules and the size of the nanodiamond clusters

  19. Imaging and manipulation of a polar molecule on Ag(111)

    DEFF Research Database (Denmark)

    Lin, R.; Braun, K.F.; Tang, H.

    2001-01-01

    A scanning tunneling microscope (STM) was applied to image and laterally manipulate isolated phosphangulene molecules on Ag(111) at 6 K. Atomic-resolution images clearly revealed three characteristic types of appearances (three-lobed, fish and bump shape) for the adsorbed molecules, which could...

  20. The effect of explosive percentage on underwater explosion energy release of hexanitrohexaazaisowurtzitane and octogen based aluminized explosives

    OpenAIRE

    Qingjie Jiao; Qiushi Wang; Jianxin Nie; Xueyong Guo; Wei Zhang; Wenqi Fan

    2018-01-01

    To control the explosion energy output by optimizing explosive components is a key requirement in a number of different application areas. The effect of different Al/O Ratio on underwater explosion of aluminized explosives has been studied detailedly. However, the effect of explosive percentage in the same Al/O Ratio is rarely researched, especially for Hexanitrohexaazaisowurtzitane (CL-20) based aluminized explosives. In this study, we performed the underwater explosion experiments with 1.2-...

  1. Analysis of Adsorbate-Adsorbate and Adsorbate-Adsorbent Interactions to Decode Isosteric Heats of Gas Adsorption.

    Science.gov (United States)

    Madani, S Hadi; Sedghi, Saeid; Biggs, Mark J; Pendleton, Phillip

    2015-12-21

    A qualitative interpretation is proposed to interpret isosteric heats of adsorption by considering contributions from three general classes of interaction energy: fluid-fluid heat, fluid-solid heat, and fluid-high-energy site (HES) heat. Multiple temperature adsorption isotherms are defined for nitrogen, T=(75, 77, 79) K, argon at T=(85, 87, 89) K, and for water and methanol at T=(278, 288, 298) K on a well-characterized polymer-based, activated carbon. Nitrogen and argon are subjected to isosteric heat analyses; their zero filling isosteric heats of adsorption are consistent with slit-pore, adsorption energy enhancement modelling. Water adsorbs entirely via specific interactions, offering decreasing isosteric heat at low pore filling followed by a constant heat slightly in excess of water condensation enthalpy, demonstrating the effects of micropores. Methanol offers both specific adsorption via the alcohol group and non-specific interactions via its methyl group; the isosteric heat increases at low pore filling, indicating the predominance of non-specific interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Inorganic chemically active adsorbents (ICAAs)

    Energy Technology Data Exchange (ETDEWEB)

    Ally, M.R. [Oak Ridge National Lab., TN (United States); Tavlarides, L.

    1997-10-01

    Oak Ridge National Laboratory (ORNL) researchers are developing a technology that combines metal chelation extraction technology and synthesis chemistry. They begin with a ceramic substrate such as alumina, titanium oxide or silica gel because they provide high surface area, high mechanical strength, and radiolytic stability. One preparation method involves silylation to hydrophobize the surface, followed by chemisorption of a suitable chelation agent using vapor deposition. Another route attaches newly designed chelating agents through covalent bonding by the use of coupling agents. These approaches provide stable and selective, inorganic chemically active adsorbents (ICAAs) tailored for removal of metals. The technology has the following advantages over ion exchange: (1) higher mechanical strength, (2) higher resistance to radiation fields, (3) higher selectivity for the desired metal ion, (4) no cation exchange, (5) reduced or no interference from accompanying anions, (6) faster kinetics, and (7) easy and selective regeneration. Target waste streams include metal-containing groundwater/process wastewater at ORNL`s Y-12 Plant (multiple metals), Savannah River Site (SRS), Rocky Flats (multiple metals), and Hanford; aqueous mixed wastes at Idaho National Engineering Laboratory (INEL); and scrubber water generated at SRS and INEL. Focus Areas that will benefit from this research include Mixed Waste, and Subsurface Contaminants.

  3. Studies of ethylene hydrogenation and of adsorbed C/sub 2/H/sub 4/ and H/sub 2/ on chromia and lanthana catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Khodakov, Y.S.; Makarov, P.A.; Delzer, G.; Minachev, K.M.

    1980-01-01

    Temperature-programed desorption of ethylene or hydrogen adsorbed at -78/sup 0/, -68/sup 0/, and +20/sup 0/C on chromic oxide, a 1:7 chromic oxide/alumina catalyst prepared by impregnation, alumina, and lanthanum oxide pretreated at 400/sup 0/-900/sup 0/C in vacuo showed that ethylene adsorbed on these oxides on three different sites from which it desorbed at -40/sup 0/ to +10/sup 0/C, at 50/sup 0/-100/sup 0/C, and at 350/sup 0/-400/sup 0/C; and that hydrogen adsorbed only on the latter two sites. One preadsorbed ethylene molecule was displaced at room temperature by 16 molecules of carbon monoxide, 79 molecules of carbon dioxide, or 135 molecules of water. Hydrogen was displaced at lower temperature. The nature of the surface sites and of the adsorbed species, and their reactivities are discussed.

  4. sup(60)Co hot atom chemistry of tris(acetylacetonato) cobalt(III) adsorbed on silica gel

    International Nuclear Information System (INIS)

    Nishioji, H.; Sakai, Y.; Tominaga, T.

    1985-01-01

    The sup(60)Co hot atom reactions were studied in tris(acetylacetonato)cobalt(III) adsorbed on silica gel surface. sup(57)Fe Moessbauer spectra of tris(acetylacetonato)iron(III) in the corresponding system were also measured in order to examine the state of dispersion of complex molecules on silica gel. The retention formation processes were discussed in terms of the dependence of sup(60)Co retention on the adsorbed amount (concentration) of cobalt(III) complexes. (author)

  5. Theory and simulation of epitaxial rotation. Light particles adsorbed on graphite

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, P.-A.

    1993-01-01

    We present a theory and Monte Carlo simulations of adsorbed particles on a corrugated substrate. We have focused on the case of rare gases and light molecules, H-2 and D2, adsorbed on graphite. The competition between the particle-particle and particle-substrate interactions gives rise to frustra...... found a modulated 4 x 4 structure. Energy, structure-factor intensities, peak positions, and epitaxial rotation angles as a function of temperature and coverage have been determined from the simulations. Good agreement with theory and experimental data is found.......We present a theory and Monte Carlo simulations of adsorbed particles on a corrugated substrate. We have focused on the case of rare gases and light molecules, H-2 and D2, adsorbed on graphite. The competition between the particle-particle and particle-substrate interactions gives rise...... between the commensurate and incommensurate phase for the adsorbed systems. From our simulations and our theory, we are, able to understand the gamma phase of D2 as an ordered phase stabilized by disorder. It can be described as a 2q-modulated structure. In agreement with the experiments, we have also...

  6. Adhesion molecules

    CERN Document Server

    Preedy, Victor R

    2016-01-01

    This book covers the structure and classification of adhesion molecules in relation to signaling pathways and gene expression. It discusses immunohistochemical localization, neutrophil migration, and junctional, functional, and inflammatory adhesion molecules in pathologies such as leukocyte decompression sickness and ischemia reperfusion injury. Highlighting the medical applications of current research, chapters cover diabetes, obesity, and metabolic syndrome; hypoxia; kidney disease; smoking, atrial fibrillation, and heart disease, the brain and dementia; and tumor proliferation. Finally, it looks at molecular imaging and bioinformatics, high-throughput technologies, and chemotherapy.

  7. Explosive processes in nucleosynthesis

    International Nuclear Information System (INIS)

    Boyd, R.N.

    2002-01-01

    There are many explosive processes in nucleosynthesis: big bang nucleosynthesis, the rp-process, the γ-process, the ν-process, and the r-process. However, I will discuss just the rp-process and the r-process in detail, primarily because both seem to have been very active research areas of late, and because they have great potential for studies with radioactive nuclear beams. I will also discuss briefly the γ-process because of its inevitability in conjunction with the rp-process. (orig.)

  8. SLIFER measurement for explosive yield

    International Nuclear Information System (INIS)

    Bass, R.C.; Benjamin, B.C.; Miller, H.M.; Breding, D.R.

    1976-04-01

    This report describes the shorted location indicator by frequency of electrical resonance (SLIFER) system used at Sandia Laboratories for determination of explosive yield of under ground nuclear tests

  9. Zirconium hydride containing explosive composition

    Science.gov (United States)

    Walker, Franklin E.; Wasley, Richard J.

    1981-01-01

    An improved explosive composition is disclosed and comprises a major portion of an explosive having a detonation velocity between about 1500 and 10,000 meters per second and a minor amount of a donor additive comprising a non-explosive compound or mixture of non-explosive compounds which when subjected to an energy fluence of 1000 calories/cm.sup.2 or less is capable of releasing free radicals each having a molecular weight between 1 and 120. Exemplary donor additives are dibasic acids, polyamines and metal hydrides.

  10. SFG investigation of adsorbed CO and NO on NiO(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Bandara, Athula; Dobashi, Shinsaku; Kubota, Jun; Onda, Ken; Wada, Akihide; Domen, Kazunari; Hirose, Chiaki [Tokyo Inst. of Tech., Yokohama (Japan). Research Lab. of Resources Utilization; Kano, S.S.

    1997-07-01

    Adsorption structures of CO and NO on the NiO(111) film grown on Ni(111) crystal have been investigated by sum frequency generation (SFG) spectroscopy and infrared reflection absorption spectroscopy (IRAS). The CO stretching band of adsorbed CO on NiO(111) was observed at 2144 cm{sup -1} on the SFG spectra for both p- and s-polarized visible light. However, adsorbed NO on NiO(111) was observed at 1805 cm{sup -1} on the SFG spectra only for the p-polarized visible light. The results suggest that the adsorbed CO molecule was tilted from the surface normal but the NO molecule was perpendicular to the surface. These orientations of CO and NO reflect the surface structure of NiO(111) which has (2 x 2)-reconstructed microfacets. Adsorption of CO on Ni(111) instead of NiO(111) was also examined by SFG and IRAS. Absorption bands due to linear and bridged CO were observed at 2076 and 1918 cm{sup -1}, respectively, by IRAS. On the other hand, the linear CO molecules on Ni(111) gave an SFG peak at 2076 cm{sup -1} only for the p-polarized visible light indicating the CO molecules are perpendicular to the surface, and bridged CO molecules did not give any SFG signal. The absence of the bridged CO signal is believed to be due to the smaller Raman tensor of bridged CO. (author)

  11. SFG investigation of adsorbed CO and NO on NiO(111) surface

    International Nuclear Information System (INIS)

    Bandara, Athula; Dobashi, Shinsaku; Kubota, Jun; Onda, Ken; Wada, Akihide; Domen, Kazunari; Hirose, Chiaki; Kano, S.S.

    1997-01-01

    Adsorption structures of CO and NO on the NiO(111) film grown on Ni(111) crystal have been investigated by sum frequency generation (SFG) spectroscopy and infrared reflection absorption spectroscopy (IRAS). The CO stretching band of adsorbed CO on NiO(111) was observed at 2144 cm -1 on the SFG spectra for both p- and s-polarized visible light. However, adsorbed NO on NiO(111) was observed at 1805 cm -1 on the SFG spectra only for the p-polarized visible light. The results suggest that the adsorbed CO molecule was tilted from the surface normal but the NO molecule was perpendicular to the surface. These orientations of CO and NO reflect the surface structure of NiO(111) which has (2 x 2)-reconstructed microfacets. Adsorption of CO on Ni(111) instead of NiO(111) was also examined by SFG and IRAS. Absorption bands due to linear and bridged CO were observed at 2076 and 1918 cm -1 , respectively, by IRAS. On the other hand, the linear CO molecules on Ni(111) gave an SFG peak at 2076 cm -1 only for the p-polarized visible light indicating the CO molecules are perpendicular to the surface, and bridged CO molecules did not give any SFG signal. The absence of the bridged CO signal is believed to be due to the smaller Raman tensor of bridged CO. (author)

  12. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 12. Molecule Matters - Dinitrogen. A G Samuelson J Jabadurai. Volume 16 Issue 12 ... Author Affiliations. A G Samuelson1 J Jabadurai1. Department of Inroganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012, India.

  13. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 9. Molecule Matters - A Chromium Compound with a Quintuple Bond. K C Kumara Swamy. Feature Article Volume 11 Issue 9 September 2006 pp 72-75. Fulltext. Click here to view fulltext PDF. Permanent link:

  14. 76 FR 64974 - Commerce in Explosives; List of Explosive Materials (2011R-18T)

    Science.gov (United States)

    2011-10-19

    ... slurry and water gel explosives. Blasting caps. Blasting gelatin. Blasting powder. BTNEC [bis.... Esters of nitro-substituted alcohols. Ethyl-tetryl. Explosive conitrates. Explosive gelatins. Explosive... silver. Fulminating gold. Fulminating mercury. Fulminating platinum. Fulminating silver. G Gelatinized...

  15. 77 FR 58410 - Commerce in Explosives; List of Explosive Materials (2012R-10T)

    Science.gov (United States)

    2012-09-20

    ... sensitive slurry and water gel explosives. Blasting caps. Blasting gelatin. Blasting powder. BTNEC [bis.... Esters of nitro-substituted alcohols. Ethyl-tetryl. Explosive conitrates. Explosive gelatins. Explosive.... Fulminate of silver. Fulminating gold. Fulminating mercury. Fulminating platinum. Fulminating silver. G...

  16. Peaceful nuclear explosions

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1975-07-01

    Article V of the Treaty on the Non-Proliferation of Nuclear Weapons (NPT) specifies that the potential benefits of peaceful applications of nuclear explosions be made available to non-nuclear weapon states party to the Treaty 'under appropriate international observation and through appropriate international procedures'. The International Atomic Energy Agency's responsibility and technical competence in this respect have been recognized by its Board of Governors, the Agency's General Conference and the United Nations' General Assembly. Since 1968 when the United Nations Conference of Non-Nuclear Weapon States also recommended that the Agency initiate the necessary studies in the peaceful nuclear explosions (PNE) field, the Agency has taken the following steps: 1. The exchange of scientific and technical information has been facilitated by circulating information on the status of the technology and through the Agency's International Nuclear Information System. A bibliography of PNE-related literature was published in 1970. 2. In 1972, guidelines for 'the international observation of PNE under the provisions of NPT and analogous provisions in other international agreements' were developed and approved by the Board of Governors. These guidelines defined the basic purpose of international observation as being to verify that in the course of conducting a PNE project the intent and letter of Articles I and II of the NPT are not violated. 3. In 1974, an advisory group developed 'Procedures for the Agency to Use in Responding to Requests for PNE-Related Services'. These procedures have also been approved by the Board of Governors. 4. The Agency has convened a series of technical meetings which reviewed the 'state-of-the- art'. These meetings were convened in 1970, 1971, 1972 and in January 1975. The Fourth Technical Committee was held in Vienna from 20-24 January 1975 under the chairmanship of Dr. Allen Wilson of Australia with Experts from: Australia, France, Federal

  17. Alkali metal adsorbate sputtering by molecular impact

    International Nuclear Information System (INIS)

    Moran, J.P.; Wachman, H.Y.; Trilling, L.

    1974-01-01

    An exploratory study of the sputtering by a krypton molecular beam of rubidium adsorbed at low coverage on a tungsten substrate has been described in a previous paper. An extension of this work is reported now

  18. PERVAPORATION USING ADSORBENT-FILLED MEMBRANES

    Science.gov (United States)

    Membranes containing selective fillers, such as zeolites and activated carbon, can improve the separation by pervaporation. Applications of adsorbent-filled membranes in pervaporation have been demonstrated by a number of studies. These applications include removal of organic co...

  19. Chitin Adsorbents for Toxic Metals: A Review

    Directory of Open Access Journals (Sweden)

    Ioannis Anastopoulos

    2017-01-01

    Full Text Available Wastewater treatment is still a critical issue all over the world. Among examined methods for the decontamination of wastewaters, adsorption is a promising, cheap, environmentally friendly and efficient procedure. There are various types of adsorbents that have been used to remove different pollutants such as agricultural waste, compost, nanomaterials, algae, etc., Chitin (poly-β-(1,4-N-acetyl-d-glucosamine is the second most abundant natural biopolymer and it has attracted scientific attention as an inexpensive adsorbent for toxic metals. This review article provides information about the use of chitin as an adsorbent. A list of chitin adsorbents with maximum adsorption capacity and the best isotherm and kinetic fitting models are provided. Moreover, thermodynamic studies, regeneration studies, the mechanism of adsorption and the experimental conditions are also discussed in depth.

  20. Black Sprayable Molecular Adsorber Coating Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The main objective of this technology project is to develop, optimize, and flight qualify a black version of the molecular adsorber coating and a conductive version...

  1. Aspects regarding explosion risk assessment

    Directory of Open Access Journals (Sweden)

    Părăian Mihaela

    2017-01-01

    Full Text Available Explosive risk occurs in all activities involving flammable substances in the form of gases, vapors, mists or dusts which, in mixture with air, can generate an explosive atmosphere. As explosions can cause human losses and huge material damage, the assessment of the explosion risk and the establishment of appropriate measures to reduce it to acceptable levels according to the standards and standards in force is of particular importance for the safety and health of people and goods.There is no yet a recognized method of assessing the explosion risk, but regardless of the applied method, the likelihood of an explosive atmosphere occurrence has to be determined, together with the occurrence of an efficient ignition source and the magnitude of foreseeable consequences. In assessment processes, consequences analysis has a secondary importance since it’s likely that explosions would always involve considerable damage, starting from important material damages and up to human damages that could lead to death.The purpose of the work is to highlight the important principles and elements to be taken into account for a specific risk assessment. An essential element in assessing the risk of explosion in workplaces where explosive atmospheres may occur is technical installations and personal protective equipment (PPE that must be designed, manufactured, installed and maintained so that they cannot generate a source of ignition. Explosion prevention and protection requirements are governed by specific norms and standards, and a main part of the explosion risk assessment is related to the assessment of the compliance of the equipment / installation with these requirements.

  2. Shock compression and flash-heating of molecular adsorbates on the picosecond time scale

    Science.gov (United States)

    Berg, Christopher Michael

    An ultrafast nonlinear coherent laser spectroscopy termed broadband multiplex vibrational sum-frequency generation (SFG) with nonresonant suppression was employed to monitor vibrational transitions of molecular adsorbates on metallic substrates during laser-driven shock compression and flash-heating. Adsorbates were in the form of well-ordered self-assembled monolayers (SAMs) and included molecular explosive simulants, such as nitroaromatics, and long chain-length alkanethiols. Based on reflectance measurements of the metallic substrates, femtosecond flash-heating pulses were capable of producing large-amplitude temperature jumps with DeltaT = 500 K. Laser-driven shock compression of SAMs produced pressures up to 2 GPa, where 1 GPa ≈ 1 x 104 atm. Shock pressures were estimated via comparison with frequency shifts observed in the monolayer vibrational transitions during hydrostatic pressure measurements in a SiC anvil cell. Molecular dynamics during flash-heating and shock loading were probed with vibrational SFG spectroscopy with picosecond temporal resolution and sub-nanometer spatial resolution. Flash-heating studies of 4-nitrobenzenethiolate (NBT) on Au provided insight into effects from hot-electron excitation of the molecular adsorbates at early pump-probe delay times. At longer delay times, effects from the excitation of SAM lattice modes and lower-energy NBT vibrations were shown. In addition, flash-heating studies of alkanethiolates demonstrated chain disordering behaviors as well as interface thermal conductances across the Au-SAM junction, which was of specific interest within the context of molecular electronics. Shock compression studies of molecular explosive simulants, such as 4-nitrobenzoate (NBA), demonstrated the proficiency of this technique to observe shock-induced molecular dynamics, in this case orientational dynamics, on the picosecond time scale. Results validated the utilization of these refined shock loading techniques to probe the shock

  3. Methyl iodide tests on used adsorbents

    International Nuclear Information System (INIS)

    Kovach, J.L.

    1993-01-01

    This paper discusses the history of events leading to the current problems in radioiodine test conditions. These radioiodine tests are performed in the adsorbent media from both safety and non-safety related Nuclear Air Treatment Systems (NATS). The main problem addressed is that currently there are still numerous plant technical specifications for NATS which reference outdated test protocols for the surveillance testing of the radioactive methyl iodide performance of the adsorbents. Recommendations for correcting the test condition problems are presented. 7 refs

  4. Dissolved Air Flotation of arsenic adsorbent particles

    Directory of Open Access Journals (Sweden)

    Mario Enrique Santander Muñoz

    2015-01-01

    Full Text Available The removal of arsenic from synthetic effluent was studied using the adsorbent particle flotation technique (APF and dissolved air flotation (DAF. A sample of an iron mineral was used as adsorbent particles of arsenic, ferric chloride as coagulant, cationic poly-acrylamide (NALCO 9808 as flocculants, and sodium oleate as collector. Adsorption studies to determine the pH influence, contact time, and adsorbent particles concentration on the adsorption of arsenic were carried out along with flotation studies to determine the removal efficiency of adsorbents particles. The results achieved indicate that the adsorption kinetic of arsenic is very rapid and that in range of pH’s from 2 to 7 the adsorption percentages remain constant. The equilibrium conditions were achieved in 60 minutes and about 95% of arsenic was adsorbed when used an adsorbent concentration of 2 g/L and pH 6.3. The maximum adsorption capacity of adsorbent particles was 4.96 mg/g. The mean free energy of adsorption (E was found to be 2.63 kJ/mol, which suggests physisorption. The results of the flotation studies demonstrated that when synthetic effluents with 8.9 mg/L of arsenic were treated under the following experimental conditions; 2 g/L of adsorbent particles, 120 mg/L of Fe(III, 2 mg/L of Nalco 9808, 20 mg/L of sodium oleate, and 40% of recycle ratio in the DAF, it was possible to reach 98% of arsenic removal and 6.3 NTU of residual turbidity in clarified synthetic effluent.

  5. Properties and selection criteria for adsorbents

    International Nuclear Information System (INIS)

    Wirth, H.

    1976-01-01

    The paper gives a survey of the most important industrial adsorbents and of their suitability for different purposes. With special consideration of activated carbon, the properties and characteristic data are discussed which are used for assessing adsorbents. These, among other things, are as follows: specific surface area, pore size distribution, adsorption isotherms, hydrophobic properties, catalytic properties, chemical resistance, heat resistance, particle size and hardness. (orig.) [de

  6. Protein purification using magnetic adsorbent particles

    DEFF Research Database (Denmark)

    Franzreb, M; Siemann-Herzberg, M.; Hobley, Timothy John

    2006-01-01

    The application of functionalised magnetic adsorbent particles in combination with magnetic separation techniques has received considerable attention in recent years. The magnetically responsive nature of such adsorbent particles permits their selective manipulation and separation in the presence...... separations are fast, gentle, scaleable, easily automated, can achieve separations that would be impossible or impractical to achieve by other techniques, and have demonstrated credibility in a wide range of disciplines, including minerals processing, wastewater treatment, molecular biology, cell sorting...

  7. Mesoporous Silica: A Suitable Adsorbent for Amines

    Directory of Open Access Journals (Sweden)

    Abdollahzadeh-Ghom Sara

    2009-01-01

    Full Text Available Abstract Mesoporous silica with KIT-6 structure was investigated as a preconcentrating material in chromatographic systems for ammonia and trimethylamine. Its adsorption capacity was compared to that of existing commercial materials, showing its increased adsorption power. In addition, KIT-6 mesoporous silica efficiently adsorbs both gases, while none of the employed commercial adsorbents did. This means that KIT-6 Mesoporous silica may be a good choice for integrated chromatography/gas sensing micro-devices.

  8. Self-consistent field theory of polymer-ionic molecule complexation

    OpenAIRE

    Nakamura, Issei; Shi, An-Chang

    2010-01-01

    A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C_(i)^(a)(kΔ)(= 0 or 1), whose average determines the number of adsorbed molecules, nBI. Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for nBI are obtained, depending...

  9. Kaliski's explosive driven fusion experiments

    International Nuclear Information System (INIS)

    Marshall, J.

    1979-01-01

    An experiment performed by a group in Poland on the production of DD fusion neutrons by purely explosive means is discussed. A method for multiplying shock velocities ordinarily available from high explosives by a factor of ten is described, and its application to DD fusion experiments is discussed

  10. Nuclear explosions and their effects

    Energy Technology Data Exchange (ETDEWEB)

    1958-01-01

    A brief historical background is given of the development of the atomic bomb. Also included is an account of the Hiroshima-Nagasaki bombing, plus some information on the testing and production of nuclear weapons by the United States, United Kingdom, and Russia. More detailed consideration is given to the following: the scientific principles of fission and fusion explosions; the energy released in fission and the radioactivity of fission products; blast, thermal, and radiologicalal effects of nuclear explosions; long-term radiological hazards from fall-out; and genetic effects of nuclear explosions. A brief account is given of the fission chain process, the concept of critical size, and the principles of implosion as applied to nuclear explosions. Limited information is presented on the controlled release of thermonuclear energy and catalyzed fusion reaction. Discussions are included on dose rates from radiation sources inside and outside the body, the effect of nuclear explosions on the weather, and the contamination of fish and marine organisms.

  11. Nucleosynthesis in stellar explosions

    Energy Technology Data Exchange (ETDEWEB)

    Woosley, S.E.; Axelrod, T.S.; Weaver, T.A.

    1983-01-01

    The final evolution and explosion of stars from 10 M/sub solar/ to 10/sup 6/ M/sub solar/ are reviewed with emphasis on factors affecting the expected nucleosynthesis. We order our paper in a sequence of decreasing mass. If, as many suspect, the stellar birth function was peaked towards larger masses at earlier times (see e.g., Silk 1977; but also see Palla, Salpeter, and Stahler 1983), this sequence of masses might also be regarded as a temporal sequence. At each stage of Galactic chemical evolution stars form from the ashes of preceding generations which typically had greater mass. A wide variety of Type I supernova models, most based upon accreting white dwarf stars, are also explored using the expected light curves, spectra, and nucleosynthesis as diagnostics. No clearly favored Type I model emerges that is capable of simultaneously satisfying all three constraints.

  12. Nucleosynthesis in stellar explosions

    International Nuclear Information System (INIS)

    Woosley, S.E.; Axelrod, T.S.; Weaver, T.A.

    1983-01-01

    The final evolution and explosion of stars from 10 M/sub solar/ to 10 6 M/sub solar/ are reviewed with emphasis on factors affecting the expected nucleosynthesis. We order our paper in a sequence of decreasing mass. If, as many suspect, the stellar birth function was peaked towards larger masses at earlier times (see e.g., Silk 1977; but also see Palla, Salpeter, and Stahler 1983), this sequence of masses might also be regarded as a temporal sequence. At each stage of Galactic chemical evolution stars form from the ashes of preceding generations which typically had greater mass. A wide variety of Type I supernova models, most based upon accreting white dwarf stars, are also explored using the expected light curves, spectra, and nucleosynthesis as diagnostics. No clearly favored Type I model emerges that is capable of simultaneously satisfying all three constraints

  13. Photoelectron diffraction studies of small adsorbates on single crystal surfaces

    International Nuclear Information System (INIS)

    Pascal, Mathieu

    2002-01-01

    The structural determination of small molecules adsorbed on single crystal surfaces has been investigated using scanned energy mode photoelectron diffraction (PhD). The experimental PhD data were compared to theoretical models using a simulation program based on multiple scattering calculations. Three adsorption systems have been examined on Ag(110), Cu(110) and Cu(111) crystals. The structure of the (2x1)-O adsorption phase on Ag(110) revealed that the O atoms occupied the long bridge site and are almost co-planar with the top layer of Ag atoms. The best agreement between multiple scattering theory and experiment has been obtained for a missing-row (or equivalently an 'added- row') reconstruction. Alternative buckled-row and unreconstructed surface models can be excluded. The adsorption of the benzoate species on Cu(110) has been found to occur via the carboxylate group. The molecules occupy short bridge sites with the O atoms being slightly displaced from atop sites and are aligned along the close-packed azimuth. The tilt of the molecule with respect to the surface and the degree to which the surface is relaxed have also been investigated. The adsorption of methyl on Cu(111) was studied using either azomethane or methyl iodide to prepare the surface layers. At saturation coverage the preferred adsorption site is the fcc threefold hollow site, whereas at half saturation coverage ∼ 30 % of the methyl species occupy the hop threefold hollow sites. Best agreement between theory and experiment corresponded to a methyl group adsorbed with C 3v symmetry. The height of the C above the surface in a pure methyl layer was 1.66 ± 0.02 A, but was reduced to 1.62 ± 0.02 A in the presence of co-adsorbed iodine, suggesting that iodine increases the strength of adsorption. Iodine was also found to occupy the fee threefold hollow sites with a Cu-l bondlength of 2.61 ± 0.02 A. (author)

  14. Thermochemistry of mixed explosives

    International Nuclear Information System (INIS)

    Janney, J.L.; Rogers, R.N.

    1982-01-01

    In order to predict thermal hazards of high-energy materials, accurate kinetics constants must be determined. Predictions of thermal hazards for mixtures of high-energy materials require measurements on the mixtures, because interactions among components are common. A differential-scanning calorimeter (DSC) can be used to observe rate processes directly, and isothermal methods enable detection of mechanism changes. Rate-controlling processes will change as components of a mixture are depleted, and the correct depletion function must be identified for each specific stage of a complex process. A method for kinetics measurements on mixed explosives can be demonstrated with Composition B is an approximately 60/40 mixture of RDX and TNT, and is an important military explosive. Kinetics results indicate that the mator process is the decomposition of RDX in solution in TNT with a perturbation caused by interaction between the two components. It is concluded that a combination of chemical kinetics and experimental self-heating procedures provides a good approach to the production of predictive models for thermal hazards of high-energy materials. Systems involving more than one energy-contributing component can be studied. Invalid and dangerous predictive models can be detected by a failure of agreement between prediction and experiment at a specific size, shape, and density. Rates of thermal decomposition for Composition B appear to be modeled adequately for critical-temperature predictions with the following kinetics constants: E = 180.2 kJ mole -1 and Z = 4.62 X 10 16 s -1

  15. Development and characterization of activated hydrochars from orange peels as potential adsorbents for emerging organic contaminants.

    Science.gov (United States)

    Fernandez, M E; Ledesma, B; Román, S; Bonelli, P R; Cukierman, A L

    2015-05-01

    Activated hydrochars obtained from the hydrothermal carbonization of orange peels (Citrus sinensis) followed by various thermochemical processing were assessed as adsorbents for emerging contaminants in water. Thermal activation under flows of CO2 or air as well as chemical activation with phosphoric acid were applied to the hydrochars. Their characteristics were analyzed and related to their ability to uptake three pharmaceuticals (diclofenac sodium, salicylic acid and flurbiprofen) considered as emerging contaminants. The hydrothermal carbonization and subsequent activations promoted substantial chemical transformations which affected the surface properties of the activated hydrochars; they exhibited specific surface areas ranging from 300 to ∼620 m(2)/g. Morphological characterization showed the development of coral-like microspheres dominating the surface of most hydrochars. Their ability to adsorb the three pharmaceuticals selected was found largely dependent on whether the molecules were ionized or in their neutral form and on the porosity developed by the new adsorbents. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Novel Fiber-Based Adsorbent Technology; FINAL

    International Nuclear Information System (INIS)

    Nixon, P.G.; Tsukamoto, T.; Brose, D.J.

    2001-01-01

    The overall of this Department of Energy (DOE) Phase II SBIR program was to develop a new class of highly robust fiber-based adsorbents for recovery of heavy metals from aqueous waste-streams. The fiber-based adsorbents,when commercialized,will be used for clean up metals in aqueous waste-streams emanating from DOE facilities,industry,mining,and groundwater-cleanup operations.The amount of toxic waste released by these streams is of great significance.The U.S.Environment Protection Agency (EPA) reports that in 1990 alone,4.8 billion pounds of toxic chemicals were released into the environment.Of this waste,the metals-containing waste was the second largest contributor,representing 569 million pounds. This report presents the results of the Phase II program,which successfully synthesized noval fiber-based adsorbents for the removal of Group 12 metals(i.e.mercury),Group 14 metals (lead),and Group 10 metals(platinum and palladium) from contaminated groundwater and industrial waste streams.These fiber-based adsorbents are ideally suited for the recovery of metal ions from aqueous waste streams presently not treatable due to the degrading nature of corrosive chemicals or radioactive components in the feed stream. The adsorbents developed in this program rely on chemically resistant and robust carbon fibers and fabrics as supports for metal-ion selective ligands.These adsorbents demonstrate loading capacities and selectivities for metal ions exceeding those of conventional ion-exchange resins.The adsorbents were also used to construct filter modules that demonstrate minimal fouling,minimal compaction,chemical and physical robustness,and regeneration of metal loading capacity without loss of performance

  17. Optical detection of explosives: spectral signatures for the explosive bouquet

    Science.gov (United States)

    Osborn, Tabetha; Kaimal, Sindhu; Causey, Jason; Burns, William; Reeve, Scott

    2009-05-01

    Research with canines suggests that sniffer dogs alert not on the odor from a pure explosive, but rather on a set of far more volatile species present in an explosive as impurities. Following the explosive trained canine example, we have begun examining the vapor signatures for many of these volatile impurities utilizing high resolution spectroscopic techniques in several molecular fingerprint regions. Here we will describe some of these high resolution measurements and discuss strategies for selecting useful spectral signature regions for individual molecular markers of interest.

  18. Photochemical dynamics of surface oriented molecules

    International Nuclear Information System (INIS)

    Ho, W.

    1992-01-01

    The period 8/01/91-7/31/92 is the first year of a new project titled ''Photochemical Dynamics of Surface Oriented Molecules'', initiated with DOE Support. The main objective of this project is to understand the dynamics of elementary chemical reactions by studying photochemical dynamics of surface-oriented molecules. In addition, the mechanisms of photon-surface interactions need to be elucidated. The strategy is to carry out experiments to measure the translational energy distribution, as a function of the angle from the surface normal, of the photoproducts by time-of-flight (TOF) technique by varying the photon wavelength, intensity, polarization, and pulse duration. By choosing adsorbates with different bonding configuration, the effects of adsorbate orientation on surface photochemical dynamics can be studied

  19. Energetic lanthanide complexes: coordination chemistry and explosives applications

    International Nuclear Information System (INIS)

    Manner, V W; Barker, B J; Sanders, V E; Laintz, K E; Scott, B L; Preston, D N; Sandstrom, M; Reardon, B L

    2014-01-01

    Metals are generally added to organic molecular explosives in a heterogeneous composite to improve overall heat and energy release. In order to avoid creating a mixture that can vary in homogeneity, energetic organic molecules can be directly bonded to high molecular weight metals, forming a single metal complex with Angstrom-scale separation between the metal and the explosive. To probe the relationship between the structural properties of metal complexes and explosive performance, a new series of energetic lanthanide complexes has been prepared using energetic ligands such as NTO (5-nitro-2,4-dihydro-1,2,4-triazole-3-one). These are the first examples of lanthanide NTO complexes where no water is coordinated to the metal, demonstrating novel control of the coordination environment. The complexes have been characterized by X-ray crystallography, NMR and IR spectroscopies, photoluminescence, and sensitivity testing. The structural and energetic properties are discussed in the context of enhanced blast effects and detection. Cheetah calculations have been performed to fine-tune physical properties, creating a systematic method for producing explosives with 'tailor made' characteristics. These new complexes will be benchmarks for further study in the field of metalized high explosives.

  20. Fire and explosion hazards to flora and fauna from explosives.

    Science.gov (United States)

    Merrifield, R

    2000-06-30

    Deliberate or accidental initiation of explosives can produce a range of potentially damaging fire and explosion effects. Quantification of the consequences of such effects upon the surroundings, particularly on people and structures, has always been of paramount importance. Information on the effects on flora and fauna, however, is limited, with probably the weakest area lying with fragmentation of buildings and their effects on different small mammals. Information has been used here to gain an appreciation of the likely magnitude of the potential fire and explosion effects on flora and fauna. This is based on a number of broad assumptions and a variety of data sources including World War II bomb damage, experiments performed with animals 30-40 years ago, and more recent field trials on building break-up under explosive loading.

  1. Process for producing zeolite adsorbent and process for treating radioactive liquid waste with the zeolite adsorbent

    International Nuclear Information System (INIS)

    Motojima, K.; Kawamura, F.

    1984-01-01

    Zeolite is contacted with an aqueous solution containing at least one of copper, nickel, cobalt, manganese and zinc salts, preferably copper and nickel salts, particularly preferably copper salt, in such a form as sulfate, nitrate, or chloride, thereby adsorbing the metal on the zeolite in its pores by ion exchange, then the zeolite is treated with a water-soluble ferrocyanide compound, for example, potassium ferrocyanide, thereby forming metal ferrocyanide on the zeolite in its pores. Then, the zeolite is subjected to ageing treatment, thereby producing a zeolite adsorbent impregnated with metal ferrocyanide in the pores of zeolite. The adsorbent can selectively recover cesium with a high percent cesium removal from a radioactive liquid waste containing at least radioactive cesium, for example, a radioactive liquid waste containing cesium and such coexisting ions as sodium, magnesium, calcium and carbonate ions at the same time at a high concentration. The zeolite adsorbent has a stable adsorbability for a prolonged time

  2. Method for modifying trigger level for adsorber regeneration

    Science.gov (United States)

    Ruth, Michael J.; Cunningham, Michael J.

    2010-05-25

    A method for modifying a NO.sub.x adsorber regeneration triggering variable. Engine operating conditions are monitored until the regeneration triggering variable is met. The adsorber is regenerated and the adsorbtion efficiency of the adsorber is subsequently determined. The regeneration triggering variable is modified to correspond with the decline in adsorber efficiency. The adsorber efficiency may be determined using an empirically predetermined set of values or by using a pair of oxygen sensors to determine the oxygen response delay across the sensors.

  3. Adsorbent catalytic nanoparticles and methods of using the same

    Energy Technology Data Exchange (ETDEWEB)

    Slowing, Igor Ivan; Kandel, Kapil

    2017-01-31

    The present invention provides an adsorbent catalytic nanoparticle including a mesoporous silica nanoparticle having at least one adsorbent functional group bound thereto. The adsorbent catalytic nanoparticle also includes at least one catalytic material. In various embodiments, the present invention provides methods of using and making the adsorbent catalytic nanoparticles. In some examples, the adsorbent catalytic nanoparticles can be used to selectively remove fatty acids from feedstocks for biodiesel, and to hydrotreat the separated fatty acids.

  4. From illite/smectite clay to mesoporous silicate adsorbent for efficient removal of chlortetracycline from water.

    Science.gov (United States)

    Wang, Wenbo; Tian, Guangyan; Zong, Li; Zhou, Yanmin; Kang, Yuru; Wang, Qin; Wang, Aiqin

    2017-01-01

    A series of mesoporous silicate adsorbents with superior adsorption performance for hazardous chlortetracycline (CTC) were sucessfully prepared via a facile one-pot hydrothermal reaction using low-cost illite/smectite (IS) clay, sodium silicate and magnesium sulfate as the starting materials. In this process, IS clay was "teared up" and then "rebuilt" as new porous silicate adsorbent with high specific surface area of 363.52m 2 /g (about 8.7 folds higher than that of IS clay) and very negative Zeta potential (-34.5mV). The inert SiOSi (Mg, Al) bonds in crystal framework of IS were broken to form Si(Al) O - groups with good adsorption activity, which greatly increased the adsorption sites served for holding much CTC molecules. Systematic evaluation on adsorption properties reveals the optimal silicate adsorbent can adsorb 408.81mg/g of CTC (only 159.7mg/g for raw IS clay) and remove 99.3% (only 46.5% for raw IS clay) of CTC from 100mg/L initial solution (pH3.51; adsorption temperature 30°C; adsorbent dosage, 3g/L). The adsorption behaviors of CTC onto the adsorbent follows the Langmuir isotherm model, Temkin equation and pseudo second-order kinetic model. The mesopore adsorption, electrostatic attraction and chemical association mainly contribute to the enhanced adsorption properties. As a whole, the high-efficient silicate adsorbent could be candidates to remove CTC from the wastewater with high amounts of CTC. Copyright © 2016. Published by Elsevier B.V.

  5. Peaceful applications of nuclear explosions

    International Nuclear Information System (INIS)

    Wallin, L.B.

    1975-12-01

    The intension of this report is to give a survey of the field of peaceful applications of nuclear explosions. As an introduction some examples of possibilities of application are given together with a simple description of nuclear explosions under ground. After a summary of what has been done and will be done in this field nationally and internationally, a short discussion of advantages and problems with peaceful application of nuclear explosions follows. The risks of spreading nuclear weapons due to this applications are also touched before the report is finished with an attempt to judge the future development in this field. (M.S.)

  6. Donor free radical explosive composition

    Science.gov (United States)

    Walker, Franklin E. [15 Way Points Rd., Danville, CA 94526; Wasley, Richard J. [4290 Colgate Way, Livermore, CA 94550

    1980-04-01

    An improved explosive composition is disclosed and comprises a major portion of an explosive having a detonation velocity between about 1500 and 10,000 meters per second and a minor amount of a donor additive comprising an organic compound or mixture of organic compounds capable of releasing low molecular weight free radicals or ions under mechanical or electrical shock conditions and which is not an explosive, or an inorganic compound or mixture of inorganic compounds capable of releasing low molecular weight free radicals or ions under mechanical or electrical shock conditions and selected from ammonium or alkali metal persulfates.

  7. Explosive coalescence of Magnetic Islands

    International Nuclear Information System (INIS)

    Tajima, T.; Sakai, J.I.

    1985-04-01

    An explosive reconnection process associated with nonlinear evolution of the coalescence instability is found through studies of particle and magnetohydrodynamic simulations. The explosive coalescence is a self-similar process of magnetic collapse, in which the magnetic and electrostatic energies and temperatures explode toward the explosion time t 0 as (t 0 -t)/sup 8/3/,(t 0 -t) -4 , and (t 0 -t)/sup -8/3/, respectively. Ensuing amplitude oscillations in these quantities are identified by deriving an equation of motion for the scale factor in the Sagdeev potential

  8. Many-body dispersion effects in the binding of adsorbates on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Maurer, Reinhard J. [Department of Chemistry, Yale University, New Haven, Connecticut 06520 (United States); Ruiz, Victor G.; Tkatchenko, Alexandre [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany)

    2015-09-14

    A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work, we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic–inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Tkatchenko et al., Phys. Rev. Lett. 108, 236402 (2012) and Ambrosetti et al., J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid, and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects, we are able to describe changes in the anisotropic polarizability tensor, improve the description of adsorbate vibrations, and correctly capture the adsorbate–surface interaction screening. Comparison to other methods and experiment reveals that inclusion of MBD effects improves adsorption energies and geometries, by reducing the overbinding typically found in pairwise additive dispersion-correction approaches.

  9. Electrochemical Properties of Alkanethiol Monolayers Adsorbed on Nanoporous Au Surfaces

    International Nuclear Information System (INIS)

    Chu, Yeon Yi; Seo, Bora; Kim, Jong Won

    2010-01-01

    We investigated the electrochemical properties of alkanethiol monolayers adsorbed on NPG surfaces by cyclic voltammetry and electrochemical impedance spectroscopy, and the results are compared to those on flat Au surfaces. The reductive desorption of alkanethiols on NPG surfaces is observed in more negative potential regions than that on flat Au surfaces due the stronger S-Au interaction on NPG surfaces. While the electron transfer through alkanethiol monolayers on flat Au surfaces occurs via a tunneling process through the monolayer films, the redox species can permeate through the monolayers on NPG surfaces to transfer the electrons to the Au surfaces. The results presented here will help to elucidate the intrinsic electrochemical properties of alkanethiol monolayers adsorbed on curved Au surfaces, particularly on the surface of AuNPs. Self-assembled monolayers (SAMs) of thiolate molecules on Au surfaces have been the subject of intensive research for the last few decades due to their unique physical and chemical properties. The well-organized surface structures of thiolate SAMs with various end-group functionalities can be further utilized for many applications in biology and nanotechnology. In addition to the practical applications, SAMs of thiolate molecules on Au surfaces also provide unique opportunities to address fundamental issues in surface chemistry such as self-organized surface structures, electron transfer behaviors, and moleculesubstrate interactions. Although there have been numerous reports on the fundamental physical and chemical properties of thiolate SAMs on Au surfaces, most of them were investigated on flat Au surfaces, typically on well-defined Au(111) surfaces

  10. Explosive actuated valve

    International Nuclear Information System (INIS)

    Byrne, K.G.

    1983-01-01

    1. A device of the character described comprising the combination of a housing having an elongate bore and including a shoulder extending inwardly into said bore, a single elongate movable plunger disposed in said bore including an outwardly extending flange adjacent one end thereof overlying said shoulder, normally open conduit means having an inlet and an outlet perpendicularly piercing said housing intermediate said shoulder and said flange and including an intermediate portion intersecting and normally openly communicating with said bore at said shoulder, normally closed conduit means piercing said housing and intersecting said bore at a location spaced from said normally open conduit means, said elongate plunger including a shearing edge adjacent the other end thereof normally disposed intermediate both of said conduit means and overlying a portion of said normally closed conduit means, a deformable member carried by said plunger intermediate said flange and said shoulder and normally spaced from and overlying the intermediate portion of said normally open conduit means, and means on the housing communicating with the bore to retain an explosive actuator for moving said plunger to force the deformable member against the shoulder and extrude a portion of the deformable member out of said bore into portions of the normally open conduit means for plugging the same and to effect the opening of said normally closed conduit means by the plunger shearing edge substantially concomitantly with the plugging of the normally open conduit means

  11. Furball Explosive Breakout Test

    Energy Technology Data Exchange (ETDEWEB)

    Carroll, Joshua David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-08-05

    For more than 30 years the Onionskin test has been the primary way to study the surface breakout of a detonation wave. Currently the Onionskin test allows for only a small, one dimensional, slice of the explosive in question to be observed. Asymmetrical features are not observable with the Onionskin test and its one dimensional view. As a result, in 2011, preliminary designs for the Hairball and Furball were developed then tested. The Hairball used shorting pins connected to an oscilloscope to determine the arrival time at 24 discrete points. This limited number of data points, caused by the limited number of oscilloscope channels, ultimately led to the Hairball’s demise. Following this, the Furball was developed to increase the number of data points collected. Instead of shorting pins the Furball uses fiber optics imaged by a streak camera to determine the detonation wave arrival time for each point. The original design was able to capture the detonation wave’s arrival time at 205 discrete points with the ability to increase the number of data points if necessary.

  12. Scanning tunneling microscopy studies of organic monolayers adsorbed on the rhodium(111) crystal surface

    Energy Technology Data Exchange (ETDEWEB)

    Cernota, Paul Davis [Univ. of California, Berkeley, CA (United States)

    1999-08-01

    Scanning Tunneling Microscopy studies were carried out on ordered overlayers on the (111) surface of rhodium. These adsorbates include carbon monoxide (CO), cyclohexane, cyclohexene, 1,4-cyclohexadiene, para-xylene, and meta-xylene. Coadsorbate systems included: CO with ethylidyne, CO with para- and meta-xylene, and para-xylene with meta-xylene. In the case of CO, the structure of the low coverage (2x2) overlayer has been observed. The symmetry of the unit cell in this layer suggests that the CO is adsorbed in the 3-fold hollow sites. There were also two higher coverage surface structures with (√7x√7) unit cells. One of these is composed of trimers of CO and has three CO molecules in each unit cell. The other structure has an additional CO molecule, making a total of four. This extra CO sits on a top site.

  13. Molecule Matters van der Waals Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 12. Molecule Matters van der Waals Molecules - Noble Gas Clusters are London Molecules! E Arunan. Feature Article Volume 14 Issue 12 December 2009 pp 1210-1222 ...

  14. Suppression of stratified explosive interactions

    Energy Technology Data Exchange (ETDEWEB)

    Meeks, M.K.; Shamoun, B.I.; Bonazza, R.; Corradini, M.L. [Wisconsin Univ., Madison, WI (United States). Dept. of Nuclear Engineering and Engineering Physics

    1998-01-01

    Stratified Fuel-Coolant Interaction (FCI) experiments with Refrigerant-134a and water were performed in a large-scale system. Air was uniformly injected into the coolant pool to establish a pre-existing void which could suppress the explosion. Two competing effects due to the variation of the air flow rate seem to influence the intensity of the explosion in this geometrical configuration. At low flow rates, although the injected air increases the void fraction, the concurrent agitation and mixing increases the intensity of the interaction. At higher flow rates, the increase in void fraction tends to attenuate the propagated pressure wave generated by the explosion. Experimental results show a complete suppression of the vapor explosion at high rates of air injection, corresponding to an average void fraction of larger than 30%. (author)

  15. Phenomenological modelling of steam explosions

    International Nuclear Information System (INIS)

    Corradini, M.L.; Drumheller, D.S.

    1980-01-01

    During a hypothetical core meltdown accident, an important safety issue to be addressed is the potential for steam explosions. This paper presents analysis and modelling of experimental results. There are four observations that can be drawn from the analysis: (1) vapor explosions are suppressed by noncondensible gases generated by fuel oxidation, by high ambient pressure, and by high water temperatures; (2) these effects appear to be trigger-related in that an explosion can again be induced in some cases by increasing the trigger magnitude; (3) direct fuel liquid-coolant liquid contact can explain small scale fuel fragmentation; (4) heat transfer during the expansion phase of the explosion can reduce the work potential

  16. Water-bearing explosive compositions

    Energy Technology Data Exchange (ETDEWEB)

    Gay, G M

    1970-12-21

    An explosive water-bearing composition, with high detonation velocity, comprises a mixture of (1) an inorganic oxidizer salt; (2) nitroglycerine; (3) nitrocellulose; (4) water; and (5) a water thickening agent. (11 claims)

  17. 30 CFR 77.1301 - Explosives; magazines.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Explosives; magazines. 77.1301 Section 77.1301... and Blasting § 77.1301 Explosives; magazines. (a) Detonators and explosives other than blasting agents shall be stored in magazines. (b) Detonators shall not be stored in the same magazine with explosives...

  18. Explosives mimic for testing, training, and monitoring

    Science.gov (United States)

    Reynolds, John G.; Durban, Matthew M.; Gash, Alexander E.; Grapes, Michael D.; Kelley, Ryan S.; Sullivan, Kyle T.

    2018-02-13

    Additive Manufacturing (AM) is used to make mimics for explosives. The process uses mixtures of explosives and matrices commonly used in AM. The explosives are formulated into a mixture with the matrix and printed using AM techniques and equipment. The explosive concentrations are kept less than 10% by wt. of the mixture to conform to requirements of shipping and handling.

  19. 8. Peaceful uses of nuclear explosions

    International Nuclear Information System (INIS)

    Musilek, L.

    1992-01-01

    The chapter deals with peaceful uses of nuclear explosions. Described are the development of the underground nuclear explosion, properties of radionuclides formed during the explosion, their distribution, the release of radioactive products of underground nuclear explosions into the air, their propagation in the atmosphere, and fallout in the landscape. (Z.S.). 1 tab., 8 figs., 19 refs

  20. Multistage reaction pathways in detonating high explosives

    International Nuclear Information System (INIS)

    Li, Ying; Kalia, Rajiv K.; Nakano, Aiichiro; Nomura, Ken-ichi; Vashishta, Priya

    2014-01-01

    Atomistic mechanisms underlying the reaction time and intermediate reaction products of detonating high explosives far from equilibrium have been elusive. This is because detonation is one of the hardest multiscale physics problems, in which diverse length and time scales play important roles. Here, large spatiotemporal-scale reactive molecular dynamics simulations validated by quantum molecular dynamics simulations reveal a two-stage reaction mechanism during the detonation of cyclotrimethylenetrinitramine crystal. Rapid production of N 2 and H 2 O within ∼10 ps is followed by delayed production of CO molecules beyond ns. We found that further decomposition towards the final products is inhibited by the formation of large metastable carbon- and oxygen-rich clusters with fractal geometry. In addition, we found distinct unimolecular and intermolecular reaction pathways, respectively, for the rapid N 2 and H 2 O productions

  1. Multistage reaction pathways in detonating high explosives

    Energy Technology Data Exchange (ETDEWEB)

    Li, Ying [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kalia, Rajiv K.; Nakano, Aiichiro; Nomura, Ken-ichi; Vashishta, Priya [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States)

    2014-11-17

    Atomistic mechanisms underlying the reaction time and intermediate reaction products of detonating high explosives far from equilibrium have been elusive. This is because detonation is one of the hardest multiscale physics problems, in which diverse length and time scales play important roles. Here, large spatiotemporal-scale reactive molecular dynamics simulations validated by quantum molecular dynamics simulations reveal a two-stage reaction mechanism during the detonation of cyclotrimethylenetrinitramine crystal. Rapid production of N{sub 2} and H{sub 2}O within ∼10 ps is followed by delayed production of CO molecules beyond ns. We found that further decomposition towards the final products is inhibited by the formation of large metastable carbon- and oxygen-rich clusters with fractal geometry. In addition, we found distinct unimolecular and intermolecular reaction pathways, respectively, for the rapid N{sub 2} and H{sub 2}O productions.

  2. Computer simulation of explosion crater in dams with different buried depths of explosive

    Science.gov (United States)

    Zhang, Zhichao; Ye, Longzhen

    2018-04-01

    Based on multi-material ALE method, this paper conducted a computer simulation on the explosion crater in dams with different buried depths of explosive using LS-DYNA program. The results turn out that the crater size increases with the increase of buried depth of explosive at first, but closed explosion cavity rather than a visible crater is formed when the buried depth of explosive increases to some extent. The soil in the explosion cavity is taken away by the explosion products and the soil under the explosion cavity is compressed with its density increased. The research can provide some reference for the anti-explosion design of dams in the future.

  3. Hydrocarbon production with nuclear explosives

    International Nuclear Information System (INIS)

    Wade Watkins, J.

    1970-01-01

    The tremendous energy of nuclear explosives and the small dimensions of the explosive package make an ideal combination for drill-hole explosive emplacement in deep, thick hydrocarbon deposits. Potential applications exist in fracturing low permeability natural-gas and petroleum formations for stimulating production, fracturing oil shale to permit in situ retorting, and creating storage chimneys for natural gas, liquefied petroleum gas, petroleum, petroleum products, helium, and other fluids. Calculations show, for example, that less than 100 shots per year would be needed to stabilize the natural gas reserves to production ratio. Under the Government-industry Plowshare program, two experiments, Projects Gasbuggy and Rulison, were conducted to stimulate natural gas production from low-permeability formations. Incomplete information indicates that both were technically successful. Potential problems associated with the use of nuclear explosives for underground engineering applications are radioactive contamination, maximum yield limitations, high costs of detonating contained nuclear explosives, and adverse public opinion. Results at Project Gasbuggy and other considerations indicated that the problem of radioactive contamination was about as predicted and not an insurmountable one. Also, it was demonstrated that shots at adequate depths could be detonated without appreciable damage to existing surface and subsurface buildings, natural features, and equipment. However, costs must be reduced and the public must be better informed before these techniques can be widely used in field operations. On the basis of present knowledge, the potential of nuclear-explosive stimulation of hydrocarbon production appears good. Additional field experiments will be required to adequately explore that potential. (author)

  4. Hydrocarbon production with nuclear explosives

    Energy Technology Data Exchange (ETDEWEB)

    Wade Watkins, J [Petroleum Research, Bureau of Mines, U.S. Department of the Interior, Washington, DC (United States)

    1970-05-01

    The tremendous energy of nuclear explosives and the small dimensions of the explosive package make an ideal combination for drill-hole explosive emplacement in deep, thick hydrocarbon deposits. Potential applications exist in fracturing low permeability natural-gas and petroleum formations for stimulating production, fracturing oil shale to permit in situ retorting, and creating storage chimneys for natural gas, liquefied petroleum gas, petroleum, petroleum products, helium, and other fluids. Calculations show, for example, that less than 100 shots per year would be needed to stabilize the natural gas reserves to production ratio. Under the Government-industry Plowshare program, two experiments, Projects Gasbuggy and Rulison, were conducted to stimulate natural gas production from low-permeability formations. Incomplete information indicates that both were technically successful. Potential problems associated with the use of nuclear explosives for underground engineering applications are radioactive contamination, maximum yield limitations, high costs of detonating contained nuclear explosives, and adverse public opinion. Results at Project Gasbuggy and other considerations indicated that the problem of radioactive contamination was about as predicted and not an insurmountable one. Also, it was demonstrated that shots at adequate depths could be detonated without appreciable damage to existing surface and subsurface buildings, natural features, and equipment. However, costs must be reduced and the public must be better informed before these techniques can be widely used in field operations. On the basis of present knowledge, the potential of nuclear-explosive stimulation of hydrocarbon production appears good. Additional field experiments will be required to adequately explore that potential. (author)

  5. Safety engineering experiments of explosives

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, Noboru

    1987-07-24

    The outline of large scale experiments carried out every year since 1969 to obtain fundamental data and then establish the safety engineering standards concerning the manufacturing, storage and transportation, etc. of all explosives was described. Because it becomes recently difficult to ensure the safety distance in powder magazines and powder plants, the sandwich structure with sand is thought to be suitable as the neighboring barrier walls. The special vertical structure for embankments to provide against a emergency explosion is effective to absorb the blast. Explosion behaviors such as initiating sensitivity, detonation, sympathetic detonation, and shock occurence of the ANFO explosives in place of dynamite and the slurry explosives were studied. The safety engineering standards for the manufacturing and application of explosives were studied to establish because accidents by tabacco fire are not still distinguished. Much data concerning early stage fire fighting, a large quantity of flooding and shock occurence from a assumption of ignition during machining in the propellants manufacturing plant, could be obtained. Basic studies were made to prevent pollution in blasting sites. Collected data are utilized for the safety administration after sufficient discussion. (4 figs, 2 tabs, 3 photos, 17 refs)

  6. Explosive Characteristics of Carbonaceous Nanoparticles

    Science.gov (United States)

    Turkevich, Leonid; Fernback, Joseph; Dastidar, Ashok

    2013-03-01

    Explosion testing has been performed on 20 codes of carbonaceous particles. These include SWCNTs (single-walled carbon nanotubes), MWCNTs (multi-walled carbon nanotubes), CNFs (carbon nanofibers), graphene, diamond, fullerene, carbon blacks and graphites. Explosion screening was performed in a 20 L explosion chamber (ASTM E1226-10 protocol), at a (dilute) concentration of 500 g/m3, using a 5 kJ ignition source. Time traces of overpressure were recorded. Samples exhibited overpressures of 5-7 bar, and deflagration index KSt = V1/3 (dp/pt)max ~ 10 - 80 bar-m/s, which places these materials in European Dust Explosion Class St-1 (similar to cotton and wood dust). There was minimal variation between these different materials. The explosive characteristics of these carbonaceous powders are uncorrelated with particle size (BET specific surface area). Additional tests were performed on selected materials to identify minimum explosive concentration [MEC]. These materials exhibit MEC ~ 101 -102 g/m3 (lower than the MEC for coals). The concentration scans confirm that the earlier screening was performed under fuel-rich conditions (i.e. the maximum over-pressure and deflagration index exceed the screening values); e.g. the true fullerene KSt ~ 200 bar-m/s, placing it borderline St-1/St-2. Work supported through the NIOSH Nanotechnology Research Center (NTRC)

  7. Trace explosives sensor testbed (TESTbed)

    Science.gov (United States)

    Collins, Greg E.; Malito, Michael P.; Tamanaha, Cy R.; Hammond, Mark H.; Giordano, Braden C.; Lubrano, Adam L.; Field, Christopher R.; Rogers, Duane A.; Jeffries, Russell A.; Colton, Richard J.; Rose-Pehrsson, Susan L.

    2017-03-01

    A novel vapor delivery testbed, referred to as the Trace Explosives Sensor Testbed, or TESTbed, is demonstrated that is amenable to both high- and low-volatility explosives vapors including nitromethane, nitroglycerine, ethylene glycol dinitrate, triacetone triperoxide, 2,4,6-trinitrotoluene, pentaerythritol tetranitrate, and hexahydro-1,3,5-trinitro-1,3,5-triazine. The TESTbed incorporates a six-port dual-line manifold system allowing for rapid actuation between a dedicated clean air source and a trace explosives vapor source. Explosives and explosives-related vapors can be sourced through a number of means including gas cylinders, permeation tube ovens, dynamic headspace chambers, and a Pneumatically Modulated Liquid Delivery System coupled to a perfluoroalkoxy total-consumption microflow nebulizer. Key features of the TESTbed include continuous and pulseless control of trace vapor concentrations with wide dynamic range of concentration generation, six sampling ports with reproducible vapor profile outputs, limited low-volatility explosives adsorption to the manifold surface, temperature and humidity control of the vapor stream, and a graphical user interface for system operation and testing protocol implementation.

  8. Theoretical Insight of Physical Adsorption for a Single Component Adsorbent + Adsorbate System: II. The Henry Region

    KAUST Repository

    Chakraborty, Anutosh

    2009-07-07

    The Henry coefficients of a single component adsorbent + adsorbate system are calculated from experimentally measured adsorption isotherm data, from which the heat of adsorption at zero coverage is evaluated. The first part of the papers relates to the development of thermodynamic property surfaces for a single-component adsorbent + adsorbate system1 (Chakraborty, A.; Saha, B. B.; Ng, K. C.; Koyama, S.; Srinivasan, K. Langmuir 2009, 25, 2204). A thermodynamic framework is presented to capture the relationship between the specific surface area (Ai) and the energy factor, and the surface structural and the surface energy heterogeneity distribution factors are analyzed. Using the outlined approach, the maximum possible amount of adsorbate uptake has been evaluated and compared with experimental data. It is found that the adsorbents with higher specific surface areas tend to possess lower heat of adsorption (ΔH°) at the Henry regime. In this paper, we have established the definitive relation between Ai and ΔH° for (i) carbonaceous materials, metal organic frameworks (MOFs), carbon nanotubes, zeolites + hydrogen, and (ii) activated carbons + methane systems. The proposed theoretical framework of At and AH0 provides valuable guides for researchers in developing advanced porous adsorbents for methane and hydrogen uptake. © 2009 American Chemical Society.

  9. Volatile organic compounds adsorption using different types of adsorbent

    Directory of Open Access Journals (Sweden)

    Pimanmes Chanayotha

    2014-09-01

    Full Text Available Adsorbents were synthesized from coconut shell, coal and coke by pyrolysis followed by chemical activation process. These synthesized materials were used as adsorbents in adsorption test to determine the amount of volatile organic compounds (VOCs namely, 2-Hydroxyethyl methacrylate (HEMA, Octamethylcyclotetrasiloxane and Alkanes standard solution (C8-C20. The adsorption capacities of both synthesized adsorbents and commercial grade adsorbents (Carbotrap™ B and Carbotrap™ C were also compared. It was found that adsorbent A402, which was produced from coconut shell, activated with 40% (wt. potassium hydroxide and at activating temperature of 800°C for 1 hr, could adsorb higher amount of both HEMA and Octamethylcyclotetrasiloxane than other synthesized adsorbents. The maximum adsorption capacity of adsorbent A402 in adsorbing HEMA and Octamethylcyclotetrasiloxane were 77.87% and 50.82% respectively. These adsorption capabilities were 79.73% and 70.07% of the adsorption capacity of the commercial adsorbent Carbotrap™ B respectively. All three types of the synthesized adsorbent (A402, C302, C402 showed the capability to adsorb alkanes standard solution through the range of C8-C20 . However, their adsorption capacities were high in a specific range of C10-C11. The result from the isotherm plot was indicated that surface adsorption of synthesized adsorbent was isotherm type I while the surface adsorption of commercial adsorbent was isotherm type III.

  10. Adsorbed layers on (111)InAs faces in contact with In-As-Cl-H gas phase, and the possibility of phase transitions in the adsorbed layers

    Science.gov (United States)

    Chernov, A. A.; Ruzaikin, M. P.

    1981-04-01

    Adsorption of various species existing in the In-As-Cl-H CVD gaseous system on both InAs (111) faces is considered. Arsenic is supposed to be adsorbed in the form of triangles As 3 and tetrahedrons As 4, each of them occupying 3 atomic sites above In or As atoms on (111)In or (111)As, respectively. The system of polyatomic adsorption equations was used to find the coverages of the faces by various species. Admolecule-surface bond strengths are taken to be equal to the ones for the single bonds in molecules. Pauling electronegativities were used to find the effective charges of the atoms in the adsorption layer. Thus, the dipole moments of adsorbed molecules which arise are directed along the In-As bonds in the InAs lattice. With this geometry, the calculated electrostatic dipole-dipole attraction between InCl molecules forming a dense layer on (111)As exceeds 12 kcal/mol. Thus, condensation of the two-dimensional gas of adsorbed InCl molecules should be expected. Corresponding S-shape isotherms θ( P) are calculated for different As 3 vapor pressures, θ and P being the surface coverage and bulk vapor pressure of InCl. Intervals of {InCl 3}/{H 2} ratios at different temperatures where the two-dimensional condensation may occur, are presented for realistic CVD conditions. Two-dimensional condensation may result in sharp changes in kinetic coefficient and thus in autho-oscillations in growth rate and doping level creating periodic superstructures. Nucleation and CVD growth processes are discussed.

  11. Kinetics of the homogeneous exchange of alpha-lactalbumin adsorbed on titanium oxide surface.

    Science.gov (United States)

    Bentaleb, A; Haïkel, Y; Voegel, J C; Schaaf, P

    1998-06-05

    The homogeneous exchange process whereby alpha-lactalbumine molecules adsorbed on hydrophilic titanium oxide particles are replaced by alpha-lactalbumine molecules in solution has been investigated by means of a 125I radio-labeling technique, alpha-lactalbumine is a compact and highly negatively charged protein, making this study complementary to previous work devoted to the general understanding of the exchange mechanisms of adsorbed proteins on solid surfaces. The isotherm of alpha-lactalbumine exhibits bimodal adsorption shape, and the exchange process whereby adsorbed proteins are replaced by new incoming ones from the bulk solution has been studied at both the upper and the lower plateau of the isotherm. In the upper plateau the exchange process was found to be of first order with respect to the bulk molecules, and the release rate constant was equal to 0.914 L. mol-1.s-1. This behavior is identical to what has been observed with other proteinic systems. In the lower plateau domain, in contrast, the protein release process is independent of the concentration of proteins in the bulk, but the release rates are higher than the pure desorption rates. This constitutes, to our knowledge, a behavior that never before has been observed and that remains to be explained.

  12. Photoemission spectroscopy of surfaces and adsorbates

    International Nuclear Information System (INIS)

    Chiang, T.C.; Kaindl, G.; Himpsel, F.J.; Eastman, D.E.

    1982-01-01

    Core level photoelectron spectroscopy is providing new information concerning the electronic properties of adsorbates and surfaces. Several examples will be discussed, including studies of adsorbed rare gas submonolayers and multilayers as well as clean metal surfaces. For rare gas multilayers adsorbed on metal surfaces, the photoelectrons and Auger electrons exhibit well-resolved increases in kinetic energy with decreasing distance between the excited atom and the substrate, allowing a direct labeling of the layers. These energy shifts are mainly due to the substrate screening effects, and can be described well by an image-charge model. For a Kr/Xe bilayer system prepared by first coating a Pd substrate with a monolayer of Kr and then overcoating with a layer of Xe, a thermally activated layer inversion process is observed when the temperature is raised, with Xe coming in direct contact with the substrate. For rare gas submonolayers adsorbed on the Al(111) surface, coverage-dependent core level shift and work function measurements provide information about the adatom spatial distributions, polarizabilities, and dipole moments for the ground and excited states. We have also studied the 2p core level shifts for a clean Al(001) surface relative to the bulk. The shifts have a large contribution from the initial-state effects

  13. Heterogeneous membranes filled with hypercrosslinked microparticle adsorbent

    Czech Academy of Sciences Publication Activity Database

    Hradil, Jiří; Krystl, V.; Hrabánek, P.; Bernauer, B.; Kočiřík, Milan

    2005-01-01

    Roč. 65, 1-2 (2005), s. 57-68 ISSN 1381-5148 R&D Projects: GA ČR GA104/03/0680 Institutional research plan: CEZ:AV0Z40500505 Keywords : heterogeneous membranes * hypercrosslinked adsorbent * microparticle s Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.565, year: 2005

  14. Structural and electronic properties of the adsorbed and defected Cu nanowires: A density-functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Ying-Ni [College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi (China); Department of Medical Engineering and Technology, Xinjiang Medical University, Urumqi 830011, Xinjiang (China); Zhang, Jian-Min, E-mail: jianm_zhang@yahoo.com [College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi (China); Fan, Xiao-Xi [Department of Medical Engineering and Technology, Xinjiang Medical University, Urumqi 830011, Xinjiang (China); Xu, Ke-Wei [College of Physics and Mechanical and Electronic Engineering, Xian University of Arts and Science, Xian 710065, Shaanxi (China)

    2014-12-01

    Using first-principles calculations based on density-functional theory, we systematically investigate the influence of adsorbates (CO molecule and O atom) and defects (adsorb one extra Cu atom and monovacancy) on the structural and electronic properties of Cu{sub 5-1}NW and Cu{sub 6-1}NW. For both nanowires, CO molecule prefers to adsorb on the top site, while O atom prefers to adsorb on the center site. The hybridization between the CO and Cu states is dominated by the donation–backdonation process, which leads to the formation of bonding/antibonding pairs, 5σ{sub b}/5σ{sub a} and 2π{sub b}{sup ⁎}/2π{sub a}{sup ⁎}. The larger adsorption energies, larger charge transfers to O adatom and larger decrease in quantum conductance 3G{sub 0} for an O atom adsorbed on the Cu{sub 5-1}NW and Cu{sub 6-1}NW show both Cu{sub 5-1}NW and Cu{sub 6-1}NW can be used as an O sensor. Furthermore, the decrease in quantum conductance 1G{sub 0} for a CO molecule adsorbed on the Cu{sub 6-1}NW also shows the Cu{sub 6-1}NW can be used to detect CO molecule. So we expect these results may have implications for CuNW based chemical sensing. High adsorption energy of one extra Cu atom and relatively low formation energy of a monovacancy suggest that these two types of defects are likely to occur in the fabrication of CuNWs. One extra Cu atom does not decrease the quantum conductance, while a Cu monovacancy leads to a drop of the quantum conductance.

  15. Constructing a proton titration curve from ion-step measurements, applied to a membrane with adsorbed protein

    NARCIS (Netherlands)

    Eijkel, Jan C.T.; Bosch, Coen; Olthuis, Wouter; Bergveld, Piet

    1997-01-01

    A new measuring method is described for obtaining a proton titration curve. The curve is obtained from a microporous composite membrane, consisting of polystyrene beads in an agarose matrix, with lysozyme molecules adsorbed to the bead surface. The membrane is incorporated into a sensor system by

  16. Explosive coalescence of magnetic islands and explosive particle acceleration

    International Nuclear Information System (INIS)

    Tajima, T.; Sakai, J.I.

    1985-07-01

    An explosive reconnection process associated with the nonlinear evolution of the coalescence instability is found through studies of the electromagnetic particle simulation and the magnetohydrodynamic particle simulation. The explosive coalescence is a process of magnetic collapse, in which we find the magnetic and electrostatic field energies and temperatures (ion temperature in the coalescing direction, in particular) explode toward the explosion time t 0 as (t 0 - t)/sup -8/3/, (t 0 - t) -4 , and (t 0 - t)/sup -8/3/, respectively for a canonical case. Single-peak, double-peak, and triple-peak structures of magnetic energy, temperature, and electrostatic energy, respectively, are observed on the simulation as overshoot amplitude oscillations and are theoretically explained. The heuristic model of Brunel and Tajima is extended to this explosive coalescence in order to extract the basic process. Since the explosive coalescence exhibits self-similarity, a temporal universality, we theoretically search for a self-similar solution to the two-fluid plasma equations

  17. The effect of explosive percentage on underwater explosion energy release of hexanitrohexaazaisowurtzitane and octogen based aluminized explosives

    Directory of Open Access Journals (Sweden)

    Qingjie Jiao

    2018-03-01

    Full Text Available To control the explosion energy output by optimizing explosive components is a key requirement in a number of different application areas. The effect of different Al/O Ratio on underwater explosion of aluminized explosives has been studied detailedly. However, the effect of explosive percentage in the same Al/O Ratio is rarely researched, especially for Hexanitrohexaazaisowurtzitane (CL-20 based aluminized explosives. In this study, we performed the underwater explosion experiments with 1.2-kilogram explosives in order to investigate the explosion energy released from CL-20 and Octogen (HMX based aluminized explosives. The percentage of the explosive varied from 5% to 30% and it is shown that: the shockwave peak pressure (pm grows gradually; shock wave energy (Es continues increasing, bubble energy (Eb increases then decreases peaking at 15% for both formulas, and the total energy (E and energy release rate (η peak at 20% for CL-20 and 15% for HMX. This paper outlines the physical mechanism of Eb change under the influence of an aluminium initial reaction temperature and reaction active detonation product percentage coupling. The result shows that CL-20 is superior as a new high explosive and has promising application prospects in the regulation of explosive energy output for underwater explosives.

  18. The effect of explosive percentage on underwater explosion energy release of hexanitrohexaazaisowurtzitane and octogen based aluminized explosives

    Science.gov (United States)

    Jiao, Qingjie; Wang, Qiushi; Nie, Jianxin; Guo, Xueyong; Zhang, Wei; Fan, Wenqi

    2018-03-01

    To control the explosion energy output by optimizing explosive components is a key requirement in a number of different application areas. The effect of different Al/O Ratio on underwater explosion of aluminized explosives has been studied detailedly. However, the effect of explosive percentage in the same Al/O Ratio is rarely researched, especially for Hexanitrohexaazaisowurtzitane (CL-20) based aluminized explosives. In this study, we performed the underwater explosion experiments with 1.2-kilogram explosives in order to investigate the explosion energy released from CL-20 and Octogen (HMX) based aluminized explosives. The percentage of the explosive varied from 5% to 30% and it is shown that: the shockwave peak pressure (pm) grows gradually; shock wave energy (Es) continues increasing, bubble energy (Eb) increases then decreases peaking at 15% for both formulas, and the total energy (E) and energy release rate (η) peak at 20% for CL-20 and 15% for HMX. This paper outlines the physical mechanism of Eb change under the influence of an aluminium initial reaction temperature and reaction active detonation product percentage coupling. The result shows that CL-20 is superior as a new high explosive and has promising application prospects in the regulation of explosive energy output for underwater explosives.

  19. Molecular Outflows: Explosive versus Protostellar

    Energy Technology Data Exchange (ETDEWEB)

    Zapata, Luis A.; Rodríguez, Luis F.; Palau, Aina; Loinard, Laurent [Instituto de Radioastronomía y Astrofísica, UNAM, Apdo. Postal 3-72 (Xangari), 58089 Morelia, Michoacán, México (Mexico); Schmid-Burgk, Johannes [Max-Planck-Institut für Radioastronomie, Auf dem Hügel 69, D-53121, Bonn (Germany)

    2017-02-10

    With the recent recognition of a second, distinctive class of molecular outflows, namely the explosive ones not directly connected to the accretion–ejection process in star formation, a juxtaposition of the morphological and kinematic properties of both classes is warranted. By applying the same method used in Zapata et al., and using {sup 12}CO( J = 2-1) archival data from the Submillimeter Array, we contrast two well-known explosive objects, Orion KL and DR21, to HH 211 and DG Tau B, two flows representative of classical low-mass protostellar outflows. At the moment, there are only two well-established cases of explosive outflows, but with the full availability of ALMA we expect that more examples will be found in the near future. The main results are the largely different spatial distributions of the explosive flows, consisting of numerous narrow straight filament-like ejections with different orientations and in almost an isotropic configuration, the redshifted with respect to the blueshifted components of the flows (maximally separated in protostellar, largely overlapping in explosive outflows), the very-well-defined Hubble flow-like increase of velocity with distance from the origin in the explosive filaments versus the mostly non-organized CO velocity field in protostellar objects, and huge inequalities in mass, momentum, and energy of the two classes, at least for the case of low-mass flows. Finally, all the molecular filaments in the explosive outflows point back to approximately a central position (i.e., the place where its “exciting source” was located), contrary to the bulk of the molecular material within the protostellar outflows.

  20. Oxidation of monovacancies in graphene by oxygen molecules

    KAUST Repository

    Kaloni, Thaneshwor P.

    2011-10-14

    We study the oxidation of monovacancies in graphene by oxygen molecules using first principles calculations. In particular, we address the local magnetic moments which develop at monovacancies and show that they remain intact when a molecule is adsorbed such that the dangling carbon bonds are not fully saturated. However, the lowest energy configuration does not maintain dangling bonds and is found to be semiconducting. Our data can explain the experimentally observed behavior of graphene under exposure to an oxygen plasma.

  1. Oxidation of monovacancies in graphene by oxygen molecules

    KAUST Repository

    Kaloni, Thaneshwor P.; Cheng, Yingchun; Faccio, R.; Schwingenschlö gl, Udo

    2011-01-01

    We study the oxidation of monovacancies in graphene by oxygen molecules using first principles calculations. In particular, we address the local magnetic moments which develop at monovacancies and show that they remain intact when a molecule is adsorbed such that the dangling carbon bonds are not fully saturated. However, the lowest energy configuration does not maintain dangling bonds and is found to be semiconducting. Our data can explain the experimentally observed behavior of graphene under exposure to an oxygen plasma.

  2. The adsorber loop concept for the contact between seawater and adsorber granulate

    International Nuclear Information System (INIS)

    Koske, P.H.; Ohlrogge, K.

    1984-01-01

    The present paper deals with the so-called ''adsorber loop concept'' in which the adsorber granulate is carried along with the seawater to be processed in a loop-like configuration and is separated again from the depleted water before this is leaving the adsorption unit. This concept enables high seawater velocities thus reducing the required bed area. Theoretical considerations are presented together with experimental results from field tests. (orig.) [de

  3. Possible pore size effects on the state of tris(8-quinolinato)aluminum(III) (Alq3) adsorbed in mesoporous silicas and their temperature dependence.

    Science.gov (United States)

    Tagaya, Motohiro; Ogawa, Makoto

    2008-12-07

    The states of tris(8-quinolinato)aluminum(III) (Alq3) adsorbed in mesoporous silicas with different pore sizes (2.5, 3.1 and 5.0 nm) were investigated. Alq3 was successfully occluded into the mesoporous silicas from solution and the adsorbed amount of Alq3 per BET surface area was effectively controlled by changing the added amount Alq3 to the solution. The state of Alq3 in the mesopore varied depending on the pore size as well as the adsorbed amount of Alq3 as revealed by variation of the photoluminescence spectra. The luminescence of the adsorbed Alq3 was found to be temperature-dependent, indicating the mobility of the adsorbed Alq3 to temperature variations. The temperature-dependence also depended on the pore size. The guest-guest interactions between Alq3 molecules as well as the host-guest interactions between Alq3 and the mesopore were controlled by the pore size.

  4. General phenomenology of underground nuclear explosions

    International Nuclear Information System (INIS)

    Derlich, S.; Supiot, F.

    1969-01-01

    An essentially qualitatively description is given of the phenomena related to underground nuclear explosions (explosion of a single unit, of several units in line, and simultaneous explosions). In the first chapter are described the phenomena which are common to contained explosions and to explosions forming craters (formation and propagation of a shock-wave causing the vaporization, the fusion and the fracturing of the medium). The second chapter describes the phenomena related to contained explosions (formation of a cavity with a chimney). The third chapter is devoted to the phenomenology of test explosions which form a crater; it describes in particular the mechanism of formation and the different types of craters as a function of the depth of the explosion and of the nature of the ground. The aerial phenomena connected with explosions which form a crater: shock wave in the air and focussing at a large distance, and dust clouds, are also dealt with. (authors) [fr

  5. Electronic spectral properties of surfaces and adsorbates and atom-adsorbate van der Waals interactions

    International Nuclear Information System (INIS)

    Lovric, D.; Gumhalter, B.

    1988-01-01

    The relevance of van der Waals interactions in the scattering of neutral atoms from adsorbates has been recently confirmed by highly sensitive molecular-beam techniques. The theoretical descriptions of the collision dynamics which followed the experimental studies have necessitated very careful qualitative and quantitative examinations and evaluations of the properties of atom-adsorbate van der Waals interactions for specific systems. In this work we present a microscopic calculation of the strengths and reference-plane positions for van der Waals potentials relevant for scattering of He atoms from CO adsorbed on various metallic substrates. In order to take into account the specificities of the polarization properties of real metals (noble and transition metals) and of chemisorbed CO, we first calculate the spectra of the electronic excitations characteristic of the respective electronic subsystems by using various data sources available and combine them with the existing theoretical models. The reliability of the calculated spectra is then verified in each particular case by universal sum rules which may be established for the electronic excitations of surfaces and adsorbates. The substrate and adsorbate polarization properties which derive from these calculations serve as input data for the evaluation of the strengths and reference-plane positions of van der Waals potentials whose computed values are tabulated for a number of real chemisorption systems. The implications of the obtained results are discussed in regard to the atom-adsorbate scattering cross sections pertinent to molecular-beam scattering experiments

  6. Electromagnetic field effects in explosives

    Science.gov (United States)

    Tasker, Douglas

    2009-06-01

    Present and previous research on the effects of electromagnetic fields on the initiation and detonation of explosives and the electromagnetic properties of explosives are reviewed. Among the topics related to detonating explosives are: measurements of conductivity; enhancement of performance; and control of initiation and growth of reaction. Hayes...()^1 showed a strong correlation of peak electrical conductivity with carbon content of the detonation products. Ershov.......^2 linked detailed electrical conductivity measurements with reaction kinetics and this work was extended to enhance detonation performance electrically;...^3 for this, electrical power densities of the order of 100 TW/m^2 of explosive surface normal to the detonation front were required. However, small electrical powers are required to affect the initiation and growth of reaction.......^4,5 A continuation of this work will be reported. LA-UR 09-00873 .^1 B. Hayes, Procs. of 4th Symposium (International) on Detonation (1965), p. 595. ^2 A. Ershov, P. Zubkov, and L. Luk'yanchikov, Combustion, Explosion, and Shock Waves 10, 776-782 (1974). ^3 M. Cowperthwaite, Procs. 9th Detonation Symposium (1989), p. 388-395. ^4 M. A. Cook and T. Z. Gwyther, ``Influence of Electric Fields on Shock to Detonation Transition,'' (1965). ^5 D. Salisbury, R. Winter, and L. Biddle, Procs. of the APS Topical Conference on Shock Compression of Condensed Matter (2005) p. 1010-1013.

  7. Characterization of Adsorbents for Cytokine Removal from Blood in an In Vitro Model.

    Science.gov (United States)

    Harm, Stephan; Gabor, Franz; Hartmann, Jens

    2015-01-01

    Cytokines are basic targets that have to be removed effectively in order to improve the patient's health status in treating severe inflammation, sepsis, and septic shock. Although there are different adsorbents commercially available, the success of their clinical use is limited. Here, we tested different adsorbents for their effective removal of cytokines from plasma and the resulting effect on endothelial cell activation. The three polystyrene divinylbenzene (PS-DVB) based adsorbents Amberchrom CG161c and CG300m and a clinically approved haemoperfusion adsorbent (HAC) were studied with regard to cytokine removal in human blood. To induce cytokine release from leucocytes, human blood cells were stimulated with 1 ng/ml LPS for 4 hours. Plasma was separated and adsorption experiments in a dynamic model were performed. The effect of cytokine removal on endothelial cell activation was evaluated using a HUVEC-based cell culture model. The beneficial outcome was assessed by measuring ICAM-1, E-selectin, and secreted cytokines IL-8 and IL-6. Additionally the threshold concentration for HUVEC activation by TNF-α and IL-1β was determined using this cell culture model. CG161c showed promising results in removing the investigated cytokines. Due to its pore size the adsorbent efficiently removed the key factor TNF-α, outperforming the commercially available adsorbents. The CG161c treatment reduced cytokine secretion and expression of cell adhesion molecules by HUVEC which underlines the importance of effective removal of TNF-α in inflammatory diseases. These results confirm the hypothesis that cytokine removal from the blood should approach physiological levels in order to reduce endothelial cell activation.

  8. Sulfur removal from fuel using zeolites/polyimide mixed matrix membrane adsorbents

    International Nuclear Information System (INIS)

    Lin, Ligang; Wang, Andong; Dong, Meimei; Zhang, Yuzhong; He, Benqiao; Li, Hong

    2012-01-01

    Graphical abstract: Membrane adsorption process is proposed for sulfur removal. Three-dimensional network structure is key to fulfill adsorption function of MMMs, which adsorption/desorption behavior is markedly related with binding force with sulfur molecules. Highlights: ► Membrane adsorption process is proposed for sulfur removal. ► Three-dimensional network structure of MMMs is key to fulfill adsorption function. ► Adsorption/desorption behavior is markedly related with binding force. - Abstract: A novel membrane adsorption process was proposed for the sulfur removal from fuels. The mixed matrix membranes (MMMs) adsorbents composed of polyimide (PI) and various Y zeolites were prepared. By the detailed characterization of FT-IR, morphology, thermal and mechanical properties of MMMs adsorbents, combining the adsorption and desorption behavior research, the process–structure–function relationship was discussed. Field-emission scanning electron microscope (FESEM) images show that the functional particles are incorporated into the three-dimensional network structure. MMMs adsorbents with 40% of zeolites content possess better physical properties, which was confirmed by mechanical strength and thermo stability analysis. Influence factors including post-treatment, content of incorporated zeolites, adsorption time, temperature, initial sulfur concentration as well as sulfur species on the adsorption performance of MMMs adsorbents have been evaluated. At 4 wt.% zeolites content, adsorption capacity for NaY/PI, AgY/PI and CeY/PI MMMs adsorbents come to 2.0, 7.5 and 7.9 mg S/g, respectively. And the regeneration results suggest that the corresponding spent membranes can recover about 98%, 90% and 70% of the desulfurization capacity, respectively. The distinct adsorption and desorption behavior of MMMs adsorbents with various functional zeolites was markedly related with their various binding force and binding mode with sulfur compounds.

  9. Observing single molecule chemical reactions on metal nanoparticles.

    Energy Technology Data Exchange (ETDEWEB)

    Emory, S. R. (Steven R.); Ambrose, W. Patrick; Goodwin, P. M. (Peter M); Keller, Richard A.

    2001-01-01

    We report the study of the photodecomposition of single Rhodamine 6G (R6G) dye molecules adsorbed on silver nanoparticles. The nanoparticles were immobilized and spatially isolated on polylysine-derivatized glass coverslips, and confocal laser microspectroscopy was used to obtain surface-enhanced Raman scattering (SERS) spectra from individual R6G molecules. The photodecomposition of these molecules was observed with 150-ms temporal resolution. The photoproduct was identified as graphitic carbon based on the appearance of broad SERS vibrational bands at 1592 cm{sup -1} and 1340 cm{sup -1} observed in both bulk and averaged single-molecule photoproduct spectra. In contrast, when observed at the single-molecule level, the photoproduct yielded sharp SERS spectra. The inhomogeneous broadening of the bulk SERS spectra is due to a variety of photoproducts in different surface orientations and is a characteristic of ensemble-averaged measurements of disordered systems. These single-molecule studies indicate a photodecomposition pathway by which the R6G molecule desorbs from the metal surface, an excited-state photoreaction occurs, and the R6G photoproduct(s) readsorbs to the surface. A SERS spectrum is obtained when either the intact R6G or the R6G photoproduct(s) are adsorbed on a SERS-active site. This work further illustrates the power of single-molecule spectroscopy (SMS) to reveal unique behaviors of single molecules that are not discernable with bulk measurements.

  10. Trace level detection of explosives in solution using leidenfrost phenomenon assisted thermal desorption ambient mass spectrometry.

    Science.gov (United States)

    Saha, Subhrakanti; Mandal, Mridul Kanti; Chen, Lee Chuin; Ninomiya, Satoshi; Shida, Yasuo; Hiraoka, Kenzo

    2013-01-01

    The present paper demonstrates the detection of explosives in solution using thermal desorption technique at a temperature higher than Leidenfrost temperature of the solvent in combination with low temperature plasma (LTP) ionization. Leidenfrost temperature of a solvent is the temperature above which the solvent droplet starts levitation instead of splashing when placed on a hot metallic surface. During this desorption process, slow and gentle solvent evaporation takes place, which leads to the pre-concentration of less-volatile explosive molecules in the droplet and the explosive molecules are released at the last moment of droplet evaporation. The limits of detection for explosives studied by using this thermal desorption LTP ionization method varied in a range of 1 to 10 parts per billion (ppb) using a droplet volume of 20 μL (absolute sample amount 90-630 fmol). As LTP ionization method was applied and ion-molecule reactions took place in ambient atmosphere, various ion-molecule adduct species like [M+NO2](-), [M+NO3](-), [M+HCO3](-), [M+HCO4](-) were generated together with [M-H](-) peak. Each peak was unambiguously identified using 'Exactive Orbitrap' mass spectrometer in negative ionization mode within 3 ppm deviation compared to its exact mass. This newly developed technique was successfully applied to detect four explosives contained in the pond water and soil sample with minor sample pre-treatment and the explosives were detected with ppb levels. The present method is simple, rapid and can detect trace levels of explosives with high specificity from solutions.

  11. Inhomogeneous wire explosion in water

    International Nuclear Information System (INIS)

    Hwangbo, C.K.; Kong, H.J.; Lee, S.S.

    1980-01-01

    Inhomogeneous processes are observed in underwater copper wire explosion induced by a condensed capacitor discharge. The wire used is 0.1 mm in diameter and 10 mm long, and the capacitor of 2 μF is charged to 5 KV. A N 2 laser is used for the diagnostic of spatial extension of exploding copper vapour. The photographs obtained in this experiment show unambiguously the inhomogeneous explosion along the exploding wire. The quenching of plasma by the surrounding water inhibits the expansion of the vapour. It is believed the observed inhomogeneous explosion along the wire is located and localized around Goronkin's striae, which was first reported by Goronkin and discussed by Froengel as a pre-breakdown phenomenon. (author)

  12. Seismic coupling of nuclear explosions

    International Nuclear Information System (INIS)

    Larson, D.B.

    1989-01-01

    The new Giant Magnet Experimental Facility employing digital recording of explosion induced motion has been constructed and successfully tested. Particle velocity and piezoresistance gage responses can be measured simultaneously thus providing the capability for determining the multi-component stress-strain history in the test material. This capability provides the information necessary for validation of computer models used in simulation of nuclear underground testing, chemical explosion testing, dynamic structural response, earth penetration response, and etc. This report discusses fully coupled and cavity decoupled explosions of the same energy (0.622 kJ) were carried out as experiments to study wave propagation and attenuation in polymethylmethacrylate (PMMA). These experiments produced particle velocity time histories at strains from 2 x 10 -3 to as low as 5.8 x 10 -6 . Other experiments in PMMA, reported recently by Stout and Larson 8 provide additional particle velocity data to strains of 10 -1

  13. Optimal dynamic detection of explosives

    Energy Technology Data Exchange (ETDEWEB)

    Moore, David Steven [Los Alamos National Laboratory; Mcgrane, Shawn D [Los Alamos National Laboratory; Greenfield, Margo T [Los Alamos National Laboratory; Scharff, R J [Los Alamos National Laboratory; Rabitz, Herschel A [PRINCETON UNIV; Roslund, J [PRINCETON UNIV

    2009-01-01

    The detection of explosives is a notoriously difficult problem, especially at stand-off distances, due to their (generally) low vapor pressure, environmental and matrix interferences, and packaging. We are exploring optimal dynamic detection to exploit the best capabilities of recent advances in laser technology and recent discoveries in optimal shaping of laser pulses for control of molecular processes to significantly enhance the standoff detection of explosives. The core of the ODD-Ex technique is the introduction of optimally shaped laser pulses to simultaneously enhance sensitivity of explosives signatures while reducing the influence of noise and the signals from background interferents in the field (increase selectivity). These goals are being addressed by operating in an optimal nonlinear fashion, typically with a single shaped laser pulse inherently containing within it coherently locked control and probe sub-pulses. With sufficient bandwidth, the technique is capable of intrinsically providing orthogonal broad spectral information for data fusion, all from a single optimal pulse.

  14. Calculating overpressure from BLEVE explosions

    Energy Technology Data Exchange (ETDEWEB)

    Planas-Cuchi, E.; Casal, J. [Universitat Politecnica de Catalunya, Barcelona (Spain). Department of Chemical Engineering, Centre for Technological Risk Studies; Salla, J.M. [Universitat Politecnica de Catalunya, Barcelona (Spain). Department of Heat Engines

    2004-11-01

    Although a certain number of authors have analyzed the prediction of boiling liquid expanding vapour explosion (BLEVE) and fireball effects, only very few of them have proposed methodologies for predicting the overpressure from such explosions. In this paper, the methods previously published are discussed and shown to introduce a significant overestimation due to erroneous thermodynamic assumptions - ideal gas behaviour and isentropic vapour expansion - on which they are based (in fact, they give the maximum value of overpressure which can be caused by a BLEVE). A new approach is proposed, based on the - more realistic - assumption of an adiabatic and irreversible expansion process; the real properties of the substance involved in the explosion are used. The two methods are compared through the application to a given case. (author)

  15. The vapor pressures of explosives

    Energy Technology Data Exchange (ETDEWEB)

    Ewing, Robert G.; Waltman, Melanie J.; Atkinson, David A.; Grate, Jay W.; Hotchkiss, Peter

    2013-01-05

    The vapor pressures of many explosive compounds are extremely low and thus determining accurate values proves difficult. Many researchers, using a variety of methods, have measured and reported the vapor pressures of explosives compounds at single temperatures, or as a function of temperature using vapor pressure equations. There are large variations in reported vapor pressures for many of these compounds, and some errors exist within individual papers. This article provides a review of explosive vapor pressures and describes the methods used to determine them. We have compiled primary vapor pressure relationships traceable to the original citations and include the temperature ranges for which they have been determined. Corrected values are reported as needed and described in the text. In addition, after critically examining the available data, we calculate and tabulate vapor pressures at 25 °C.

  16. Evidence for nearby supernova explosions

    International Nuclear Information System (INIS)

    Benitez, Narciso; Maiz-Apellaniz, Jesus; Canelles, Matilde

    2002-01-01

    Supernova (SN) explosions are one of the most energetic--and potentially lethal--phenomena in the Universe. We show that the Scorpius-Centaurus OB association, a group of young stars currently located at ∼130 pc from the Sun, has generated 20 SN explosions during the last 11 Myr, some of them probably as close as 40 pc to our planet. The deposition on Earth of 60 Fe atoms produced by these explosions can explain the recent measurements of an excess of this isotope in deep ocean crust samples. We propose that ∼2 Myr ago, one of the SNe exploded close enough to Earth to seriously damage the ozone layer, provoking or contributing to the Pliocene-Pleistocene boundary marine extinction

  17. Adsorbents for radioactive organic solvent wastes

    International Nuclear Information System (INIS)

    Ichinose, Shigeo; Kiribayashi, Takehiko.

    1986-01-01

    Purpose: To enable to settle radioactive solvents such as tributyl phosphate (TBP) and n-dodecane as they are without using hydrophobicizing agent such as quaternary ammonium salts. Constitution: The adsorbents are prepared by replacing interlaminer ions of swelling-type synthetic mica with alkaline earth metals or metal ions. For instance, synthetic micas introduced with Zr 4+ or Ca 2+ between the layers provide quite different functions from those of starting materials due to the properties of ions introduced between the layers. That is, they provide an intense affinity to organic phosphates such as TBP and transform into material showing a property of adsorbing and absorbing them. Particularly, the fixing nature to the phosphor content constituting TBP is significantly increased. (Horiuchi, T.)

  18. Analysis of Adsorbed Natural Gas Tank Technology

    Science.gov (United States)

    Knight, Ernest; Schultz, Conrad; Rash, Tyler; Dohnke, Elmar; Stalla, David; Gillespie, Andrew; Sweany, Mark; Seydel, Florian; Pfeifer, Peter

    With gasoline being an ever decreasing finite resource and with the desire to reduce humanity's carbon footprint, there has been an increasing focus on innovation of alternative fuel sources. Natural gas burns cleaner, is more abundant, and conforms to modern engines. However, storing compressed natural gas (CNG) requires large, heavy gas cylinders, which limits space and fuel efficiency. Adsorbed natural gas (ANG) technology allows for much greater fuel storage capacity and the ability to store the gas at a much lower pressure. Thus, ANG tanks are much more flexible in terms of their size, shape, and weight. Our ANG tank employs monolithic nanoporous activated carbon as its adsorbent material. Several different configurations of this Flat Panel Tank Assembly (FPTA) along with a Fuel Extraction System (FES) were examined to compare with the mass flow rate demands of an engine.

  19. Adsorption of aromatic compounds by carbonaceous adsorbents: a comparative study on granular activated carbon, activated carbon fiber, and carbon nanotubes.

    Science.gov (United States)

    Zhang, Shujuan; Shao, Ting; Kose, H Selcen; Karanfil, Tanju

    2010-08-15

    Adsorption of three aromatic organic compounds (AOCs) by four types of carbonaceous adsorbents [a granular activated carbon (HD4000), an activated carbon fiber (ACF10), two single-walled carbon nanotubes (SWNT, SWNT-HT), and a multiwalled carbon nanotube (MWNT)] with different structural characteristics but similar surface polarities was examined in aqueous solutions. Isotherm results demonstrated the importance of molecular sieving and micropore effects in the adsorption of AOCs by carbonaceous porous adsorbents. In the absence of the molecular sieving effect, a linear relationship was found between the adsorption capacities of AOCs and the surface areas of adsorbents, independent of the type of adsorbent. On the other hand, the pore volume occupancies of the adsorbents followed the order of ACF10 > HD4000 > SWNT > MWNT, indicating that the availability of adsorption site was related to the pore size distributions of the adsorbents. ACF10 and HD4000 with higher microporous volumes exhibited higher adsorption affinities to low molecular weight AOCs than SWNT and MWNT with higher mesopore and macropore volumes. Due to their larger pore sizes, SWNTs and MWNTs are expected to be more efficient in adsorption of large size molecules. Removal of surface oxygen-containing functional groups from the SWNT enhanced adsorption of AOCs.

  20. Ballistic thermophoresis of adsorbates on free-standing graphene.

    Science.gov (United States)

    Panizon, Emanuele; Guerra, Roberto; Tosatti, Erio

    2017-08-22

    The textbook thermophoretic force which acts on a body in a fluid is proportional to the local temperature gradient. The same is expected to hold for the macroscopic drift behavior of a diffusive cluster or molecule physisorbed on a solid surface. The question we explore here is whether that is still valid on a 2D membrane such as graphene at short sheet length. By means of a nonequilibrium molecular dynamics study of a test system-a gold nanocluster adsorbed on free-standing graphene clamped between two temperatures [Formula: see text] apart-we find a phoretic force which for submicron sheet lengths is parallel to, but basically independent of, the local gradient magnitude. This identifies a thermophoretic regime that is ballistic rather than diffusive, persisting up to and beyond a 100-nanometer sheet length. Analysis shows that the phoretic force is due to the flexural phonons, whose flow is known to be ballistic and distance-independent up to relatively long mean-free paths. However, ordinary harmonic phonons should only carry crystal momentum and, while impinging on the cluster, should not be able to impress real momentum. We show that graphene and other membrane-like monolayers support a specific anharmonic connection between the flexural corrugation and longitudinal phonons whose fast escape leaves behind a 2D-projected mass density increase endowing the flexural phonons, as they move with their group velocity, with real momentum, part of which is transmitted to the adsorbate through scattering. The resulting distance-independent ballistic thermophoretic force is not unlikely to possess practical applications.

  1. Band mapping of surface states vs. adsorbate coverage

    International Nuclear Information System (INIS)

    Rotenberg, E.; Kevan, S.D.; Denlinger, J.D.; Chung, Jin-Wook

    1997-01-01

    The theory of electron bands, which arises from basic quantum mechanical principles, has been the cornerstone of solid state physics for over 60 years. Simply put, an energy band is an electron state in a solid whose energy varies with its momentum (similar to, but with a more complicated dependence than, how a free electron's energy is proportional to its momentum squared). Much attention over the last 15 years has been given to the study of band structure of surfaces and interfaces, especially as the applications of these two-dimensional systems have become increasingly important to industry and science. The ultraESCA endstation at beamline 7.01 at the Advanced Light Source was developed for very high-energy - (∼50 meV) and angular - ( 12 photons/sec) makes the detailed study of the evolution of bands possible. The authors are interested in learning how, when one forms a chemical bond between a metal and an overlaying atom or molecule, the resulting charge transfer to or from the adsorbate affects the surface bands. In some cases of interest, intermediate coverages lead to different band structure than at the extremes of clean and saturated surfaces. Surfaces of tungsten are particularly interesting, as their atomic geometry has been shown to be exquisitely sensitive to both the surface vibrational and electronic properties. In this study, the authors looked at the surface bands of tungsten ((110) surface), as a function both of coverage and mass of overlaying atoms. The adsorbed atoms were hydrogen and the alkali atoms lithium and cesium

  2. ICPP custom dissolver explosion recovery

    International Nuclear Information System (INIS)

    Demmer, R.; Hawk, R.

    1992-01-01

    This report discusses the recovery from the February 9, 1991 small scale explosion in a custom processing dissolver at the Idaho Chemical Processing Plant. Custom processing is a small scale dissolution facility which processes nuclear material in an economical fashion. The material dissolved in this facility was uranium metal, uranium oxides, and uranium/fissium alloy in nitric acid. The paper explained the release of fission material, and the decontamination and recovery of the fuel material. The safety and protection procedures were also discussed. Also described was the chemical analysis which was used to speculate the most probable cause of the explosion. (MB)

  3. Explosions in Landau Vlasov dynamics

    International Nuclear Information System (INIS)

    Suraud, E.; Cussol, D.; Gregoire, C.; Boilley, D.; Pi, M.; Schuck, P.; Remaud, B.; Sebille, F.

    1988-01-01

    A microscopic study of the quasi-fusion/explosion transition is presented in the framework of Landau-Vlasov simulations of intermediate energy heavy-ion collisions (bombarding energies between 10 and 100 MeV/A). A detailed analysis in terms of the Equation of State of the system is performed. In agreement with schematic models we find that the composite nuclear system formed in the collision does explode when it stays long enough in the mechanically unstable region (spinodal region). Quantitative estimates of the explosion threshold are given for central symmetric reactions (Ca+Ca and Ar+Ti). The effect of the nuclear matter compressibility modulus is discussed

  4. System for detecting nuclear explosions

    International Nuclear Information System (INIS)

    Rawls, L.E.

    1978-01-01

    Apparatus for detecting underground nuclear explosions is described that is comprised of an antenna located in the dielectric substance of a deep waveguide in the earth and adapted to detect low frequency electromagnetic waves generated by a nuclear explosion, the deep waveguide comprising the high conductivity upper sedimentary layers of the earth, the dielectric basement rock, and a high conductivity layer of basement rock due to the increased temperature thereof at great depths, and means for receiving the electromagnetic waves detected by said antenna means

  5. Biological consequences of atomic explosions

    International Nuclear Information System (INIS)

    Messerschmidt, O.

    1984-01-01

    After an introductory chapter of the development and properties of nuclear weapons and the events of Hiroshima and Nagasaki, this books shows the effects of atomic explosions for man: effects of the pressure wave, thermal radiation, initial nuclear radiation alone or in conjunction and possible medical help. In addition the less massive damage caused by induced radioactivity and fallout, their prevention resp. treatment and the malignant/nonmalignant late effects are discussed. A further chapter deals with the psychological and epidemiological effects of atomic explosions, the consequences for food and water supply, and the construction of shetters. The last chapter is concerned with the problem of organising medical help. (MG) [de

  6. Green Adsorbents for Wastewaters: A Critical Review

    Directory of Open Access Journals (Sweden)

    George Z. Kyzas

    2014-01-01

    Full Text Available One of the most serious environmental problems is the existence of hazardous and toxic pollutants in industrial wastewaters. The major hindrance is the simultaneous existence of many/different types of pollutants as (i dyes; (ii heavy metals; (iii phenols; (iv pesticides and (v pharmaceuticals. Adsorption is considered to be one of the most promising techniques for wastewater treatment over the last decades. The economic crisis of the 2000s led researchers to turn their interest in adsorbent materials with lower cost. In this review article, a new term will be introduced, which is called “green adsorption”. Under this term, it is meant the low-cost materials originated from: (i agricultural sources and by-products (fruits, vegetables, foods; (ii agricultural residues and wastes; (iii low-cost sources from which most complex adsorbents will be produced (i.e., activated carbons after pyrolysis of agricultural sources. These “green adsorbents” are expected to be inferior (regarding their adsorption capacity to the super-adsorbents of previous literature (complex materials as modified chitosans, activated carbons, structurally-complex inorganic composite materials etc., but their cost-potential makes them competitive. This review is a critical approach to green adsorption, discussing many different (maybe in some occasions doubtful topics such as: (i adsorption capacity; (ii kinetic modeling (given the ultimate target to scale up the batch experimental data to fixed-bed column calculations for designing/optimizing commercial processes and (iii critical techno-economical data of green adsorption processes in order to scale-up experiments (from lab to industry with economic analysis and perspectives of the use of green adsorbents.

  7. Generating Atomistic Slab Surfaces with Adsorbates

    Science.gov (United States)

    2017-12-01

    slabs of various thickness and with various vacuum spacing need be calculated. This can occur in serial or simultaneously . If performed in serial, the...the user. Although the optimization of the slab thickness and vacuum padding can be done simultaneously , it is more computationally conservative to...monolayer is a slab (True if slab), the type of mesh desired (adsorbates.py was written for “Gamma”), how detailed the mesh should be (in units of inverse

  8. Green Adsorbents for Wastewaters: A Critical Review

    Science.gov (United States)

    Kyzas, George Z.; Kostoglou, Margaritis

    2014-01-01

    One of the most serious environmental problems is the existence of hazardous and toxic pollutants in industrial wastewaters. The major hindrance is the simultaneous existence of many/different types of pollutants as (i) dyes; (ii) heavy metals; (iii) phenols; (iv) pesticides and (v) pharmaceuticals. Adsorption is considered to be one of the most promising techniques for wastewater treatment over the last decades. The economic crisis of the 2000s led researchers to turn their interest in adsorbent materials with lower cost. In this review article, a new term will be introduced, which is called “green adsorption”. Under this term, it is meant the low-cost materials originated from: (i) agricultural sources and by-products (fruits, vegetables, foods); (ii) agricultural residues and wastes; (iii) low-cost sources from which most complex adsorbents will be produced (i.e., activated carbons after pyrolysis of agricultural sources). These “green adsorbents” are expected to be inferior (regarding their adsorption capacity) to the super-adsorbents of previous literature (complex materials as modified chitosans, activated carbons, structurally-complex inorganic composite materials etc.), but their cost-potential makes them competitive. This review is a critical approach to green adsorption, discussing many different (maybe in some occasions doubtful) topics such as: (i) adsorption capacity; (ii) kinetic modeling (given the ultimate target to scale up the batch experimental data to fixed-bed column calculations for designing/optimizing commercial processes) and (iii) critical techno-economical data of green adsorption processes in order to scale-up experiments (from lab to industry) with economic analysis and perspectives of the use of green adsorbents. PMID:28788460

  9. Adsorbate Diffusion on Transition Metal Nanoparticles

    Science.gov (United States)

    2015-01-01

    correlation is a Bronsted-Evans-Polanyi ( BEP )- type of correlation, similar to other BEP correlations established earlier for surface-catalyzed bond- breaking...bond-making reactions.6-9 The universal BEP -type correlation is independent of the nature of the adsorbed species and that of the metal surface. For...a certain class of surface-catalyzed reactions, the existence of a BEP -type correlation reflects a similarity between the geometry of the transition

  10. Theoretical Insight of Physical Adsorption for a Single-Component Adsorbent + Adsorbate System: I. Thermodynamic Property Surfaces

    KAUST Repository

    Chakraborty, Anutosh; Saha, Bidyut Baran; Ng, Kim Choon; Koyama, Shigeru; Srinivasan, Kandadai

    2009-01-01

    Thermodynamic property surfaces for a single-component adsorbent + adsorbate system are derived and developed from the viewpoint of classical thermodynamics, thermodynamic requirements of chemical equilibrium, Gibbs law, and Maxwell relations

  11. Biological adsorbent for water decontamination from uranium

    Energy Technology Data Exchange (ETDEWEB)

    Jilek, R [Vyzkumny Ustav Veterinarniho Lekarstvi, Brno-Medlanky (Czechoslovakia); Fuska, J; Nemec, P [Slovenska Vysoka Skola Technicka, Bratislava (Czechoslovakia). Chemickotechnologicka Fakulta

    1978-01-01

    A study was made into the capacity of native and heat-denaturated mycelium to adsorb uranium salts from solutions and into the effect of uranium on the growth of the microorganism biomass. The presence of uranium did not inhibit the growth of Penicillium and Aspergillus strains used at a concentration of up to 5x10/sup -4/ M/dm/sup 3/. Uranium added to a nutrient medium produced complexes with phosphorus ions which were adsorbed on the surface of growing hyphae, thus the removal of the mycelium also removed uranium. The results of the experiments with denaturated mycelium of the same strains suggested that uranium was also bound to the biomass with chemical bonds so that mycelium acted as a ''multifunction ion exchanger'' from which adsorbed uranium can be removed step by step by elution. A sorbent of a three-dimensional structure could be prepared from a dried native mycelium using reinforcing resins, which prevented leakage of the biomass. Uranium sorption by biosorbents is a function of the concentration of the cation sorbed and of the pH of the solution.

  12. Biological adsorbent for water decontamination from uranium

    International Nuclear Information System (INIS)

    Jilek, R.; Fuska, J.; Nemec, P.

    1978-01-01

    A study was made into the capacity of native and heat-denaturated mycelium to adsorb uranium salts from solutions and into the effect of uranium on the growth of the microorganism biomass. The presence of uranium did not inhibit the growth of Penicillium and Aspergillus strains used at a concentration of up to 5x10 -4 M/dm 3 . Uranium added to a nutrient medium produced complexes with phosphorus ions which were adsorbed on the surface of growing hyphae, thus the removal of the mycelium also removed uranium. The results of the experiments with denaturated mycelium of the same strains suggested that uranium was also bound to the biomass with chemical bonds so that mycelium acted as a ''multifunction ion exchanger'' from which adsorbed uranium can be removed step by step by elution. A sorbent of a three-dimensional structure could be prepared from a dried native mycelium using reinforcing resins, which prevented leakage of the biomass. Uranium sorption by biosorbents is a function of the concentration of the cation sorbed and of the pH of the solution. (author)

  13. Optimization of the elaboration conditions of an adsorber for the hydrogen storage; Optimisation des conditions d'elaboration d'un adsorbant pour le stockage d'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    Fierro, V.; Mareche, J.F.; Furdin, G. [Nancy-1 Univ. Henri Poincare, UMR - CNRS 7555, Laboratoire de Chimie du Solide Mineral, 54 - Vandoeuvre-les-Nancy (France); Szczurek, A.; Albiniak, A. [Wroclaw Univ. of Technology, Laboratory for Lignites and Carbon Adsorbents, Institute of Chemistry and Technology of Petroleum and Coal (Poland); Latroche, M. [Chimie Metallurgique des Terres Rares, ICMPE, UMR 7182, CNRS, 94 - Thiais (France); Celzard, A. [Nancy-Univ., ENSTIB, Laboratoire de Chimie du Solide Mineral, UMR CNRS 7555, 88 - Epinal (France)

    2008-07-01

    The microporous carbon are very efficient adsorbents for the hydrogen storage, because of pores size under 2 nm. This study describes the optimization of the elaboration conditions for a carbon adsorbent for the hydrogen storage by adsorption. The storage capacity has been measured at 25 C for 20 MPa and also at 77 K for pressures between 6 and 9 MPa. the porous texture characterization has been realized by four molecule probes of increasing diameter: CO{sub 2}, N{sub 2}, C{sub 6}H{sub 6} and CCl{sub 4}. (A.L.B.)

  14. Toluene and acetaldehyde removal from air on to graphene-based adsorbents with microsized pores.

    Science.gov (United States)

    Kim, Ji Min; Kim, Ji Hoon; Lee, Chang Yeon; Jerng, Dong Wook; Ahn, Ho Seon

    2018-02-15

    Volatile organic compound (VOC) gases can cause harm to the human body with exposure over the long term even at very low concentrations (ppmv levels); thus, effective absorbents for VOC gas removal are an important issue. In this study, accordingly, graphene-based adsorbents with microsized pores were used as adsorbents to remove toluene and acetaldehyde gases at low concentrations (30ppm). Sufficient amounts of the adsorbents were prepared for use on filters and were loaded uniformly at 0.1-0.5g on a 50×50mm 2 area, to evaluate their adsorption features with low gas concentrations. The morphology and chemical composition of the adsorbents were characterized using scanning electron microscopy, N 2 adsorption-desorption isotherms, X-ray photoelectron spectroscopy, and Raman spectroscopy. Microwave irradiation and heat treatment near 800°C under KOH activation resulted in enlargement of the pristine graphene surface and its specific surface area; maximum volume capacities of 3510m 3 /g and 630m 3 /g were observed for toluene and acetaldehyde gas. The high removal efficiency for toluene (98%) versus acetaldehyde (30%) gas was attributed to π-π interactions between the pristine graphene surface and toluene molecules. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Electron and photon-beam induced reactions of adsorbed disilane: Low-temperature thin-film growth

    International Nuclear Information System (INIS)

    Bozso, F.; Avouris, Ph.

    1991-01-01

    Electrons and photons of sufficient energy can cause fragmentation and desorption of adsorbed molecules or fragments of them, by inducing electronic excitations to dissociative states. The surface species after such excitations are mostly of highly reactive radical character, which readily react with the substrate and with other molecular or radical species in the adsorbed layer. This paper discusses the adsorption, thermal and electron/photon-beam induced reactions of disilane, oxygen and ammonia on Si(111)-7x7, and the electron/photon-induced growth of silicon, silicon dioxide and silicon nitride films at 100K

  16. Study of composite adsorbent synthesis and characterization for the removal of Cs in the high-salt and high-radioactive wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jimin; Lee, Keun Young; Kim, Kwang Wook; Lee, Eil Hee; Chung, Dong Yong; Moon, Jei Kwon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Hyun, Jae Hyuk [Chungnam National University, Daejeon (Korea, Republic of)

    2017-03-15

    For the removal of cesium (Cs) from high radioactive/high salt-laden liquid waste, this study synthesized a highly efficient composite adsorbent (potassium cobalt ferrocyanide (PCFC)-loaded chabazite (CHA)) and evaluated its applicability. The composite adsorbent used CHA, which could accommodate Cs as well as other molecules, as a supporting material and was synthesized by immobilizing the PCFC in the pores of CHA through stepwise impregnation/precipitation with CoCl{sub 2} and K{sub 4}Fe (CN){sub 6} solutions. When CHA, with average particle size of more than 10 μm, is used in synthesizing the composite adsorbent, the PCFC particles were immobilized in a stable form. Also, the physical stability of the composite adsorbent was improved by optimizing the washing methodology to increase the purity of the composite adsorbent during the synthesis. The composite adsorbent obtained from the optimal synthesis showed a high adsorption rate of Cs in both fresh water (salt-free condition) and seawater (high-salt condition), and had a relatively high value of distribution coefficient (larger than 10{sup 4} mL·g{sup -1}) regardless of the salt concentration. Therefore, the composite adsorbent synthesized in this study is an optimized material considering both the high selectivity of PCFC on Cs and the physical stability of CHA. It is proved that this composite adsorbent can remove rapidly Cs contained in high radioactive/high salt-laden liquid waste with high efficiency.

  17. The adsorber loop concept for the contact between seawater and adsorber granulate

    International Nuclear Information System (INIS)

    Koske, P.H.; Ohlrogge, K.

    1984-01-01

    For the production of 1 kg uranium from seawater about 10 9 kg seawater - depending on the extraction efficiency - have to be processed in a production plant. Such high seawater flows have to be put through adsorber beds the area of which depends on the flow velocity of the water in the bed. For a typical polyamidoxim (PAO) adsorber granulate with a grain size distribution of 0.3 to 1.2 mm the velocity in a fluidized bed is limited to about 1 cm/s in order to prevent carry out of the adsorber material. The consequences of this rather low bed velocity are large and expensive bed areas for technical production plants. The present paper deals with the so-called ''adsorber loop concept'' in which the adsorber granulate is carried along with the seawater to be processed in a loop-like configuration and is separated again from the water before this is leaving the adsorption unit. This concept enables considerably higher seawater velocities thus reducing the bed area. Theoretical considerations are presented together with experimental results from field tests. (author)

  18. Surface enhanced Raman scattering of new acridine based fluorophore adsorbed on silver electrode

    Science.gov (United States)

    Solovyeva, Elena V.; Myund, Liubov A.; Denisova, Anna S.

    2015-10-01

    4,5-Bis(N,N-di(2-hydroxyethyl)iminomethyl)acridine (BHIA) is a new acridine based fluoroionophore and a highly-selective sensor for cadmium ion. The direct interaction of the aromatic nitrogen atom with a surface is impossible since there are bulky substituents in the 4,5-positions of the acridine fragment. Nevertheless BHIA molecule shows a reliable SERS spectrum while adsorbed on a silver electrode. The analysis of SERS spectra pH dependence reveals that BHIA species adsorbed on a surface can exist in both non-protonated and protonated forms. The adsorption of BHIA from alkaline solution is accompanied by carbonaceous species formation at the surface. The intensity of such "carbon bands" turned out to be related with the supporting electrolyte (KCl) concentration. Upon lowering the electrode potential the SERS spectra of BHIA do not undergo changes but the intensity of bands decreases. This indicates that the adsorption mechanism on the silver surface is realized via aromatic system of acridine fragment. In case of such an adsorption mechanism the chelate fragment of the BHIA molecule is capable of interaction with the solution components. Addition of Cd2+ ions to a system containing BHIA adsorbed on a silver electrode in equilibrium with the solution leads to the formation of BHIA/Cd2+ complex which desorption causes the loss of SERS signal.

  19. Molecular dynamics simulation of bubble nucleation in explosive boiling

    International Nuclear Information System (INIS)

    Zou Yu; Chinese Academy of Sciences, Beijing; Huai Xiulan; Liang Shiqiang

    2009-01-01

    Molecular dynamics (MD) simulation is carried out for the bubble nucleation of liquid nitrogen in explosive boiling. The heat is transferred into the simulation system by rescaling the velocity of the molecules. The results indicate that the initial equilibrium temperature of liquid and molecular cluster size affect the energy conversion in the process of bubble nucleation. The potential energy of the system violently varies at the beginning of the bubble nucleation, and then varies around a fixed value. At the end of bubble nucleation, the potential energy of the system slowly increases. In the bubble nucleation of explosive boiling, the lower the initial equilibrium temperature, the larger the size of the molecular cluster, and the more the heat transferred into the system of the simulation cell, causing the increase potential energy in a larger range. (authors)

  20. Excavation research with chemical explosives

    International Nuclear Information System (INIS)

    Vandenberg, William E.; Day, Walter C.

    1970-01-01

    The US Army Engineer Nuclear Cratering Group (NCG) is located at the Lawrence Radiation Laboratory in Livermore, California. NCG was established in 1962 and assigned responsibility for technical program direction of the Corps of Engineers Nuclear Excavation Research Program. The major part of the experimental program has been the execution of chemical explosive excavation experiments. In the past these experiments were preliminary to planned nuclear excavation experiments. The experience gained and technology developed in accomplishing these experiments has led to an expansion of NCG's research mission. The overall research and development mission now includes the development of chemical explosive excavation technology to enable the Corps of Engineers to more economically accomplish Civil Works Construction projects of intermediate size. The current and future chemical explosive excavation experiments conducted by NCG will be planned so as to provide data that can be used in the development of both chemical and nuclear excavation technology. In addition, whenever possible, the experiments will be conducted at the specific sites of authorized Civil Works Construction Projects and will be designed to provide a useful portion of the engineering structures planned in that project. Currently, the emphasis in the chemical explosive excavation program is on the development of design techniques for producing specific crater geometries in a variety of media. Preliminary results of two such experiments are described in this paper; Project Pre-GONDOLA III, Phase III, Reservoir Connection Experiment; and a Safety Calibration Series for Project TUGBOAT, a small boat harbor excavation experiment

  1. Excavation research with chemical explosives

    Energy Technology Data Exchange (ETDEWEB)

    Vandenberg, William E; Day, Walter C [U.S. Army Engineer Nuclear Cratering Group, Lawrence Radiation Laboratory, Livermore, CA (United States)

    1970-05-01

    The US Army Engineer Nuclear Cratering Group (NCG) is located at the Lawrence Radiation Laboratory in Livermore, California. NCG was established in 1962 and assigned responsibility for technical program direction of the Corps of Engineers Nuclear Excavation Research Program. The major part of the experimental program has been the execution of chemical explosive excavation experiments. In the past these experiments were preliminary to planned nuclear excavation experiments. The experience gained and technology developed in accomplishing these experiments has led to an expansion of NCG's research mission. The overall research and development mission now includes the development of chemical explosive excavation technology to enable the Corps of Engineers to more economically accomplish Civil Works Construction projects of intermediate size. The current and future chemical explosive excavation experiments conducted by NCG will be planned so as to provide data that can be used in the development of both chemical and nuclear excavation technology. In addition, whenever possible, the experiments will be conducted at the specific sites of authorized Civil Works Construction Projects and will be designed to provide a useful portion of the engineering structures planned in that project. Currently, the emphasis in the chemical explosive excavation program is on the development of design techniques for producing specific crater geometries in a variety of media. Preliminary results of two such experiments are described in this paper; Project Pre-GONDOLA III, Phase III, Reservoir Connection Experiment; and a Safety Calibration Series for Project TUGBOAT, a small boat harbor excavation experiment.

  2. Experimental approach to explosive nucleosynthesis

    International Nuclear Information System (INIS)

    Kubono, S.

    1991-07-01

    Recent development of experimental studies on explosive nucleosynthesis, especially the rapid proton process and the primordial nucleosynthesis were discussed with a stress on unstable nuclei. New development in the experimental methods for the nuclear astrophysics is also discussed which use unstable nuclear beams. (author)

  3. Lead-free primary explosives

    Science.gov (United States)

    Huynh, My Hang V.

    2010-06-22

    Lead-free primary explosives of the formula (cat).sub.Y[M.sup.II(T).sub.X(H.sub.2O).sub.6-X].sub.Z, where T is 5-nitrotetrazolate, and syntheses thereof are described. Substantially stoichiometric equivalents of the reactants lead to high yields of pure compositions thereby avoiding dangerous purification steps.

  4. Explosive micro-bubble actuator

    NARCIS (Netherlands)

    van den Broek, D.M.; Elwenspoek, Michael Curt

    2007-01-01

    Explosive evaporation occurs when a thin layer of liquid reaches a very high temperature in a very short time. At these temperatures homogeneous nucleation takes place. The nucleated bubbles almost instantly coalesce forming a vapour film followed by rapid growth due to the pressure impulse and

  5. Adsorption property of volatile molecules on ZnO nanowires ...

    Indian Academy of Sciences (India)

    2018-02-02

    Feb 2, 2018 ... 2Centre for Fire Explosive and Environment Safety, Defence Research and Development Organisation, Ministry ... present work, Zn site was chosen as an adsorption site for a ... Virtual NanoLab [18] software was utilized to construct the ..... In reality, there will be plenty of vapour molecules that interact over.

  6. The behavior limestone under explosive load

    Science.gov (United States)

    Orlov, M. Yu; Orlova, Yu N.; Bogomolov, G. N.

    2016-11-01

    Limestone behavior under explosive loading was investigated. The behavior of the limestone by the action of the three types of explosives, including granular, ammonite and emulsion explosives was studied in detail. The shape and diameter of the explosion craters were obtained. The observed fragments after the blast have been classified as large, medium and small fragments. Three full-scale experiments were carried out. The research results can be used as a qualitative test for the approbation of numerical methods.

  7. Hindered rotation of a copper phthalocyanine molecule on C60 : Experiments and molecular mechanics calculations

    NARCIS (Netherlands)

    Fendrich, M.; Wagner, Th.; Stöhr, M.; Möller, R.

    2006-01-01

    If copper phthalocyanine (CuPc) molecules are deposited on a Au(111) surface covered with a monolayer of C60, the molecules are found to adsorb individually onto the close-packed layer of C60. As the adsorption site of the CuPc is not symmetric with respect to the underlying C60 layer, the CuPc

  8. Molecule Matters van der Waals Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 7. Molecule Matters van der Waals Molecules - Rg•••HF Complexes are Debye Molecules! E Arunan. Feature Article Volume 15 Issue 7 July 2010 pp 667-674. Fulltext. Click here to view fulltext PDF. Permanent link:

  9. Removal of adsorbent particles od copper ions by Jet flotation

    International Nuclear Information System (INIS)

    Santander, M.; Tapia, P.; Pavez, O.; Valderrama, L.; Guzman, D.

    2009-01-01

    The present study shows the results obtained on the removal of copper ions from synthetic effluents by using the adsorbent particles flotation technique (APF) in a Jet flotation cell (Jameson type). In a typical experimental run, a mineral with high quartz content was used as adsorbent particles in the adsorption and flotation experiments, to determine optimal pH conditions, adsorbent particles concentration; flotation reagents dosage and air/effluent flow ratio for applying in the Jet cell to maximize the efficiency of copper ions adsorptions and the removal of particles adsorbents containing the absorbed copper ions. The results indicate the at pH>7 and at adsorbent particles concentration of 2 kg.m - 3, 99% of copper ions is adsorbed and, when the air/effluent flow ratio applied in the Jet cell is 0,2, 98% of absorbent particles containing the adsorbed copper ions is removed. (Author) 39 refs.

  10. Behavior of explosion debris clouds

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    In the normal course of events the behavior of debris clouds created by explosions will be of little concern to the atomic energy industry. However, two situations, one of them actual and one postulated, exist where the rise and spread of explosion clouds can affect site operations. The actual occurrence would be the detonation of nuclear weapons and the resultant release and transport of radioactive debris across the various atomic energy installations. Although the activity of the diffusing cloud is not of biological concern, it may still be sufficiently above background to play havoc with the normal readings of sensitive monitoring instruments. If it were not known that these anomalous readings resulted from explosion debris, considerable time and expense might be required for on-site testing and tracing. Fortunately it is usually possible, with the use of meteorological data and forecasts, to predict when individual sites are affected by nuclear weapon debris effects. The formation rise, and diffusion of weapon clouds will be discussed. The explosion of an atomic reactor is the postulated situation. It is common practice in reactor hazard analysis to assume a combination of circumstances which might result in a nuclear incident with a release of material to the atmosphere. It is not within the scope of this report to examine the manifold plausibilities that might lead to an explosion or the possible methods of release of gaseous and/or particulates from such an occurrence. However, if the information of a cloud is assumed and some idea of its energy content is obtainable, estimates of the cloud behavior in the atmosphere can be made

  11. Ideas for peaceful nuclear explosions in USSR

    International Nuclear Information System (INIS)

    1970-01-01

    Three papers prepared in USSR have been made available to the Agency for circulation among Member States. One examines radioactive contamination and methods for predicting it, of natural environments during underground explosions. Another deals with the mechanical effect of underground explosions. The third, which forms the basis of this article, reviews possible applications of peaceful nuclear explosions in the Soviet economy. (author)

  12. Gas explosion in domestic buildings. The vented gas explosion[sub][/sub

    Directory of Open Access Journals (Sweden)

    Tadeusz Chyży

    2014-08-01

    Full Text Available In this paper, the basic information, related to the so-called vented gas explosion, has been presented. The vented explosion it is an explosion, during which the destruction of the weakest elements of the structure occurs. Through the resulting holes (decompressing surfaces can flow both combustion products and non-burned gas mixture. In consequence, reduction of the maximum explosion pressure[i] P[sub]red [/sub][/i] may be significant. Often, a gas explosion occurs inside residential buildings. In this case, natural vents are window and door openings.[b]Keywords[/b]: gas, explosion, combustion, explosion vents

  13. Adsorption of different amphiphilic molecules onto polystyrene latices.

    Science.gov (United States)

    Jódar-Reyes, A B; Ortega-Vinuesa, J L; Martín-Rodríguez, A

    2005-02-15

    In order to know the influence of the surface characteristics and the chain properties on the adsorption of amphiphilic molecules onto polystyrene latex, a set of experiments to study the adsorption of ionic surfactants, nonionic surfactants and an amphiphilic synthetic peptide on different latex dispersions was performed. The adsorbed amount versus the equilibrium surfactant concentration was determined. The main adsorption mechanism was the hydrophobic attraction between the nonpolar tail of the molecule and the hydrophobic regions of the latex surface. This attraction overcame the electrostatic repulsion between chains and latex surface with identical charge sign. However, the electrostatic interactions chain-surface and chain-chain also played a role. General patterns for the adsorption of ionic chains on charged latex surfaces could be established. Regarding the shape, the isotherms presented different plateaus corresponding to electrostatic effects and conformational changes. The surfactant size also affects the adsorption results: the higher the hydrophilic moiety in the surfactant molecule the lower the adsorbed amount.

  14. Structural, electronic, and magnetic properties of pristine and oxygen-adsorbed graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Miwa, R.H.; Veiga, R.G.A. [Instituto de Fisica, Universidade Federal de Uberlandia, Caixa Postal 593, CEP 38400-902, Uberlandia, MG (Brazil); Srivastava, G.P., E-mail: gps@excc.ex.ac.uk [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom)

    2010-07-15

    The structural, electronic and magnetic properties of pristine and oxygen-adsorbed (3,0) zigzag and (6,1) armchair graphene nanoribbons have been investigated theoretically, by employing the ab initio pseudopotential method within the density functional scheme. The zigzag nanoribbon is more stable with antiferromagnetically coupled edges, and is semiconducting. The armchair nanoribbon does not show any preference for magnetic ordering and is semiconducting. The oxygen molecule in its triplet state is adsorbed most stably at the edge of the zigzag nanoribbon. The Stoner metallic behaviour of the ferromagnetic nanoribbons and the Slater insulating (ground state) behaviour of the antiferromagnetic nanoribbons remain intact upon oxygen adsorption. However, the local magnetic moment of the edge carbon atom of the ferromagnetic zigzag ribbon is drastically reduced, due to the formation of a spin-paired C-O bond.

  15. Aggregate formation of eosin-Y adsorbed on nanocrystalline TiO2 films

    Science.gov (United States)

    Yaguchi, Kaori; Furube, Akihiro; Katoh, Ryuzi

    2012-11-01

    We have studied the adsorption of eosin-Y on nanocrystalline TiO2 films with two different solvents namely acetonitrile (ACN) and ethanol (EtOH). A Langmuir-type adsorption isotherm was observed with ACN. In contrast, a Freundlich-type adsorption isotherm was observed with EtOH, suggesting that EtOH molecules co-adsorbed on TiO2 surface. Absorption spectra of the dye adsorbed films clearly show aggregate formation at high concentrations of dye in the solutions. From the analysis of the spectra, we conclude that head-to-tail type aggregates are observed with ACN, whereas various types of aggregates, including H-type and head-to-tail type aggregates, are observed with EtOH.

  16. Comparative study of normal and branched alkane monolayer films adsorbed on a solid surface. I. Structure

    DEFF Research Database (Denmark)

    Enevoldsen, Ann Dorrit; Hansen, Flemming Yssing; Diama, A.

    2007-01-01

    their backbone and squalane has, in addition, six methyl side groups. Upon adsorption, there are significant differences as well as similarities in the behavior of these molecular films. Both molecules form ordered structures at low temperatures; however, while the melting point of the two-dimensional (2D......The structure of a monolayer film of the branched alkane squalane (C30H62) adsorbed on graphite has been studied by neutron diffraction and molecular dynamics (MD) simulations and compared with a similar study of the n-alkane tetracosane (n-C24H52). Both molecules have 24 carbon atoms along...... temperature. The neutron diffraction data show that the translational order in the squalane monolayer is significantly less than in the tetracosane monolayer. The authors' MD simulations suggest that this is caused by a distortion of the squalane molecules upon adsorption on the graphite surface. When...

  17. Reduction of radioactivity produced by nuclear explosives

    Energy Technology Data Exchange (ETDEWEB)

    Lessler, Richard M [Lawrence Radiation Laboratory, University of California, Livermore, CA (United States)

    1970-05-15

    Four main sources contribute to the radioactivity produced by a nuclear explosive: 1. Fission products from the nuclear explosive, 2. Fusion products from the nuclear explosive, 3. Induced radioactivity in the nuclear explosive, 4. Induced radioactivity in the environment. This paper will summarize some of the work done at the Lawrence Radiation Laboratory at Livermore to reduce the radioactivity from these sources to levels acceptable for peaceful applications. Although it is theoretically possible to have no radioactivity produced by nuclear explosives, this goal has not been achieved.

  18. Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)n clusters

    Science.gov (United States)

    Curotto, E.; Mella, M.

    2018-03-01

    We have computed ground state energies and analyzed radial distributions for several gas phase and adsorbed D2(H2)n and HD(H2)n clusters. An external model potential designed to mimic ionic adsorption sites inside porous materials is used [M. Mella and E. Curotto, J. Phys. Chem. A 121, 5005 (2017)]. The isotopic substitution lowers the ground state energies by the expected amount based on the mass differences when these are compared with the energies of the pure clusters in the gas phase. A similar impact is found for adsorbed aggregates. The dissociation energy of D2 from the adsorbed clusters is always much higher than that of H2 from both pure and doped aggregates. Radial distributions of D2 and H2 are compared for both the gas phase and adsorbed species. For the gas phase clusters, two types of hydrogen-hydrogen interactions are considered: one based on the assumption that rotations and translations are adiabatically decoupled and the other based on nonisotropic four-dimensional potential. In the gas phase clusters of sufficiently large size, we find the heavier isotopomer more likely to be near the center of mass. However, there is a considerable overlap among the radial distributions of the two species. For the adsorbed clusters, we invariably find the heavy isotope located closer to the attractive interaction source than H2, and at the periphery of the aggregate, H2 molecules being substantially excluded from the interaction with the source. This finding rationalizes the dissociation energy results. For D2-(H2)n clusters with n ≥12 , such preference leads to the desorption of D2 from the aggregate, a phenomenon driven by the minimization of the total energy that can be obtained by reducing the confinement of (H2)12. The same happens for (H2)13, indicating that such an effect may be quite general and impact on the absorption of quantum species inside porous materials.

  19. LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

    International Nuclear Information System (INIS)

    Koestner, R.J.

    1982-08-01

    There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C 2 H 2 and C 2 H 4 adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals

  20. LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Koestner, R.J.

    1982-08-01

    There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C/sub 2/H/sub 2/ and C/sub 2/H/sub 4/ adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals.

  1. Development of adsorbents for recovery of uranium from seawater

    International Nuclear Information System (INIS)

    Egawa, Hiroaki; Furusaki, Shintaro.

    1987-01-01

    The largest subject for putting the extraction of uranium from seawater in practical use is the development of high performance adsorbents for uranium. In this paper, the way of thinking about the development of adsorbents for extracting uranium from seawater and the recent reports on this subject are described. Next, the research on the adsorbing capacity and adsorbing rate of the adsorbents developed so far is summarized, and the way of thinking about the evaluation of adsorbent performance which is the base of the design of a system for extracting uranium from seawater is explained, taking amidoxime type adsorbent as the example. For Japan where energy resources are scant, the uranium contained in seawater, which is estimated to be about 4.2 billion t, is the most luring important element. Uranium is contained in seawater is very low concentration of 3 ppb, and exists as anion complex salt. In 1960s, the Harwell Atomic Energy Research Establishment in UK found out that titanium oxide hydrate is the most promising as the adsorbent. Also a number of organic absorbents have been developed. In order to bring adsorbents in contact with seawater, pumping, ocean current and wave force are utilized. Adsorbents are in spherical, fiber and film forms, and held as fixed beds and fluidized beds. (Kako, I.) 48 refs

  2. Spot test kit for explosives detection

    Science.gov (United States)

    Pagoria, Philip F; Whipple, Richard E; Nunes, Peter J; Eckels, Joel Del; Reynolds, John G; Miles, Robin R; Chiarappa-Zucca, Marina L

    2014-03-11

    An explosion tester system comprising a body, a lateral flow membrane swab unit adapted to be removeably connected to the body, a first explosives detecting reagent, a first reagent holder and dispenser operatively connected to the body, the first reagent holder and dispenser containing the first explosives detecting reagent and positioned to deliver the first explosives detecting reagent to the lateral flow membrane swab unit when the lateral flow membrane swab unit is connected to the body, a second explosives detecting reagent, and a second reagent holder and dispenser operatively connected to the body, the second reagent holder and dispenser containing the second explosives detecting reagent and positioned to deliver the second explosives detecting reagent to the lateral flow membrane swab unit when the lateral flow membrane swab unit is connected to the body.

  3. Sensitivity to friction for primary explosives.

    Science.gov (United States)

    Matyáš, Robert; Šelešovský, Jakub; Musil, Tomáš

    2012-04-30

    The sensitivity to friction for a selection of primary explosives has been studied using a small BAM friction apparatus. The probit analysis was used for the construction of a sensitivity curve for each primary explosive tested. Two groups of primary explosives were chosen for measurement (a) the most commonly used industrially produced primary explosives (e.g. lead azide, tetrazene, dinol, lead styphnate) and (b) the most produced improvised primary explosives (e.g. triacetone triperoxide, hexamethylenetriperoxide diamine, mercury fulminate, acetylides of heavy metals). A knowledge of friction sensitivity is very important for determining manipulation safety for primary explosives. All the primary explosives tested were carefully characterised (synthesis procedure, shape and size of crystals). The sensitivity curves obtained represent a unique set of data, which cannot be found anywhere else in the available literature. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Problems in the theory of point explosions

    Science.gov (United States)

    Korobeinikov, V. P.

    The book is concerned with the development of the theory of point explosions, which is relevant to the study of such phenomena as the initiation of detonation, high-power explosions, electric discharges, cosmic explosions, laser blasts, and hypersonic aerodynamics. The discussion covers the principal equations and the statement of problems; linearized non-self-similar one-dimensional problems; spherical, cylindrical, and plane explosions with allowance for counterpressure under conditions of constant initial density; explosions in a combustible mixture of gases; and point explosions in inhomogeneous media with nonsymmetric energy release. Attention is also given to point explosions in an electrically conducting gas with allowance for the effect of the magnetic field and to the propagation of perturbations from solar flares.

  5. Seismic verification of underground explosions

    International Nuclear Information System (INIS)

    Glenn, L.A.

    1985-06-01

    The first nuclear test agreement, the test moratorium, was made in 1958 and lasted until the Soviet Union unilaterally resumed testing in the atmosphere in 1961. It was followed by the Limited Test Ban Treaty of 1963, which prohibited nuclear tests in the atmosphere, in outer space, and underwater. In 1974 the Threshold Test Ban Treaty (TTBT) was signed, limiting underground tests after March 1976 to a maximum yield of 250 kt. The TTBT was followed by a treaty limiting peaceful nuclear explosions and both the United States and the Soviet Union claim to be abiding by the 150-kt yield limit. A comprehensive test ban treaty (CTBT), prohibiting all testing of nuclear weapons, has also been discussed. However, a verifiable CTBT is a contradiction in terms. No monitoring technology can offer absolute assurance that very-low-yield illicit explosions have not occurred. The verification process, evasion opportunities, and cavity decoupling are discussed in this paper

  6. Theoretical Insight of Physical Adsorption for a Single Component Adsorbent + Adsorbate System: II. The Henry Region

    KAUST Repository

    Chakraborty, Anutosh; Saha, Bidyut Baran; Ng, Kim Choon; Koyama, Shigeru; Srinivasan, Kandadai

    2009-01-01

    evaluated and compared with experimental data. It is found that the adsorbents with higher specific surface areas tend to possess lower heat of adsorption (ΔH°) at the Henry regime. In this paper, we have established the definitive relation between Ai and ΔH

  7. Natural adsorbents of dyes from aqueous solution

    Science.gov (United States)

    Rahmani, Meryem; El Hajjaji, souad; Dahchour, Abdelmalek; El M'Rabet, Mohammadine

    2017-04-01

    Contamination of natural waters is a current environmental problem and lot of work has been done to find methods for its, prevention and remediation such as ionic exchange, adsorption on active carbon, filtration, electrolysis, biodegradation …etc. Adsorption is one of the most applied methods according to its effectiveness and easy management. Some adsorbents with good properties such as active alumina, zeolites, crop residues … etc, are suitable to substitute usual active carbon. This study aimed at the removal of dyes using oil shale as natural support, and its optimization by factorial experiment. Three factors were considered namly:pollutant concentration, pH and weight of the adsorbent. Tests have been performed with cationic and anionic dyes. Experimental results show that pseudo-first-order kinetic model provided the best fit to the experimental data for the adsorption by the oil shale. Langmuir, Freundlich and Temkin isotherm models were tested to fit experimental data, the adsorption equilibrium was well described by Freundlich isotherm for methylorange and Temkin for methyl blue. Analysis were completed by oil shale characterization educing XRD, IR, XRF techniques, and cationic exchange capacity.

  8. Optimizing heterosurface adsorbent synthesis for liquid chromatography

    Science.gov (United States)

    Bogoslovskii, S. Yu.; Serdan, A. A.

    2016-03-01

    The structural and geometric parameters of a silica matrix (SM) for the synthesis of heterosurface adsorbents (HAs) are optimized. Modification is performed by shielding the external surfaces of alkyl-modified silica (AS) using human serum albumin and its subsequent crosslinking. The structural and geometric characteristics of the SM, AS, and HA are measured via low-temperature nitrogen adsorption. It is found that the structural characteristics of AS pores with diameters D 9 nm reduces significantly due to adsorption of albumin. It is concluded that silica gel with a maximum pore size distribution close to 5 nm and a minimal proportion of pores with D > 9 nm is optimal for HA synthesis; this allows us to achieve the greatest similarity between the chromatographic retention parameters for HA and AS. The suitability of the synthesized adsorbents for analyzing drugs in biological fluids through direct sample injection is confirmed by chromatography. It was found that the percentage of the protein fraction detected at the outlet of the chromatographic column is 98%.

  9. Bipolar explosion models for hypernovae

    International Nuclear Information System (INIS)

    Maeda, Keiichi; Nomoto, Ken'ichi

    2003-01-01

    Bipolar explosion models for hypernovae (very energetic supernovae) are presented. These models provide a favorable situation to explain some unexpected features in observations of hypernovae, e.g., high velocity matter dominated by Fe and low velocity matter dominated by O. The overall abundance of these models gives a good fit, at least qualitatively, to abundances in extremely metal-poor stars. We suggest hypernovae be driven by bipolar jets and contribute significantly to the early Galactic chemical evolution

  10. Mass extinctions and supernova explosions

    OpenAIRE

    Korschinek, Gunther

    2016-01-01

    A nearby supernova (SN) explosion could have negatively influenced life on Earth, maybe even been responsible for mass extinctions. Mass extinction poses a significant extinction of numerous species on Earth, as recorded in the paleontologic, paleoclimatic, and geological record of our planet. Depending on the distance between the Sun and the SN, different types of threats have to be considered, such as ozone depletion on Earth, causing increased exposure to the Sun's ultraviolet radiation, o...

  11. Performance properties of commercial explosives

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J.N.; Mader, C.L.; Goldstein, S.

    1983-01-01

    The aquarium test is a proven means of obtaining nonidial performance property data for commercial blasting agents. Optical data on the detonation velocity, shock wave in water, and expansion rate of the pipe enclosing the detonation products (in combination with the equilibrium thermodynamic chemistry code BKW) give the C-J state and degree of chemical reaction at the detonation front, as well as information on additional chemical reaction that occurs as the detonation products expand. Specific explosive systems that are studied are ammonium nitrate-fuel oil mixture (ANFO), aluminized ANFO, flaked trinitrotoluene (TNT), and several other commercial products in 10-cm diam and 20-cm-diam pipes of Plexiglas and clay. Experimental shock-pressure data are obtained with lithium niobate transducers placed in the water surrounding the explosive charge. These data show that the addition of approx.100-..mu..m aluminum particles to ANFO significantly increases the initial peak shock pressure delivered to the surrounding medium. Peak shock pressures in the water, calculated from the shock-wave orientation, are also useful in comparing performance properties of various commercial explosives. 20 references, 17 figures, 2 tables.

  12. Nuclear Explosions 1945-1998

    Energy Technology Data Exchange (ETDEWEB)

    Bergkvist, Nils-Olov; Ferm, Ragnhild

    2000-07-01

    The main part of this report is a list of nuclear explosions conducted by the United States, the Soviet Union, the United Kingdom, France, China, India and Pakistan in 1945-98. The list includes all known nuclear test explosions and is compiled from a variety of sources including officially published information from the USA, Russia and France. The details given for each explosion (date, origin time, location, yield, type, etc.) are often compiled from more than one source because the individual sources do not give complete information. The report includes a short background to nuclear testing and provides brief information on the Comprehensive Nuclear-Test-Ban Treaty and the verification regime now being established to verify compliance with the treaty. It also summarizes nuclear testing country by country. The list should be used with some caution because its compilation from a variety of sources means that some of the data could be incorrect. This report is the result of cooperation between the Defence Research Establishment (FOA) and the Stockholm International Peace Research Institute (SIPRI)

  13. A model of vulcanian explosions

    International Nuclear Information System (INIS)

    Woods, A.W.

    1995-01-01

    We present a model of the initial stages of the explosive eruption of magma from a volcanic conduit as occurs in Vulcanian style eruptions. We assume there is a volatile rich (1-10 wt%) mixture of magma, vaporised groundwater and exsolved volatiles, trapped at high pressure (1-100 atm) just below a plug in a volcanic conduit. If the plug disrupts, there is an explosive eruption in which a rarefaction wave propagates into the conduit allowing the volatile rich mixture to expand and discharge into the atmosphere ahead of the vent. Typically, the explosions are so rapid that coarse grained ejecta (>0.5 mm) do not remain in thermal equilibrium with the gas, and this leads to significantly lower velocities and temperatures than predicted by an equilibrium model. Material may erupt from the vent at speeds of 100-400 m s -1 with an initial mass flux of order 10 7 -10 9 kg s -1 , consistent with video observations of eruptions and measurements of the ballistic dispersal of large clasts. (orig.)

  14. Surface-enhanced Raman spectrum of Gly-Gly adsorbed on the silver colloidal surface

    Science.gov (United States)

    Xiaojuan, Yuan; Huaimin, Gu; Jiwei, Wu

    2010-08-01

    Raman and SERS spectra of homodipeptide Gly-Gly and Gly were recorded and compared in this paper, and band assignment for the functional groups contained in these molecules was analyzed in detail. Time-dependent and pH-dependent SERS spectra of Gly-Gly molecule adsorbed on nano-colloidal silver surface were also studied. The time-dependent SERS spectra of Gly-Gly are characterized by the increase in intensity of bands primarily representing the vibrational signatures emanating from the amino and amide moiety of Gly-Gly molecule. It is found that the adsorption style of Gly-Gly on the silver colloid changes as time goes on; at 5 min after adding the sample to the silver colloid, Gly-Gly adsorbs on silver surface firstly through the carboxylate, amino and amide groups, and then the carboxylate group is far away from the silver surface at 10 min to 3 days. The SERS variation of Gly-Gly with the change of pH suggests that the adsorption style is pH-dependent, the different adsorption behavior of the Gly-Gly occurs on silver surface at different pH values.

  15. New type of amidoxime-group-containing adsorbent for the recovery of uranium from seawater. III. Recycle use of adsorbent

    International Nuclear Information System (INIS)

    Omichi, H.; Katakai, A.; Sugo, T.; Okamoto, J.

    1986-01-01

    An amidoxime-group adsorbent for recovering uranium from seawater was made by radiation-induced graft polymerization of acrylonitrile onto polymeric fiber, followed by amidoximation. Uranium adsorption of the adsorbent contacted with seawater in a column increased with the increase in flow rate, then leveled off. The relationship between uranium adsorption in a batch process and the ratio of the amount of seawater to that of adsorbent was found to be effective in evaluating adsorbent contacted with any amount of seawater. The conditioning of the adsorbent with an alkaline solution at higher temperature (∼80 0 C) after the acid desorption recovered the adsorption ability to the original level. This made it possible to apply the adsorbent to recycle use. On the other hand, the adsorbent conditioned at room temperature or that without conditioning lost adsorption ability during recycle use. The increase in water uptake was observed as one of the physical changes produced during recycle use of the alkaline-conditioned adsorbent, while the decrease in water uptake was observed with the unconditioned adsorbent. The IR spectra of the adsorbent showed a probability of reactions of amidoxime groups with acid and alkaline solutions, which can explain the change in uranium adsorption during the adsorption-desorption cycle

  16. Organized single-molecule magnets: direct observation of new Mn12 derivatives on gold

    International Nuclear Information System (INIS)

    Cornia, A.; Fabretti, A.C.; Pacchioni, M.; Zobbi, L.; Bonacchi, D.; Caneschi, A.; Gatteschi, D.; Biagi, R.; Del Pennino, U.; De Renzi, V.; Gurevich, L.; Zant, H.S.J. van der

    2004-01-01

    Gold adsorbates of the dodecamanganese(III,IV) single-molecule magnet (SMM) [Mn 12 O 12 (L) 16 (H 2 O) 4 ] where L=16-(acetylthio)hexadecanoate have been prepared and investigated by X-ray photoelectron spectroscopy and scanning tunneling microscopy (STM). The successful imaging of Mn 12 molecules by STM represents a first step toward the magnetic addressing of individual SMMs and the development of molecule-based devices for magnetic information storage

  17. On determination of the dynamics of hydrocarbon molecules on catalyst's surfaces by means of neutron scattering

    International Nuclear Information System (INIS)

    Stockmeyer, R.

    1976-01-01

    The intensity distribution of slow neutrons scattered by adsorbed hydrocarbon molecules contains information on the dynamics of the molecules. In this paper the scattering law for incoherently scattering molecules is derived taking into account the very different mobility perpendicular and parallel to the surface. In contrast to the well known scattering law of threedimensionally diffusing particles the scattering law for twodimensional diffusion diverges logarithmically at zero energy transfer. Conclusions relevant to the interpretation of neutron scattering data are discussed. (orig.) [de

  18. Volumetric interpretation of protein adsorption: interfacial packing of protein adsorbed to hydrophobic surfaces from surface-saturating solution concentrations.

    Science.gov (United States)

    Kao, Ping; Parhi, Purnendu; Krishnan, Anandi; Noh, Hyeran; Haider, Waseem; Tadigadapa, Srinivas; Allara, David L; Vogler, Erwin A

    2011-02-01

    The maximum capacity of a hydrophobic adsorbent is interpreted in terms of square or hexagonal (cubic and face-centered-cubic, FCC) interfacial packing models of adsorbed blood proteins in a way that accommodates experimental measurements by the solution-depletion method and quartz-crystal-microbalance (QCM) for the human proteins serum albumin (HSA, 66 kDa), immunoglobulin G (IgG, 160 kDa), fibrinogen (Fib, 341 kDa), and immunoglobulin M (IgM, 1000 kDa). A simple analysis shows that adsorbent capacity is capped by a fixed mass/volume (e.g. mg/mL) surface-region (interphase) concentration and not molar concentration. Nearly analytical agreement between the packing models and experiment suggests that, at surface saturation, above-mentioned proteins assemble within the interphase in a manner that approximates a well-ordered array. HSA saturates a hydrophobic adsorbent with the equivalent of a single square or hexagonally-packed layer of hydrated molecules whereas the larger proteins occupy two-or-more layers, depending on the specific protein under consideration and analytical method used to measure adsorbate mass (solution depletion or QCM). Square or hexagonal (cubic and FCC) packing models cannot be clearly distinguished by comparison to experimental data. QCM measurement of adsorbent capacity is shown to be significantly different than that measured by solution depletion for similar hydrophobic adsorbents. The underlying reason is traced to the fact that QCM measures contribution of both core protein, water of hydration, and interphase water whereas solution depletion measures only the contribution of core protein. It is further shown that thickness of the interphase directly measured by QCM systematically exceeds that inferred from solution-depletion measurements, presumably because the static model used to interpret solution depletion does not accurately capture the complexities of the viscoelastic interfacial environment probed by QCM. Copyright © 2010

  19. Adsorbent Alkali Conditioning for Uranium Adsorption from Seawater. Adsorbent Performance and Technology Cost Evaluation

    International Nuclear Information System (INIS)

    Tsouris, Costas; Mayes, Richard T.; Janke, Christopher James; Dai, Sheng; Das, S.; Liao, W.P.; Kuo, Li-Jung; Wood, Jordana; Gill, Gary; Byers, Maggie Flicker; Schneider, Eric

    2015-01-01

    The Fuel Resources program of the Fuel Cycle Research and Development program of the Office of Nuclear Energy (NE) is focused on identifying and implementing actions to assure that nuclear fuel resources are available in the United States. An immense source of uranium is seawater, which contains an estimated amount of 4.5 billion tonnes of dissolved uranium. This unconventional resource can provide a price cap and ensure centuries of uranium supply for future nuclear energy production. NE initiated a multidisciplinary program with participants from national laboratories, universities, and research institutes to enable technical breakthroughs related to uranium recovery from seawater. The goal is to develop advanced adsorbents to reduce the seawater uranium recovery technology cost and uncertainties. Under this program, Oak Ridge National Laboratory (ORNL) has developed a new amidoxime-based adsorbent of high surface area, which tripled the uranium capacity of leading Japanese adsorbents. Parallel efforts have been focused on the optimization of the physicochemical and operating parameters used during the preparation of the adsorbent for deployment. A set of parameters that need to be optimized are related to the conditioning of the adsorbent with alkali solution, which is necessary prior to adsorbent deployment. Previous work indicated that alkali-conditioning parameters significantly affect the adsorbent performance. Initiated in 2014, this study had as a goal to determine optimal parameters such as base type and concentration, temperature, and duration of conditioning that maximize the uranium adsorption performance of amidoxime functionalized adsorbent, while keeping the cost of uranium production low. After base-treatment at various conditions, samples of adsorbent developed at ORNL were tested in this study with batch simulated seawater solution of 8-ppm uranium concentration, batch seawater spiked with uranium nitrate at 75-100 ppb uranium, and continuous

  20. Adsorbent Alkali Conditioning for Uranium Adsorption from Seawater. Adsorbent Performance and Technology Cost Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Tsouris, Costas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mayes, Richard T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Janke, Christopher James [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dai, Sheng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Das, S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Liao, W. -P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wood, Jordana [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gill, Gary [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Byers, Maggie Flicker [Univ. of Texas, Austin, TX (United States); Schneider, Eric [Univ. of Texas, Austin, TX (United States)

    2015-09-30

    The Fuel Resources program of the Fuel Cycle Research and Development program of the Office of Nuclear Energy (NE) is focused on identifying and implementing actions to assure that nuclear fuel resources are available in the United States. An immense source of uranium is seawater, which contains an estimated amount of 4.5 billion tonnes of dissolved uranium. This unconventional resource can provide a price cap and ensure centuries of uranium supply for future nuclear energy production. NE initiated a multidisciplinary program with participants from national laboratories, universities, and research institutes to enable technical breakthroughs related to uranium recovery from seawater. The goal is to develop advanced adsorbents to reduce the seawater uranium recovery technology cost and uncertainties. Under this program, Oak Ridge National Laboratory (ORNL) has developed a new amidoxime-based adsorbent of high surface area, which tripled the uranium capacity of leading Japanese adsorbents. Parallel efforts have been focused on the optimization of the physicochemical and operating parameters used during the preparation of the adsorbent for deployment. A set of parameters that need to be optimized are related to the conditioning of the adsorbent with alkali solution, which is necessary prior to adsorbent deployment. Previous work indicated that alkali-conditioning parameters significantly affect the adsorbent performance. Initiated in 2014, this study had as a goal to determine optimal parameters such as base type and concentration, temperature, and duration of conditioning that maximize the uranium adsorption performance of amidoxime functionalized adsorbent, while keeping the cost of uranium production low. After base-treatment at various conditions, samples of adsorbent developed at ORNL were tested in this study with batch simulated seawater solution of 8-ppm uranium concentration, batch seawater spiked with uranium nitrate at 75-100 ppb uranium, and continuous

  1. Creation of the technical adsorbent from local raw materials

    International Nuclear Information System (INIS)

    Isobaev, M.D.; Davlatnazarova, M.D.; Abdullaev, T.H.

    2016-01-01

    The results showed the possibility of obtaining effective adsorbents of walnut shell and the sunflower for environmental purposes, in particular for the purification of polluted waters from heavy metals. It has been shown, that 1 g of walnut shell adsorbent can adsorb on its surface ions of lead in amount of 47% by weight. The dependence of the adsorption activity of the semi-coke received from walnut shell from particle size and concentration of the solution. (author)

  2. WGS-Adsorbent Reaction Studies at Laboratory Scale

    International Nuclear Information System (INIS)

    Marano, M.; Torreiro, Y.

    2014-01-01

    This document reports the most significant results obtained during the experimental work performed under task WGS adsorbent experimental studies within CAPHIGAS project (National Research Plan 2008-2011, ref: ENE2009-08002). The behavior of the binary adsorbent-catalyst system which will be used in the hybrid system is described in this document. Main results reported here were used during the design and development of the hybrid system adsorbent catalyst- membrane proposed in the CAPHIGAS project. The influence of main operating parameters and the optimized volume ratio adsorbent-catalyst are also presented in this report. (Author)

  3. Neutralization of Rubidium Adsorbate Electric Fields by Electron Attachment

    Energy Technology Data Exchange (ETDEWEB)

    Sedlacek, J. A. [Univ. of Oklahoma, Norman, OK (United States); Kim, E. [Univ. of Nevada, Las Vegas, NV (United States); Rittenhouse, S. T. [Western Washington Univ., Bellingham, WA (United States); US Naval Academy, Annapolis, MD (United States); Weck, Philippe F [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sadeghpour, H. R. [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States); Shaffer, J. P. [Univ. of Oklahoma, Norman, OK (United States)

    2015-10-01

    We investigate the (0001) surface of single crystal quartz with a submonolayer of Rb adsorbates. Using Rydberg atom electromagnetically induced transparency, we investigate the electric elds resulting from Rb adsorbed on the quartz surface, and measure the activation energy of the Rb adsorbates. We show that the Rb induces a negative electron affnity (NEA) on the quartz surface. The NEA surface allows for low energy electrons to bind to the surface and cancel the electric eld from the Rb adsorbates. Our results have implications for integrating Rydberg atoms into hybrid quantum systems and the fundamental study of atom-surface interactions, as well as applications for electrons bound to a 2D surface.

  4. Mobility of adsorbed Cry1Aa insecticidal toxin from Bacillus thuringiensis (Bt) on montmorillonite measured by fluorescence recovery after photobleaching (FRAP)

    Science.gov (United States)

    Helassa, Nordine; Daudin, Gabrielle; Noinville, Sylvie; Janot, Jean-Marc; Déjardin, Philippe; Staunton, Siobhán; Quiquampoix, Hervé

    2010-06-01

    The insecticidal toxins produced by genetically modified Bt crops are introduced into soil through root exudates and tissue decomposition and adsorb readily on soil components, especially on clays. This immobilisation and the consequent concentration of the toxins in "hot spots" could increase the exposure of soil organisms. Whereas the effects on non-target organisms are well documented, few studies consider the migration of the toxin in soil. In this study, the residual mobility of Bt Cry1Aa insecticidal toxin adsorbed on montmorillonite was assessed using fluorescence recovery after photobleaching (FRAP). This technique, which is usually used to study dynamics of cytoplasmic and membrane molecules in live cells, was applied for the first time to a protein adsorbed on a finely divided swelling clay mineral, montmorillonite. No mobility of adsorbed toxin was observed at any pH and at different degrees of surface saturation.

  5. Scanning tunneling microscopy I general principles and applications to clean and adsorbate-covered surfaces

    CERN Document Server

    Wiesendanger, Roland

    1992-01-01

    Scanning Tunneling Microscopy I provides a unique introduction to a novel and fascinating technique that produces beautiful images of nature on an atomic scale. It is the first of three volumes that together offer a comprehensive treatment of scanning tunneling microscopy, its diverse applications, and its theoretical treatment. In this volume the reader will find a detailed description of the technique itself and of its applications to metals, semiconductors, layered materials, adsorbed molecules and superconductors. In addition to the many representative results reviewed, extensive references to original work will help to make accessible the vast body of knowledge already accumulated in this field.

  6. Raman spectroscopy of adsorbed water in clays: first attempt at band assignment

    Energy Technology Data Exchange (ETDEWEB)

    Ligny, Dominique de; Guillaud, Emmanuel [Institut Lumiere Matiere, CNRS, Universite Lyon 1, 12 rue Ada Byron, 69622 Villeurbanne (France); Gailhanou, Helene; Blanc, Philippe [BRGM, Service D3E, 3 avenue Claude Guillemin, 45000 Orleans (France)

    2013-07-01

    Raman spectroscopy can be a useful tool to determine water content within clays, or even in highly saturated solutions. The following assignment is proposed for the OH region of SAz-2: the two large bands at 3260 and 3475 cm{sup -1} are assigned to water in pores, the first one to water molecules coordinated to the interlayer cations, and the second one to structural Al-OH groups The band at 3600 cm{sup -1} is therefore more likely related to adsorbed water on the clay surface. Simple intensity ratios of these different bands give good estimates of water content. (authors)

  7. Theory and Monte-Carlo simulation of adsorbates on corrugated surfaces

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, P.-A.

    1993-01-01

    -phase between the commensurate and incommensurate phase stabilized by defects. Special attention has been given to the study of the epitaxial rotation angles of the different phases. Available experimental data is in agreement with the simulations and with a general theory for the epitaxial rotation which takes......Phase transitions in systems of adsorbed molecules on corrugated surfaces are studied by means of Monte Carlo simulation. Particularly, we have studied the phase diagram of D2 on graphite as a function of coverage and temperature. We have demonstrated the existence of an intermediate gamma...

  8. Theoretical Insight of Physical Adsorption for a Single-Component Adsorbent + Adsorbate System: I. Thermodynamic Property Surfaces

    KAUST Repository

    Chakraborty, Anutosh

    2009-02-17

    Thermodynamic property surfaces for a single-component adsorbent + adsorbate system are derived and developed from the viewpoint of classical thermodynamics, thermodynamic requirements of chemical equilibrium, Gibbs law, and Maxwell relations. They enable us to compute the entropy and enthalpy of the adsorbed phase, the isosteric heat of adsorption, specific heat capacity, and the adsorbed phase volume thoroughly. These equations are very simple and easy to handle for calculating the energetic performances of any adsorption system. We have shown here that the derived thermodynamic formulations fill up the information gap with respect to the state of adsorbed phase to dispel the confusion as to what is the actual state of the adsorbed phase. We have also discussed and established the temperature-entropy diagrams of (i) CaCl 2-in-silica gel + water system for cooling applications, and (ii) activated carbon (Maxsorb III) + methane system for gas storage. © Copyright 2009 American Chemical Society.

  9. Influence of adsorbed hydrogen molecules on the hydrogen permeation and recycling

    International Nuclear Information System (INIS)

    Banno, T.

    1987-01-01

    Hydrogen permeation through a thin iron membrane has been measured using a molecular hydrogen gas and/or a weakly ionized rf-discharge as particle sources. Transient and steady state values of the permeation flux φ p were obtained in the regime where the surface penetration of H and the recombinative release of H 2 are rate-determining. φ p is then proportional to the flux density ψ of the particles which impinge on the membrane upstream. The proportionality factors depend on the nature (atomic or molecular) of the incident particles, on temperature (in particular for a molecular driving gas) and on the ratio of the surface recombinative release rate constants (2σk r ) u and (2σk r ) d up- and downstream, respectively. (orig.)

  10. Spectroscopy of surface adsorbed molecules (scanning tunneling microscopy). Progress report, May 1, 1985-April 30, 1986

    International Nuclear Information System (INIS)

    Coleman, R.V.

    1986-01-01

    A review of the scanning tunneling microscopy program is given. This article contains a description of the design and fabrication of the microscope in addition to description of studies which use the microscope: studies of charge-density waves and studies of tunnel junctions doped with metals and semiconductors. 48 refs., 26 figs

  11. Functionalized molecules studied by STM: motion, switching and reactivity

    International Nuclear Information System (INIS)

    Grill, Leonhard

    2008-01-01

    Functionalized molecules represent the central issue of molecular nanotechnology. Scanning tunnelling microscopy (STM) is a powerful method to investigate such molecules, because it allows us to image them with sub-molecular resolution when adsorbed on a surface and can be used at the same time as a tool to manipulate single molecules in a controlled way. Such studies permit deep insight into the conformational, mechanical and electronic structure and thus functionalities of the molecules. In this review, recent experiments on specially designed molecules, acting as model systems for molecular nanotechnology, are reviewed. The presented studies focus on key functionalities: lateral rolling and hopping motion on a supporting surface, the switching behaviour of azobenzene derivatives by using the STM tip and the controlled reactivity of molecular side groups, which enable the formation of covalently bound molecular nanoarchitectures. (topical review)

  12. Ion exchange/adsorbent pilot plant

    International Nuclear Information System (INIS)

    Anon.

    1982-01-01

    A decontamination of greater than 99% of the actinides and fission products contained in radioactive waste water can be obtained using ion exchange resins. A system for achieving this result is described in this paper. This ion exchange pilot-plant design is the culmination of five years of study of the decontamination of radioactive waste streams by ion exchange resins and other adsorbents at Mound. In order to maintain maximum flexibility of treatments, this pilot-plant design is a conceptual design with specific flows, resins, and column specifications, but with many optional features and no rigid equipment specifications. This flexibility allows the system to be amenable to almost any radioactive waste stream. Very specific designs can be constructed from this conceptual design for the treatment of any specific waste stream. Operating and capital costs are also discussed. 1 figure, 5 tables

  13. Canyon solvent cleaning with solid adsorbents

    International Nuclear Information System (INIS)

    Reif, D.J.

    1987-01-01

    The HM Process at the Savannah River Plant (SRP) uses 7.5% tributyl phosphate in n-paraffin as an extraction solvent. During use, the solvent is altered due to hydrolysis and radiolysis, forming materials that influence product losses, product decontamination, and separation efficiencies. Laboratory studies to improve online solvent cleaning have shown that carbonate washing, although removing residual solvent activity, does not remove binding ligands that hold fission products in the solvent. Treatment of solvent with a solid adsorbent removes binding ligands and significantly improves recycle solvent performance. Both laboratory work defining a full-scale adsorption process and the use of the process to clean HM Process first cycle solvent are presented

  14. Arsenic Remediation by Synthetic and Natural Adsorbents

    Directory of Open Access Journals (Sweden)

    Muhammad Saqaf Jagirani

    2017-06-01

    Full Text Available The contagion of toxic metals in water is a serious environmental and health concern and threatening problem worldwide. Particularly arsenic contamination in ground water has became great dilemma in the earlier decades. With advent in research for arsenic remediation, standard of drinking water is improving and now reduced to few parts per million (ppm level of arsenic in drinking water sources. However, due to continuous enhancement in environmental pollution, remediation techniques are still needed to achieve the drinking water quality standard. Development of novel and economically feasible removal techniques or materials for selective separation of this toxic specie has been the main focus of research. Several arsenic removal techniques, including membrane separation, coagulation, precipitation, anion exchange have been developed. The aim of this article is to review briefly arsenic chemistry and previous and current available technologies that have been reported various low-cost adsorbents for arsenic removal.

  15. Applications of core level spectroscopy to adsorbates

    International Nuclear Information System (INIS)

    Nilsson, Anders

    2002-01-01

    In the following review different applications of core-level spectroscopy to atomic and molecular adsorbates will be shown. Core-holes are created through core-level ionization and X-ray absorption processes and the core-hole decays by radiant and non-radiant processes. This forms the basis for X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, Auger electron spectroscopy and X-ray emission spectroscopy. We will demonstrate how we can use the different methods to obtain information about the chemical state, local geometric structure, nature of chemical bonding and dynamics in electron transfer processes. The adsorption of N 2 and CO on Ni(100) will be used as prototype systems for chemisorption while N 2 on graphite and Ar on Pt for physisorption

  16. In vitro hydroxyapatite adsorbed salivary proteins

    International Nuclear Information System (INIS)

    Vitorino, Rui; Lobo, Maria Joao C.; Duarte, Jose; Ferrer-Correia, Antonio J.; Tomer, Kenneth B.; Dubin, Joshua R.; Domingues, Pedro M.; Amado, Francisco M.L.

    2004-01-01

    In spite of the present knowledge about saliva components and their respective functions, the mechanism(s) of pellicle and dental plaque formation have hitherto remained obscure. This has prompted recent efforts on in vitro studies using hydroxyapatite (HA) as an enamel model. In the present study salivary proteins adsorbed to HA were extracted with TFA and EDTA and resolved by 2D electrophoresis over a pH range between 3 and 10, digested, and then analysed by MALDI-TOF/TOF mass spectrometry and tandem mass spectrometry. Nineteen different proteins were identified using automated MS and MS/MS data acquisition. Among them, cystatins, amylase, carbonic anhydrase, and calgranulin B, were identified

  17. Steam explosion pretreatment of softwood: the effect of the explosive decompression on enzymatic digestibility.

    Science.gov (United States)

    Pielhop, Thomas; Amgarten, Janick; von Rohr, Philipp Rudolf; Studer, Michael H

    2016-01-01

    Steam explosion pretreatment has been examined in many studies for enhancing the enzymatic digestibility of lignocellulosic biomass and is currently the most common pretreatment method in commercial biorefineries. The information available about the effect of the explosive decompression on the biochemical conversion is, however, very limited, and no studies prove that the latter is actually enhanced by the explosion. Hence, it is of great value to discern between the effect of the explosion on the one hand and the steaming on the other hand, to identify their particular influences on enzymatic digestibility. The effect of the explosive decompression in the steam explosion pretreatment of spruce wood chips on their enzymatic cellulose digestibility was studied systematically. The explosion had a high influence on digestibility, improving it by up to 90 % compared to a steam pretreatment without explosion. Two factors were identified to be essentially responsible for the effect of the explosion on enzymatic digestibility: pretreatment severity and pressure difference of the explosion. A higher pretreatment severity can soften up and weaken the lignocellulose structure more, so that the explosion can better break up the biomass and decrease its particle size, which enhances its digestibility. In particular, increasing the pressure difference of the explosion leads to more defibration, a smaller particle size and a better digestibility. Though differences were found in the micro- and nanostructure of exploded and non-exploded biomass, the only influence of the explosion on digestibility was found to be the macroscopic particle size reduction. Steam explosion treatments with a high severity and a high pressure difference of the explosion lead to a comparatively high cellulose digestibility of the-typically very recalcitrant-softwood biomass. This is the first study to show that explosion can enhance the enzymatic digestibility of lignocellulosic biomass. If the

  18. Biodegradation of bacterial polysaccharides adsorbed on montmorillonite

    International Nuclear Information System (INIS)

    Guckert, A.; Tok, H.H.; Jacquin, F.

    1977-01-01

    In this research, by means of a model, a study was made of the biodegradation of microbial organic compounds adsorbed on clays, with a parallel experiment on Fontainebleau sand serving as the control. During incubation the three classes of organic matter ( 14 C-labelled glucose, 14 C-labelled polysaccharides and 14 C-labelled microbial cells) mineralize more actively in the presence of sand than in the presence of clay, since the latter provides protection against biodegradation. Mineralization of the adsorbed organic compounds, however, is marked by clear-cut differences after three weeks - glucose (55%)>polysaccharides (43%)>microbial organisms (7.3%). After incubation, chemical extraction of the organo-mineral complexes by alkaline solvents shows only water-soluble and alkali-soluble products in the case of sand; conversely, in that of montmorillonite the bulk of the 14 C was found in the non-extractable fraction or humin (18.1% of the initial 14 C for glucose, 27.3% for the polysaccharides, and 67.6% for the microbial organisms). A second incubation carried out after a phase in which there was drying and remoistening of the organo-mineral complexes, brings to light the important part played by climatic alternations during the biodegradation process. A new mineralization phase is observed, affecting more the bacterial organisms (14.1%) than the polysaccharides (6.3%), with the glucose-base complexes occupying an intermediate position (11.2%). The chemical fractioning of the organo-mineral complexes following re-incubation shows the stability of 14 C in humin very clearly, especially in the case of polysaccharides, where the mineralization phase relates primarily to the products extractable with alkalis. (author)

  19. Computer code to predict the heat of explosion of high energy materials

    International Nuclear Information System (INIS)

    Muthurajan, H.; Sivabalan, R.; Pon Saravanan, N.; Talawar, M.B.

    2009-01-01

    The computational approach to the thermochemical changes involved in the process of explosion of a high energy materials (HEMs) vis-a-vis its molecular structure aids a HEMs chemist/engineers to predict the important thermodynamic parameters such as heat of explosion of the HEMs. Such a computer-aided design will be useful in predicting the performance of a given HEM as well as in conceiving futuristic high energy molecules that have significant potential in the field of explosives and propellants. The software code viz., LOTUSES developed by authors predicts various characteristics of HEMs such as explosion products including balanced explosion reactions, density of HEMs, velocity of detonation, CJ pressure, etc. The new computational approach described in this paper allows the prediction of heat of explosion (ΔH e ) without any experimental data for different HEMs, which are comparable with experimental results reported in literature. The new algorithm which does not require any complex input parameter is incorporated in LOTUSES (version 1.5) and the results are presented in this paper. The linear regression analysis of all data point yields the correlation coefficient R 2 = 0.9721 with a linear equation y = 0.9262x + 101.45. The correlation coefficient value 0.9721 reveals that the computed values are in good agreement with experimental values and useful for rapid hazard assessment of energetic materials

  20. Study on explosives and their quality performance

    Energy Technology Data Exchange (ETDEWEB)

    Nabiullah, M.; Pingua, B.M.P.; Jagdish Khan, M.; Emranuzzaman [Central Mining Research Institute, Dhanbad (India)

    2005-07-01

    There are about forty suppliers of explosive and blasting accessories in India manufacturing site mixed emulsion, site mixed slurry, ANFO, HANFO, packed products, and blasting accessories of use in surface and underground mines. A field laboratory was set up to measure explosive properties of explosive samples, cast booster, detonating fuse, detonators, cord relay, MS connector, and shock tubes. Density, velocity of detonation, water percentage, water resistance, and energy output were considered as the important properties of explosives. A rating system was designed for selection of good explosive products. The delay interval and delay scattering in cord relay and shock tube was studied to improve blast performance. This paper describes in detail the method of measurement and vender rating system for explosive products as per marking system accepted by Coal India. 12 refs., 4 figs., 22 tabs.

  1. Pulse radiolysis study of reaction of bull serum albumin electron adduct with oxygen. Polychromatic kinetics of reaction with adsorbed oxygen

    International Nuclear Information System (INIS)

    Pribush, A.G.

    1986-01-01

    By the method of pulse radiolysis the reaction of bull serum albumin electron adduct with oxygen is investigated. As pulsed radiation source electron linear accelerators with particle energy of 8.0 and 4.5 MeV and pulse time of 40 ns and 2.2 μs, respectively have been used. It is assumed that the disappearance of protein electron adduct occurs in the course of its interaction with oxygen adsorbed on protein globular molecule

  2. Understanding Trends in Catalytic Activity: The Effect of Adsorbate-Adsorbate Interactions for CO Oxidation Over Transition Metals

    DEFF Research Database (Denmark)

    Grabow, Lars; Larsen, Britt Hvolbæk; Nørskov, Jens Kehlet

    2010-01-01

    Using high temperature CO oxidation as the example, trends in the reactivity of transition metals are discussed on the basis of density functional theory (DFT) calculations. Volcano type relations between the catalytic rate and adsorption energies of important intermediates are introduced...... and the effect of adsorbate-adsorbate interaction on the trends is discussed. We find that adsorbate-adsorbate interactions significantly increase the activity of strong binding metals (left side of the volcano) but the interactions do not change the relative activity of different metals and have a very small...... influence on the position of the top of the volcano, that is, on which metal is the best catalyst....

  3. The environmental effect on the radial breathing mode of carbon nanotubes. II. Shell model approximation for internally and externally adsorbed fluids

    Science.gov (United States)

    Longhurst, M. J.; Quirke, N.

    2006-11-01

    We have previously shown that the upshift in the radial breathing mode (RBM) of closed (or infinite) carbon nanotubes in solution is almost entirely due to coupling of the RBM with an adsorbed layer of fluid on the nanotube surface. The upshift can be modeled analytically by considering the adsorbed fluid as an infinitesimally thin shell, which interacts with the nanotube via a continuum Lennard-Jones potential. Here we extend the model to include internally as well as externally adsorbed waterlike molecules, and find that filling the nanotubes leads to an additional upshift of two to six wave numbers. We show that using molecular dynamics, the RBM can be accurately reproduced by replacing the fluid molecules with a mean field harmonic shell potential, greatly reducing simulation times.

  4. Nuclear explosion and internal contamination; Explosion nucleaire et contamination interne

    Energy Technology Data Exchange (ETDEWEB)

    Aeberhardt, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1956-07-01

    By the study of the conditions of internal contamination due to the radioactive mixture produced by a nuclear explosion, the parts played by the relative weights of the different elements and the mode of expression of the doses are considered. Only the knowledge of the weight composition of the contamination mixture and of its evolution as a function of time can provide the required basis for the study of its metabolism in the organism. The curves which give the composition of the fission product mixture - in number of nuclei - - as a function of time - have been established. These curves are applied to some practical examples, particularly relative to the nature of contamination, radiotoxicity of some elements and assessment of hazards. (author) [French] Etudiant les modalites de la contamination interne par les elements radioactifs apparus lors d'une explosion nucleaire, le role de la 'masse' et le mode d'expression des doses sont envisages. La connaissance de la composition en 'masse' du melange contaminant et de son evolution en fonction du temps peut seule apporter les bases necessaires a l'etude de son comportement dans l'organisme. Les courbes donnant la composition du melange de produits de fission - en nombre de noyaux - - en fonction du temps - ont ete etablies. Quelques applications pratiques, relatives en particulier a la nature de la contamination, a la radiotoxicite de certains elements et a l'evaluation de risque, sont envisagees a titre d'exemple. (auteur)

  5. Ultraviolet Resonant Raman Enhancements in the Detection of Explosives

    Energy Technology Data Exchange (ETDEWEB)

    Short Jr., Billy Joe [Naval Postgraduate School, Monterey, CA (United States)

    2009-06-01

    Raman-based spectroscopy is potentially militarily useful for standoff detection of high explosives. Normal (non-resonance) and resonance Raman spectroscopies are both light scattering techniques that use a laser to measure the vibrational spectrum of a sample. In resonance Raman, the laser is tuned to match the wavelength of a strong electronic absorbance in the molecule of interest, whereas, in normal Raman the laser is not tuned to any strong electronic absorbance bands. The selection of appropriate excitation wavelengths in resonance Raman can result in a dramatic increase in the Raman scattering efficiency of select band(s) associated with the electronic transition. Other than the excitation wavelength, however, resonance Raman is performed experimentally the same as normal Raman. In these studies, normal and resonance Raman spectral signatures of select solid high explosive (HE) samples and explosive precursors were collected at 785 nm, 244 nm and 229 nm. Solutions of PETN, TNT, and explosive precursors (DNT & PNT) in acetonitrile solvent as an internal Raman standard were quantitatively evaluated using ultraviolet resonance Raman (UVRR) microscopy and normal Raman spectroscopy as a function of power and select excitation wavelengths. Use of an internal standard allowed resonance enhancements to be estimated at 229 nm and 244 nm. Investigations demonstrated that UVRR provided ~2000-fold enhancement at 244 nm and ~800-fold improvement at 229 nm while PETN showed a maximum of ~25-fold at 244 nm and ~190-fold enhancement at 229 nm solely from resonance effects when compared to normal Raman measurements. In addition to the observed resonance enhancements, additional Raman signal enhancements are obtained with ultraviolet excitation (i.e., Raman scattering scales as !4 for measurements based on scattered photons). A model, based partly on the resonance Raman enhancement results for HE solutions, is presented for estimating Raman enhancements for solid HE samples.

  6. Use of explosives in pipeline construction work

    Energy Technology Data Exchange (ETDEWEB)

    Ball, M J

    1976-08-01

    Explosives are an essential tool in Great Britain's pipeline-construction industry, with applications on dry land and under water, in trench blasting and tunneling for road and service crossings, demolition of unwanted sections, and removal of coatings. Nobels Explosive Co. Ltd. describes basic explosives operations as pertaining to the requirements of rock trenching, submarine operations, thrust-bore and tunneling operations, demolitions, and precision blasting.

  7. Engineering effects of underground nuclear explosions

    Energy Technology Data Exchange (ETDEWEB)

    Boardman, Charles R [CER Geonuclear Corporation, Las Vegas, NV (United States)

    1970-05-01

    Useful effects of contained underground nuclear explosions are discussed in light of today's most promising potential applications. Relevant data obtained through exploration of explosion environments of nine U.S. tests in competent rock are summarized and presented as a practical basis for estimating magnitudes of effects. Effects discussed include chimney configuration, permeability, and volume as well as rubble particle size distributions and extents of permeability change in the chimney wall rock. Explosion mediums include shale, granite, dolomite, and salt. (author)

  8. Safety problems with abandoned explosive facilities

    International Nuclear Information System (INIS)

    Courtright, W.C.

    1969-01-01

    Procedures were developed for the safe removal of explosive and radioactive contaminated materials structures and drains from abandoned sites, including explosives processing and service buildings with a goal to return the entire area to its natural state and to permit public access. The safety problems encountered in the cleanup and their solutions are applicable to modification and maintenance work in operating explosive facilities. (U.S.)

  9. Engineering effects of underground nuclear explosions

    International Nuclear Information System (INIS)

    Boardman, Charles R.

    1970-01-01

    Useful effects of contained underground nuclear explosions are discussed in light of today's most promising potential applications. Relevant data obtained through exploration of explosion environments of nine U.S. tests in competent rock are summarized and presented as a practical basis for estimating magnitudes of effects. Effects discussed include chimney configuration, permeability, and volume as well as rubble particle size distributions and extents of permeability change in the chimney wall rock. Explosion mediums include shale, granite, dolomite, and salt. (author)

  10. Health Consequences and Management of Explosive Events

    Directory of Open Access Journals (Sweden)

    Abbas Ostadtaghizadeh

    2016-01-01

    Conclusion: Because of the wide range and adverse impacts of explosions, healthcare authorities and staff should have a good grasp of preventive principles, as well as protection and management of explosion sites. Besides they have to be familiar with treating the injured. It is recommended that training courses and simulated explosive events be designed and run by the healthcare sector.

  11. Mathematical modelling of the decomposition of explosives

    International Nuclear Information System (INIS)

    Smirnov, Lev P

    2010-01-01

    Studies on mathematical modelling of the molecular and supramolecular structures of explosives and the elementary steps and overall processes of their decomposition are analyzed. Investigations on the modelling of combustion and detonation taking into account the decomposition of explosives are also considered. It is shown that solution of problems related to the decomposition kinetics of explosives requires the use of a complex strategy based on the methods and concepts of chemical physics, solid state physics and theoretical chemistry instead of empirical approach.

  12. Wireless sensor for detecting explosive material

    Science.gov (United States)

    Lamberti, Vincent E; Howell, Jr., Layton N; Mee, David K; Sepaniak, Michael J

    2014-10-28

    Disclosed is a sensor for detecting explosive devices. The sensor includes a ferromagnetic metal and a molecular recognition reagent coupled to the ferromagnetic metal. The molecular recognition reagent is operable to expand upon absorption of vapor from an explosive material such that the molecular recognition reagent changes a tensile stress upon the ferromagnetic metal. The explosive device is detected based on changes in the magnetic switching characteristics of the ferromagnetic metal caused by the tensile stress.

  13. Explosions on a gas-vacuum interface

    International Nuclear Information System (INIS)

    Nutt, G.; Klein, L.; Ratcliffe, A.E.

    1981-01-01

    A finite-difference computer code is used to calculate the time development of an explosion on a gas-vacuum interface. An analytic theory of the shape of the shock wave produced in the explosion is compared with the results of the computer simulation. The assumptions used in obtaining this analytic solution are verified, and the degree to which the variables describing the explosion are self-similar is examined. Finally, certain consistency relations among the similarity exponents are tested

  14. Explosive hydrogen burning in novae

    International Nuclear Information System (INIS)

    Wiescher, M.; Goerres, J.; Thielemann, F.K.; Ritter, H.

    1986-01-01

    Recent observations (nova CrA 81 and Aql 82) reported large enhancements of element abundances beyond CNO nuclei in nova ejecta, which still wait for a clear theoretical explanation. Attempts to interprete these findings include scenarios like nova events on a O-Ne-Mg white dwarf or nuclear processing which enables the transfer of CNO material to heavier nuclei. In the present study we included all available nuclear information on proton-rich unstable nuclei, to update thermo-nuclear reaction rates in explosive hydrogen burning. They are applied in a systematic analysis of explosive hydrogen burning for a variety of temperature conditions, appropriate to nova explosions. We find that (a) for temperatures T>2 10 8 K, pre-existing material in Ne, Al, or Mg can be transferred to heavier nuclei following the flow pattern of a r(apid) p(roton-capture) process (b) for T> or approx.3.5 10 8 K CNO matter can be processed to heavier nuclei (in accordance with previous findings). On the basis of these results it seems unlikely that nova Aql 82 (which shows strong carbon and oxygen enrichment together with heavier elements) can be explained by a nova event on a bare O-Ne-Mg white dwarf but is rather a result of burning with T> or approx.3.5 10 8 K. An application to existing nova models shows a reduced 26 Al production, when compared to earlier predictions. Both conclusions, however, have to be verified by complete nova calculations which include the improved nuclear physics input, presented here. (orig.)

  15. Shock Initiation of Damaged Explosives

    Energy Technology Data Exchange (ETDEWEB)

    Chidester, S K; Vandersall, K S; Tarver, C M

    2009-10-22

    Explosive and propellant charges are subjected to various mechanical and thermal insults that can increase their sensitivity over the course of their lifetimes. To quantify this effect, shock initiation experiments were performed on mechanically and thermally damaged LX-04 (85% HMX, 15% Viton by weight) and PBX 9502 (95% TATB, 5% Kel-F by weight) to obtain in-situ manganin pressure gauge data and run distances to detonation at various shock pressures. We report the behavior of the HMX-based explosive LX-04 that was damaged mechanically by applying a compressive load of 600 psi for 20,000 cycles, thus creating many small narrow cracks, or by cutting wedge shaped parts that were then loosely reassembled, thus creating a few large cracks. The thermally damaged LX-04 charges were heated to 190 C for long enough for the beta to delta solid - solid phase transition to occur, and then cooled to ambient temperature. Mechanically damaged LX-04 exhibited only slightly increased shock sensitivity, while thermally damaged LX-04 was much more shock sensitive. Similarly, the insensitive explosive PBX 9502 was mechanically damaged using the same two techniques. Since PBX 9502 does not undergo a solid - solid phase transition but does undergo irreversible or 'rachet' growth when thermally cycled, thermal damage to PBX 9502 was induced by this procedure. As for LX-04, the thermally damaged PBX 9502 demonstrated a greater shock sensitivity than mechanically damaged PBX 9502. The Ignition and Growth reactive flow model calculated the increased sensitivities by igniting more damaged LX-04 and PBX 9502 near the shock front based on the measured densities (porosities) of the damaged charges.

  16. Mass and Force Sensing of an Adsorbate on a Beam Resonator Sensor

    Directory of Open Access Journals (Sweden)

    Yin Zhang

    2015-06-01

    Full Text Available The mass sensing superiority of a micro-/nano-mechanical resonator sensor over conventional mass spectrometry has been, or at least is being firmly established. Because the sensing mechanism of a mechanical resonator sensor is the shifts of resonant frequencies, how to link the shifts of resonant frequencies with the material properties of an analyte formulates an inverse problem. Besides the analyte/adsorbate mass, many other factors, such as position and axial force, can also cause the shifts of resonant frequencies. The in situ measurement of the adsorbate position and axial force is extremely difficult if not impossible, especially when an adsorbate is as small as a molecule or an atom. Extra instruments are also required. In this study, an inverse problem of using three resonant frequencies to determine the mass, position and axial force is formulated and solved. The accuracy of the inverse problem solving method is demonstrated, and how the method can be used in the real application of a nanomechanical resonator is also discussed. Solving the inverse problem is helpful to the development and application of a mechanical resonator sensor for two reasons: reducing extra experimental equipment and achieving better mass sensing by considering more factors.

  17. Accelerator Analysis of Tributyltin Adsorbed onto the Surface of a Tributyltin Resistant Marine Pseudoalteromonas sp. Cell

    Directory of Open Access Journals (Sweden)

    Akira Kitamura

    2008-10-01

    Full Text Available Tributyltin (TBT released into seawater from ship hulls is a stable marine pollutant and obviously remains in marine environments. We isolated a TBT resistant marine Pseudoalteromonas sp. TBT1 from sediment of a ship’s ballast water. The isolate (109.3 ± 0.2 colony-forming units mL-1 adsorbed TBT in proportion to the concentrations of TBTCl externally added up to 3 mM, where the number of TBT adsorbed by a single cell was estimated to be 108.2. The value was reduced to about one-fifth when the lysozyme-treated cells were used. The surface of ethanol treated cells became rough, but the capacity of TBT adsorption was the same as that for native cells. These results indicate that the function of the cell surface, rather than that structure, plays an important role to the adsorption of TBT. The adsorption state of TBT seems to be multi-layer when the number of more than 106.8 TBT molecules is adsorbed by a single cell.

  18. Development of a computationally-designed polymeric adsorbent specific for mycotoxin patulin.

    Science.gov (United States)

    Piletska, Elena V; Pink, Demi; Karim, Kal; Piletsky, Sergey A

    2017-12-04

    Patulin is a toxic compound which is found predominantly in apples affected by mould rot. Since apples and apple-containing products are a popular food for the elderly, children and babies, the monitoring of the toxin is crucial. This paper describes a development of a computationally-designed polymeric adsorbent for the solid-phase extraction of patulin, which provides an effective clean-up of the food samples and allows the detection and accurate quantification of patulin levels present in apple juice using conventional chromatography methods. The developed bespoke polymer demonstrates a quantitative binding towards the patulin present in undiluted apple juice. The polymer is inexpensive and easy to mass-produce. The contributing factors to the function of the adsorbent is a combination of acidic and basic functional monomers producing a zwitterionic complex in the solution that formed stronger binding complexes with the patulin molecule. The protocols described in this paper provide a blueprint for the development of polymeric adsorbents for other toxins or different food matrices.

  19. A Novel Nanohybrid Nanofibrous Adsorbent for Water Purification from Dye Pollutants.

    Science.gov (United States)

    Homaeigohar, Shahin; Zillohu, Ahnaf Usman; Abdelaziz, Ramzy; Hedayati, Mehdi Keshavarz; Elbahri, Mady

    2016-10-19

    In this study, we devised a novel nanofibrous adsorbent made of polyethersulfone (PES) for removal of methylene blue (MB) dye pollutant from water. The polymer shows a low isoelectric point thus at elevated pHs and, being nanofibrous, can offer a huge highly hydroxylated surface area for adsorption of cationic MB molecules. As an extra challenge, to augment the adsorbent's properties in terms of adsorption capacity in neutral and acidic conditions and thermal stability, vanadium pentoxide (V₂O₅) nanoparticles were added to the nanofibers. Adsorption data were analyzed according to the Freundlich adsorption model. The thermodynamic parameters verified that only at basic pH is the adsorption spontaneous and in general the process is entropy-driven and endothermic. The kinetics of the adsorption process was evaluated by the pseudo-first- and pseudo-second-order models. The latter model exhibited the highest correlation with data. In sum, the adsorbent showed a promising potential for dye removal from industrial dyeing wastewater systems, especially when envisaging their alkaline and hot conditions.

  20. Motion of Adsorbed Nano-Particles on Azobenzene Containing Polymer Films

    Directory of Open Access Journals (Sweden)

    Sarah Loebner

    2016-12-01

    Full Text Available We demonstrate in situ recorded motion of nano-objects adsorbed on a photosensitive polymer film. The motion is induced by a mass transport of the underlying photoresponsive polymer material occurring during irradiation with interference pattern. The polymer film contains azobenzene molecules that undergo reversible photoisomerization reaction from trans- to cis-conformation. Through a multi-scale chain of physico-chemical processes, this finally results in the macro-deformations of the film due to the changing elastic properties of polymer. The topographical deformation of the polymer surface is sensitive to a local distribution of the electrical field vector that allows for the generation of dynamic changes in the surface topography during irradiation with different light interference patterns. Polymer film deformation together with the motion of the adsorbed nano-particles are recorded using a homemade set-up combining an optical part for the generation of interference patterns and an atomic force microscope for acquiring the surface deformation. The particles undergo either translational or rotational motion. The direction of particle motion is towards the topography minima and opposite to the mass transport within the polymer film. The ability to relocate particles by photo-induced dynamic topography fluctuation offers a way for a non-contact simultaneous manipulation of a large number of adsorbed particles just in air at ambient conditions.

  1. Vibrations of a molecule in an external force field.

    Science.gov (United States)

    Okabayashi, Norio; Peronio, Angelo; Paulsson, Magnus; Arai, Toyoko; Giessibl, Franz J

    2018-05-01

    The oscillation frequencies of a molecule on a surface are determined by the mass distribution in the molecule and the restoring forces that occur when the molecule bends. The restoring force originates from the atomic-scale interaction within the molecule and with the surface, which plays an essential role in the dynamics and reactivity of the molecule. In 1998, a combination of scanning tunneling microscopy with inelastic tunneling spectroscopy revealed the vibrational frequencies of single molecules adsorbed on a surface. However, the probe tip itself exerts forces on the molecule, changing its oscillation frequencies. Here, we combine atomic force microscopy with inelastic tunneling spectroscopy and measure the influence of the forces exerted by the tip on the lateral vibrational modes of a carbon monoxide molecule on a copper surface. Comparing the experimental data to a mechanical model of the vibrating molecule shows that the bonds within the molecule and with the surface are weakened by the proximity of the tip. This combination of techniques can be applied to analyze complex molecular vibrations and the mechanics of forming and loosening chemical bonds, as well as to study the mechanics of bond breaking in chemical reactions and atomic manipulation.

  2. Supernova Explosions Stay In Shape

    Science.gov (United States)

    2009-12-01

    At a very early age, children learn how to classify objects according to their shape. Now, new research suggests studying the shape of the aftermath of supernovas may allow astronomers to do the same. A new study of images from NASA's Chandra X-ray Observatory on supernova remnants - the debris from exploded stars - shows that the symmetry of the remnants, or lack thereof, reveals how the star exploded. This is an important discovery because it shows that the remnants retain information about how the star exploded even though hundreds or thousands of years have passed. "It's almost like the supernova remnants have a 'memory' of the original explosion," said Laura Lopez of the University of California at Santa Cruz, who led the study. "This is the first time anyone has systematically compared the shape of these remnants in X-rays in this way." Astronomers sort supernovas into several categories, or "types", based on properties observed days after the explosion and which reflect very different physical mechanisms that cause stars to explode. But, since observed remnants of supernovas are leftover from explosions that occurred long ago, other methods are needed to accurately classify the original supernovas. Lopez and colleagues focused on the relatively young supernova remnants that exhibited strong X-ray emission from silicon ejected by the explosion so as to rule out the effects of interstellar matter surrounding the explosion. Their analysis showed that the X-ray images of the ejecta can be used to identify the way the star exploded. The team studied 17 supernova remnants both in the Milky Way galaxy and a neighboring galaxy, the Large Magellanic Cloud. For each of these remnants there is independent information about the type of supernova involved, based not on the shape of the remnant but, for example, on the elements observed in it. The researchers found that one type of supernova explosion - the so-called Type Ia - left behind relatively symmetric, circular

  3. Peaceful nuclear explosions and thermodynamics

    International Nuclear Information System (INIS)

    Prieto, F.E.

    1975-01-01

    Some theoretical advances in the thermodynamics of very high pressures are reviewed. A universal (system-independent) formulation of the thermodynamics is sketched, and some of the equations more frequently used are written in system-independent form. Among these equations are: Hugoniot pressure and temperature as functions of volume; the Mie-Gruneisen equation; and an explicit form for the equation of state. It is also shown that this formalism can be used to interpret and predict results from peaceful nuclear explosions. (author)

  4. The experimental investigation of explosive opening switch

    International Nuclear Information System (INIS)

    Zhang Jiande; Zhong Huihuang; Li Chuanlu; Liu Yonggui; Cheng Dongqun; Peng Xianyang

    1996-01-01

    The explosive opening switch (EOS) used in explosive-driven magnetic-flux compression generator (EMCG) circuits was investigated. It is shown that (1) under certain conditions, the EOS voltage is hardly dependent on the size of the explosive and aluminium foil used in EOS; (2) with the explosive coated by an insulator pipe, the opening effect of EOS is better; (3) by use of EOS, a pulse with 5 kA current, 100 kV voltage and 250 ns risetime has been transferred into a resistance load. (author). 12 figs., 5 refs

  5. High Explosives Research and Development (HERD) Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The purpose is to provide high explosive formulation, chemical analysis, safety and performance testing, processing, X-ray, quality control and loading support for...

  6. The experimental investigation of explosive opening switch

    Energy Technology Data Exchange (ETDEWEB)

    Jiande, Zhang; Huihuang, Zhong; Chuanlu, Li; Yonggui, Liu; Dongqun, Cheng; Xianyang, Peng [National Univ. of Defense Technology, Changsha (China). Dept. of Applied Physics

    1997-12-31

    The explosive opening switch (EOS) used in explosive-driven magnetic-flux compression generator (EMCG) circuits was investigated. It is shown that (1) under certain conditions, the EOS voltage is hardly dependent on the size of the explosive and aluminium foil used in EOS; (2) with the explosive coated by an insulator pipe, the opening effect of EOS is better; (3) by use of EOS, a pulse with 5 kA current, 100 kV voltage and 250 ns risetime has been transferred into a resistance load. (author). 12 figs., 5 refs.

  7. Risk of dust explosions of combustible nanomaterials

    International Nuclear Information System (INIS)

    Dobashi, Ritsu

    2009-01-01

    Nanomaterials have several valuable properties and are widely used for various practical applications. However, safety matters are suspected such as the influence on health and environment, and fire and explosion hazards. To minimize the risk of nanomaterials, appropriate understanding of these hazards is indispensable. Nanoparticles of combustible materials have potential hazard of dust explosion accidents. However, the explosion risk of nanomaterials has not yet been understood adequately because of the lack of data for nanomaterials. In this presentation, the risk of dust explosions of nanomaterials is discussed.

  8. M55 Rocket Fire/Explosion Concerns

    National Research Council Canada - National Science Library

    2006-01-01

    ...: chemical and petrochemical process hazards and investigations, propellant and explosives manufacturing and testing, risk evaluation and incident investigation, mechanical processing and environmental...

  9. An in situ XPS study of L-cysteine co-adsorbed with water on polycrystalline copper and gold

    Science.gov (United States)

    Jürgensen, Astrid; Raschke, Hannes; Esser, Norbert; Hergenröder, Roland

    2018-03-01

    The interactions of biomolecules with metal surfaces are important because an adsorbed layer of such molecules introduces complex reactive functionality to the substrate. However, studying these interactions is challenging: they usually take place in an aqueous environment, and the structure of the first few monolayers on the surface is of particular interest, as these layers determine most interfacial properties. Ideally, this requires surface sensitive analysis methods that are operated under ambient conditions, for example ambient pressure x-ray photoelectron spectroscopy (AP-XPS). This paper focuses on an AP-XPS study of the interaction of water vapour and l-Cysteine on polycrystalline copper and gold surfaces. Thin films of l-Cysteine were characterized with XPS in UHV and in a water vapour atmosphere (P ≤ 1 mbar): the structure of the adsorbed l-Cysteine layer depended on substrate material and deposition method, and exposure of the surface to water vapour led to the formation of hydrogen bonds between H2O molecules and the COO- and NH2 groups of adsorbed l-Cysteine zwitterions and neutral molecules, respectively. This study also proved that it is possible to investigate monolayers of biomolecules in a gas atmosphere with AP-XPS using a conventional laboratory Al-Kα x-ray source.

  10. Pulse radiolysis investigation of the reaction of the electronic adduct of bovine serum albumin with oxygen. Polychromatic kinetics of the reaction with adsorbed oxygen

    International Nuclear Information System (INIS)

    Pribush, A.G.

    1986-01-01

    The method of pulse radiolysis was used to investigate the reaction of the electronic adduct of bovine serum albumin with oxygen. It was suggested that the disappearance of the electronic adduct of the protein occurs in the course of its interaction with oxygen adsorbed on the globular protein molecule

  11. General phenomenology of underground nuclear explosions; Phenomenologie generale des explosions nucleaires souterraines

    Energy Technology Data Exchange (ETDEWEB)

    Derlich, S; Supiot, F [Commissariat a l' Energie Atomique, Bruyeres-le-Chatel (France). Centre d' Etudes

    1969-07-01

    An essentially qualitatively description is given of the phenomena related to underground nuclear explosions (explosion of a single unit, of several units in line, and simultaneous explosions). In the first chapter are described the phenomena which are common to contained explosions and to explosions forming craters (formation and propagation of a shock-wave causing the vaporization, the fusion and the fracturing of the medium). The second chapter describes the phenomena related to contained explosions (formation of a cavity with a chimney). The third chapter is devoted to the phenomenology of test explosions which form a crater; it describes in particular the mechanism of formation and the different types of craters as a function of the depth of the explosion and of the nature of the ground. The aerial phenomena connected with explosions which form a crater: shock wave in the air and focussing at a large distance, and dust clouds, are also dealt with. (authors) [French] On donne une description essentiellement qualitative des phenomenes lies aux explosions nucleaires souterraines (explosion d'un seul engin, d'engins en ligne et explosions simultanees). Dans un premier chapitre sont decrits les phenomenes communs aux explosions contenues et aux explosions formant un cratere (formation et propagation d'une onde de choc provoquant la vaporisation, la fusion et la fracturation du milieu). Le deuxieme chapitre decrit les phenomenes lies aux tirs contenus (formation d'une cavite et d'une cheminee). Le troisieme chapitre est consacre a la phenomenologie des tirs formant un cratere et decrit notamment le mecanisme de formation et les differents types de crateres en fonction de la profondeur d'explosion et de la nature du terrain. Les phenomenes aeriens lies aux explosions formant un cratere: onde de pression aerienne et focalisation a grande distance, nuages de poussieres, sont egalement abordes. (auteurs)

  12. High-resolution ellipsometric study of an n-alkane film, dotriacontane, adsorbed on a SiO2 surface

    DEFF Research Database (Denmark)

    Volkmann, U.G.; Pino, M.; Altamirano, L.A.

    2002-01-01

    -crystal substrates. Our results suggest a model of a solid dotriacontane film that has a phase closest to the SiO2 surface in which the long-axis of the molecules is oriented parallel to the interface. Above this "parallel film" phase, a solid monolayer adsorbs in which the molecules are oriented perpendicular...... at higher coverages. In addition, we have performed high-resolution ellipsometry and stray-light measurements on dotriacontane films deposited from solution onto highly oriented pyrolytic graphite substrates. After film deposition, these substrates proved to be less stable in air than SiO2....

  13. The Condensation of Water on Adsorbed Viruses

    NARCIS (Netherlands)

    Alonso Carnicero, J.M.; Tatti, F.; Chuvilin, A.; Mam, K.; Ondarcuhu, T.; Bittner, A.M.

    2013-01-01

    The wetting and dewetting behavior of biological nanostructures and to a greater degree single molecules is not well-known even though their contact with water is the basis for all biology. Here, we show that environmental electron microscopy (EM) can be applied as a means of imaging the

  14. A nuclear standard high-efficiency adsorber for iodine

    International Nuclear Information System (INIS)

    Wang Jianmin; Qian Yinge

    1988-08-01

    The structure of a nuclear standard high-efficiency adsorber, adsorbent and its performance are introduced. The performance and structure were compared with the same kind product of other firms. The results show that the leakage rate is less than 0.005%

  15. Comparative evaluation of selected starches as adsorbent for Thin ...

    African Journals Online (AJOL)

    The most commonly used is silica gel which is an inorganic adsorbent. Organic substances like cellulose, polyethylene are also used. All these are imported into Nigeria and are unhealthy for economic policies. Most commonly used adsorbent may not be easy to produce locally, but starch, which is a very common product, ...

  16. Synthesis and properties of porous zeolite aluminosilicate adsorbents

    International Nuclear Information System (INIS)

    Shilina, A.S.; Milinchuk, V.K.; Burukhin, S.B.; Gordienko, A.B.

    2015-01-01

    Environmentally safe non-energy-intensive methods of the synthesis have been developed and the properties of solid inorganic nanostructured zeolite-like adsorbents of a broad spectrum have been studied. The sorption capacities of the adsorbents with respect to various components of water pollution have been determined [ru

  17. Development of ultrafiltration and inorganic adsorbents: January--March 1977

    International Nuclear Information System (INIS)

    Koenst, J.W. Jr.

    1977-01-01

    Ultrafiltration media with and without the assistance of bone char filters were evaluated to determine their effectiveness in removing radionuclides from contaminated solutions. Precipitants, resin, adsorbents, and inorganic adsorbents were studied to determine their effectiveness in decontaminating solutions. A study of the effects of radiation on ultrafiltration media was initiated. An ultrafiltration media pilot plant was ordered and is being installed

  18. Mixed-matrix membrane adsorbers for protein separation

    NARCIS (Netherlands)

    Avramescu, M.E.; Borneman, Z.; Wessling, M.

    2003-01-01

    The separation of two similarly sized proteins, bovine serum albumin (BSA) and bovine hemoglobin (Hb) was carried out using a new type of ion-exchange mixed-matrix adsorber membranes. The adsorber membranes were prepared by incorporation of various types of Lewatit ion-exchange resins into an

  19. Single bank NOx adsorber for heavy duty diesel engines

    NARCIS (Netherlands)

    Genderen, M. van; Aken, M.G. van

    2003-01-01

    In a NOx adsorber programme the feasibility for applying this technology to heavy duty diesel engines was investigated. After modelling and simulations for realising best λ < 1 engine conditions a platform was build which was used to obtain good NOx adsorber regeneration settings in a number of

  20. 27 CFR 555.181 - Reporting of plastic explosives.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 3 2010-04-01 2010-04-01 false Reporting of plastic..., FIREARMS, AND EXPLOSIVES, DEPARTMENT OF JUSTICE EXPLOSIVES COMMERCE IN EXPLOSIVES Marking of Plastic Explosives § 555.181 Reporting of plastic explosives. All persons, other than an agency of the United States...

  1. 27 CFR 70.445 - Commerce in explosives.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 2 2010-04-01 2010-04-01 false Commerce in explosives. 70... Cartridges, and Explosives § 70.445 Commerce in explosives. Part 55 of title 27 CFR contains the regulations..., explosives, (b) Permits for users who buy or transport explosives in interstate or foreign commerce, (c...

  2. A structured approach to forensic study of explosions: The TNO Inverse Explosion Analysis tool

    NARCIS (Netherlands)

    Voort, M.M. van der; Wees, R.M.M. van; Brouwer, S.D.; Jagt-Deutekom, M.J. van der; Verreault, J.

    2015-01-01

    Forensic analysis of explosions consists of determining the point of origin, the explosive substance involved, and the charge mass. Within the EU FP7 project Hyperion, TNO developed the Inverse Explosion Analysis (TNO-IEA) tool to estimate the charge mass and point of origin based on observed damage

  3. A molecular dynamics study on the transport of a charged biomolecule in a polymeric adsorbent medium and its adsorption onto a charged ligand.

    Science.gov (United States)

    Riccardi, E; Wang, J-C; Liapis, A I

    2010-08-28

    The transport of a charged adsorbate biomolecule in a porous polymeric adsorbent medium and its adsorption onto the covalently immobilized ligands have been modeled and investigated using molecular dynamics modeling and simulations as the third part of a novel fundamental methodology developed for studying ion-exchange chromatography based bioseparations. To overcome computational challenges, a novel simulation approach is devised where appropriate atomistic and coarse grain models are employed simultaneously and the transport of the adsorbate is characterized through a number of locations representative of the progress of the transport process. The adsorbate biomolecule for the system studied in this work changes shape, orientation, and lateral position in order to proceed toward the site where adsorption occurs and exhibits decreased mass transport coefficients as it approaches closer to the immobilized ligand. Furthermore, because the ligands are surrounded by counterions carrying the same type of charge as the adsorbate biomolecule, it takes the biomolecule repeated attempts to approach toward a ligand in order to displace the counterions in the proximity of the ligand and to finally become adsorbed. The formed adsorbate-ligand complex interacts with the counterions and polymeric molecules and is found to evolve slowly and continuously from one-site (monovalent) interaction to multisite (multivalent) interactions. Such a transition of the nature of adsorption reduces the overall adsorption capacity of the ligands in the adsorbent medium and results in a type of surface exclusion effect. Also, the adsorption of the biomolecule also presents certain volume exclusion effects by not only directly reducing the pore volume and the availability of the ligands in the adjacent regions, but also causing the polymeric molecules to change to more compact structures that could further shield certain ligands from being accessible to subsequent adsorbate molecules. These

  4. Ionogenic adsorbents based on local raw materials for radiation protection

    International Nuclear Information System (INIS)

    Isobaev, M.D.; Davlatnazarova, M.; Turdialiev, M.Z.; Abdullayev, T.H.; Pulatov, E.H.

    2012-01-01

    The successful management of uranium wastes and creating the conditions for effective rehabilitation activities require special adsorbents capable of holding on the surface complexes, including radioactive elements. Currently tested and have shown promising synthetic adsorbents based pitted apricot fruits and other fruit plants. This report presents data for the establishment of ionic type available adsorbents based on Tajikistan coal. As the base for the creation of this type of adsorbent were taken the coal of the 'Ziddi' deposits. As follows from our data on the chemical composition, the studied coals contain more than 20% of the ash. According to the available literature theses ashes contains various minerals compositions that can form the adsorbent's active surface. Thus, the model for this type of activated carbon can serve as a mixture of zeolite, ion exchange resins and activated carbon itself.

  5. Processing method and device for iodine adsorbing material

    International Nuclear Information System (INIS)

    Watanabe, Shin-ichi; Shiga, Reiko.

    1997-01-01

    An iodine adsorbing material adsorbing silver compounds is reacted with a reducing gas, so that the silver compounds are converted to metal silver and stored. Then, the silver compounds are not melted or recrystallized even under a highly humid condition, accordingly, peeling of the adsorbed materials from a carrier can be prevented, and the iodine adsorbing material can be stored stably. Since the device is disposed in an off gas line for discharging off gases from a nuclear power facility, the iodine adsorbing material formed by depositing silver halides to the carrier is contained, and a reducing or oxidizing gas is supplied to the vessel as required, and silver halides can be converted to metal silver or the metal silver can be returned to silver halide. (T.M.)

  6. Nano-sized Adsorbate Structure Formation in Anisotropic Multilayer System

    Science.gov (United States)

    Kharchenko, Vasyl O.; Kharchenko, Dmitrii O.; Yanovsky, Vladimir V.

    2017-05-01

    In this article, we study dynamics of adsorbate island formation in a model plasma-condensate system numerically. We derive the generalized reaction-diffusion model for adsorptive multilayer system by taking into account anisotropy in transfer of adatoms between neighbor layers induced by electric field. It will be found that with an increase in the electric field strength, a structural transformation from nano-holes inside adsorbate matrix toward separated nano-sized adsorbate islands on a substrate is realized. Dynamics of adsorbate island sizes and corresponding distributions are analyzed in detail. This study provides an insight into details of self-organization of adatoms into nano-sized adsorbate islands in anisotropic multilayer plasma-condensate systems.

  7. Noble gas separation with the use of inorganic adsorbents

    International Nuclear Information System (INIS)

    Pence, D.T.; Chou, C.C.; Christian, J.D.; Paplawsky, W.J.

    1979-01-01

    A noble gas separation process is proposed for application to airborne nuclear fuel reprocessing plant effluents. The process involves the use of inorganic adsorbents for the removal of contaminant gases and noble gas separation through selective adsorption. Water and carbon dioxide are removed with selected zeolites that do not appreciably adsorb the noble gases. Xenon is essentially quantitatively removed with a specially developed adsorbent using conventional adsorption-desorption techniques. Oxygen is removed to low ppM levels by the use of a rapid cycle adsorption technique on a special adsorbent leaving a krypton-nitrogen mixture. Krypton is separated from nitrogen with a special adsorbent operated at about -80 0 C. Because the separation process does not require high pressures and oxygen is readily removed to sufficiently limit ozone formation to insignificant levels, appreciable capital and operating cost savings with this process are possible compared with other proposed processes. In addition, the proposed process is safer to operate

  8. Flow boundary conditions for chain-end adsorbing polymer blends.

    Science.gov (United States)

    Zhou, Xin; Andrienko, Denis; Delle Site, Luigi; Kremer, Kurt

    2005-09-08

    Using the phenol-terminated polycarbonate blend as an example, we demonstrate that the hydrodynamic boundary conditions for a flow of an adsorbing polymer melt are extremely sensitive to the structure of the epitaxial layer. Under shear, the adsorbed parts (chain ends) of the polymer melt move along the equipotential lines of the surface potential whereas the adsorbed additives serve as the surface defects. In response to the increase of the number of the adsorbed additives the surface layer becomes thinner and solidifies. This results in a gradual transition from the slip to the no-slip boundary condition for the melt flow, with a nonmonotonic dependence of the slip length on the surface concentration of the adsorbed ends.

  9. Seismic verification of underground explosions

    International Nuclear Information System (INIS)

    Glenn, L.A.

    1986-01-01

    The principal tools for monitoring compliance with a comprehensive test ban treaty (CTBT), prohibiting all testing of nuclear weapons, are seismic networks and surveillance satellites. On-site inspections might also be required to resolve ambiguous events. The critical element of the monitoring system is the network of seismic stations, and in particular the in-country station. Internal stations provide much more useful data than do stations outside the borders of testing nations. For large events that are not eliminated by depth or location, one of the most useful discriminants is based on the ratio of surface-wave to body-wave magnitudes (M /sub s/ :m /sub b/ ). If an explosion and an earthquake have the same body-wave magnitude, the surface-wave magnitude for the earthquake is generally larger. It has yet to be proven that M /sub s/ :m /sub b/ is useful at low magnitudes, expecially when explosions are set off in long tunnels or odd-shaped cavities. A number of other promising regional discriminants have been suggested. Evasion opportunities and cavity decoupling are discussed

  10. Chernobyl: Anatomy of the explosion

    International Nuclear Information System (INIS)

    Lvov, G.

    1992-01-01

    On Friday, 26 April 1986, it was planned to shut down the fourth unit of the Chernobyl Atomic Power Station, U.S.S.R., for periodic maintenance. The procedure supplied the opportunity to perform a further experiment; operation of the turbine in free rotation regime, which occurs when the steam is cut down while the turbine is still running. It so happened that carrying out this experiment turned out to be the worst accident in the history of nuclear power industry. The first part of the article proceeds to a second by second detailed analysis of the causes of the catastrophe. The analysis uses official data and reports. The author covers the sequence of events, which led up to two explosions in the second hour of that tragic morning. In the second part of the article, the author provides hints and suggestions, so that 'the tragedy of Chernobyl does not become a useless lesson'. With regard to what, so far, has been published, the novelty of the article may be a diagram showing the excessive changes that affected the main parameters (power, water flow through circulating pumps, steam pressure in separators, and length of the immersed part of control rods) in the fourth unit during the last seconds before the explosion. If may be noteworthy to mention that the curves supplied here are based on data stored in the computer 'SCALA'. 2 figs

  11. Explosive double salts and preparation

    Science.gov (United States)

    Cady, Howard H.; Lee, Kien-yin

    1984-01-01

    Applicants have discovered a new composition of matter which is an explosive addition compound of ammonium nitrate (AN) and diethylenetriamine trinitrate (DETN) in a 50:50 molar ratio. The compound is stable over extended periods of time only at temperatures higher than 46.degree. C., decomposing to a fine-grained eutectic mixture (which is also believed to be new) of AN and DETN at temperatures lower than 46.degree. C. The compound of the invention has an x-ray density of 1.61 g/cm.sup.3, explodes to form essentially only gaseous products, has higher detonation properties (i.e., detonation velocity and pressure) than those of any mechanical mixture having the same density and composition as the compound of the invention, is a quite insensitive explosive material, can be cast at temperatures attainable by high pressure steam, and is prepared from inexpensive ingredients. Methods of preparing the compound of the invention and the fine-grained eutectic composition of the invention are given.

  12. Vapor Explosions with Subcooled Freon

    International Nuclear Information System (INIS)

    Henry, R.E.; Fauske, Hans K.; McUmber, L.M.

    1976-01-01

    Explosive vapor formation accompanied by destructive shock waves, can be produced when two liquids, at much different temperatures, are brought into intimate contact. A proposed analytical model states that the interface temperature upon contact between the two liquid systems, gust be greater than or equal to the spontaneous nucleation temperature of that liquid-liquid system and that the thermal boundary layer must be sufficiently developed to support a critical size cavity. For time scales greater than 10-12 sec, the interface temperature upon contact of two semi-infinite masses, with constant thermal properties, can be related to the initial liquid temperatures. The spontaneous nucleation behavior at the interface can either be heterogeneous or homogeneous in nature. In either case, the critical size cavities, which initiate the vaporization process, are produced by local density fluctuations within the cold liquid. For homogeneous conditions, the two liquids present a well-wetted system and the vapor embryos are produced entirely within the cold liquid. For heterogeneous conditions, which result from poor, or imperfect wetting, at the liquid-liquid interface, the critical sized cavities are created at the interface at somewhat lower temperatures. A sequence of experiments, using Freon-22 and water, Freon-22 and mineral oil, and Freon-12 and mineral oil have been performed to test this spontaneous nucleation premise. For Freon-22 at its normal boiling point, the interface temperature of the water must be at least 77 deg. C before the interface temperature equals or exceeds the minimum homogeneous nucleation value of 54 deg. C and 84 deg. C before the interface temperature equals 60 deg. C where the homogeneous nucleation rate becomes truly explosive. The Freon-water test demonstrated explosive interactions for water temperatures considerably lower than this value and this was attributed to the heterogeneous nucleation characteristics of that particular system

  13. Influence of Adsorbed Water on the Oxygen Evolution Reaction on Oxides

    DEFF Research Database (Denmark)

    Siahrostami, Samira; Vojvodic, Aleksandra

    2015-01-01

    We study the interface between adsorbed water and stoichiometric, defect-free (110) rutile oxide surfaces of TiO2, RuO2, and IrO2 in order to understand how water influences the stabilities of the intermediates of the oxygen evolution reaction (OER). In our model the water is treated as explicitly...... molecules binding to bridging oxygens. The third chain interacts weakly and predominantly with the H2O molecules of the second layer, resembling bulk water. We find that the stability of the water layer close to the oxide surface is almost the same as the one found on flat metal surfaces, such as the Pt(111...... of RuO2 and IrO2, while it is increased by similar to 0.4 eV for TiO2....

  14. Surface Chirality of Gly-Pro Dipeptide Adsorbed on a Cu(110) Surface.

    Science.gov (United States)

    Cruguel, Hervé; Méthivier, Christophe; Pradier, Claire-Marie; Humblot, Vincent

    2015-07-01

    The adsorption of chiral Gly-Pro dipeptide on Cu(110) has been characterized by combining in situ polarization modulation infrared reflection absorption spectroscopy (PM-RAIRS) and X-ray photoelectron spectroscopy (XPS). The chemical state of the dipeptide, and its anchoring points and adsorption geometry, were determined at various coverage values. Gly-Pro molecules are present on Cu(110) in their anionic form (NH2 /COO(-)) and adsorb under a 3-point binding via both oxygen atoms of the carboxylate group and via the nitrogen atom of the amine group. Low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) have shown the presence of an extended 2D chiral array, sustained via intermolecular H-bonds interactions. Furthermore, due to the particular shape of the molecule, only one homochiral domain is formed, creating thus a truly chiral surface. © 2015 Wiley Periodicals, Inc.

  15. Excited neutral atomic fragments in the strong-field dissociation of N2 molecules

    International Nuclear Information System (INIS)

    Nubbemeyer, T; Eichmann, U; Sandner, W

    2009-01-01

    Excited neutral N* fragments with energies between 3 eV and 15 eV have been observed from the dissociation of N 2 molecules in strong laser fields. The kinetic energy spectrum of the excited neutral atoms corresponds to Coulomb explosion processes involving N + ions. This supports the assumption that the production of excited neutral fragments stems from a process in which one of the participating ions in the Coulomb explosion captures an electron into a Rydberg state.

  16. The growth and electronic structure of azobenzene-based functional molecules on layered crystals

    International Nuclear Information System (INIS)

    Iwicki, J; Ludwig, E; Buck, J; Kalläne, M; Kipp, L; Rossnagel, K; Köhler, F; Herges, R

    2012-01-01

    In situ ultraviolet photoelectron spectroscopy is used to study the growth of ultrathin films of azobenzene-based functional molecules (azobenzene, Disperse Orange 3 and a triazatriangulenium platform with an attached functional azo-group) on the layered metal TiTe 2 and on the layered semiconductor HfS 2 at liquid nitrogen temperatures. Effects of intermolecular interactions, of the substrate electronic structure, and of the thermal energy of the sublimated molecules on the growth process and on the adsorbate electronic structure are identified and discussed. A weak adsorbate-substrate interaction is particularly observed for the layered semiconducting substrate, holding the promise of efficient molecular photoswitching.

  17. Close-in airblast from underground explosions

    Energy Technology Data Exchange (ETDEWEB)

    Vortman, L J [Sandia Laboratories, Albuquerque, NM (United States)

    1970-05-15

    Air overpressures as a function of time have been measured from surface zero to about 170 ft/lb{sup 1/3} along the ground from nuclear and chemical explosions. Charge depths varied from the surface to depths below which explosion gases are contained. A ground-shock-induced air pressure pulse is clearly distinguishable from the pulse caused by venting gases. Measured peak overpressures show reasonable agreement with the theoretical treatment by Monta. In a given medium the suppression of blast with explosion burial depth is a function of the relative distance at which the blast is observed. Rates of suppression of peak overpressure with charge burial are different for the two pulses. Rates are determined for each pulse over the range of distances at which measurements have been made of air overpressure from chemical explosions in several media. Nuclear data are available from too few shots for similar dependence on burial depth and distance to be developed, but it is clear that the gas venting peak overpressure from nuclear explosions is much more dependent on medium than that from chemical explosions. For above-ground explosions, experiment has shown that airblast from a I-kiloton nuclear explosion is equal to that from a 0.5-kiloton TNT explosion. Data on ground-shock-induced airblast is now sufficient to show that a similar relationship may exist for buried explosions. Because of medium dependence of the gas venting pulse from nuclear explosions, data from additional nuclear events will be required before a chemical/nuclear airblast equivalence can be determined for the gas-venting pulse. (author)

  18. Bioavailability of Carbon Nanomaterial-Adsorbed Polycyclic Aromatic Hydrocarbons to Pimphales promelas: Influence of Adsorbate Molecular Size and Configuration.

    Science.gov (United States)

    Linard, Erica N; Apul, Onur G; Karanfil, Tanju; van den Hurk, Peter; Klaine, Stephen J

    2017-08-15

    Despite carbon nanomaterials' (CNMs) potential to alter the bioavailability of adsorbed contaminants, information characterizing the relationship between adsorption behavior and bioavailability of CNM-adsorbed contaminants is still limited. To investigate the influence of CNM morphology and organic contaminant (OC) physicochemical properties on this relationship, adsorption isotherms were generated for a suite of polycyclic aromatic hydrocarbons (PAHs) on multiwalled carbon nanotubes (MWCNTs) and exfoliated graphene (GN) in conjunction with determining the bioavailability of the adsorbed PAHs to Pimphales promelas using bile analysis via fluorescence spectroscopy. Although it appeared that GN adsorbed PAHs indiscriminately compared to MWCNTs, the subsequent bioavailability of GN-adsorbed PAHs was more sensitive to PAH morphology than MWCNTs. GN was effective at reducing bioavailability of linear PAHs by ∼70%, but had little impact on angular PAHs. MWCNTs were sensitive to molecular size, where bioavailability of two-ringed naphthalene was reduced by ∼80%, while bioavailability of the larger PAHs was reduced by less than 50%. Furthermore, the reduction in bioavailability of CNM-adsorbed PAHs was negatively correlated with the amount of CNM surface area covered by the adsorbed-PAHs. This study shows that the variability in bioavailability of CNM-adsorbed PAHs is largely driven by PAH size, configuration and surface area coverage.

  19. Milestone Report - Complete New Adsorbent Materials for Marine Testing to Demonstrate 4.5 g-U/kg Adsorbent

    Energy Technology Data Exchange (ETDEWEB)

    Janke, Christopher James [ORNL; Das, Sadananda [ORNL; Oyola, Yatsandra [ORNL; Mayes, Richard T. [ORNL; Saito, Tomonori [ORNL; Brown, Suree [ORNL; Gill, Gary [PNNL; Kuo, Li-Jung [PNNL; Wood, Jordana [PNNL

    2014-08-01

    This report describes work on the successful completion of Milestone M2FT-14OR03100115 (8/20/2014) entitled, “Complete new adsorbent materials for marine testing to demonstrate 4.5 g-U/kg adsorbent”. This effort is part of the Seawater Uranium Recovery Program, sponsored by the U.S. Department of Energy, Office of Nuclear Energy, and involved the development of new adsorbent materials at the Oak Ridge National Laboratory (ORNL) and marine testing at the Pacific Northwest National Laboratory (PNNL). ORNL has recently developed two new families of fiber adsorbents that have demonstrated uranium adsorption capacities greater than 4.5 g-U/kg adsorbent after marine testing at PNNL. One adsorbent was synthesized by radiation-induced graft polymerization of itaconic acid and acrylonitrile onto high surface area polyethylene fibers followed by amidoximation and base conditioning. This fiber showed a capacity of 4.6 g-U/kg adsorbent in marine testing at PNNL. The second adsorbent was prepared by atom-transfer radical polymerization of t-butyl acrylate and acrylonitrile onto halide-functionalized round fibers followed by amidoximation and base hydrolysis. This fiber demonstrated uranium adsorption capacity of 5.4 g-U/kg adsorbent in marine testing at PNNL.

  20. SERS and DFT study of p-hydroxybenzoic acid adsorbed on colloidal silver particles.

    Science.gov (United States)

    Chen, Y; Chen, S J; Li, S; Wei, J J

    2015-10-16

    In this study, normal Raman spectra of p—hydroxybenzoic acid (PHBA) powder and its surface—enhanced Raman scattering (SERS) spectra in silver colloidal solutions were measured under near infrared excitation conditions. In theoretical calculation, two models of PHBA adsorbed on the surfaces of silver nanoparticles were established. The Raman frequencies of these two models using density functional theory (DFT) method were calculated, and compared with the experimental results. It was found that the calculated Raman frequencies were in good agreement with experimental values, which indicates that there are two enhanced mechanism physical (electromagnetic, EM) enhancement and chemical (charge—transfer, CT) enhancement, in silver colloidal solutions regarding SERS effect. Furthermore, from high—quality SERS spectrum of PHBA obtained in silver colloids, we inferred that PHBA molecules in silver colloids adsorb onto the metal surfaces through carboxyl at a perpendicular orientation. The combination of SERS spectra and DFT calculation is thus useful for studies of the adsorption—orientation of a molecule on a metal colloid.

  1. The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO2 with H2O Molecule Adsorption

    International Nuclear Information System (INIS)

    Wang Tao; Guo Qing; Liu Yan; Wang Wen-Bo; Sheng Kuang; Ao Zhi-Min; Yu Bin

    2011-01-01

    The atomic and electronic structures of AB-stacking bilayer graphene (BLG) in the presence of H 2 O molecules are investigated by density functional theory calculations. For free-standing BLG, the bandgap is opened to 0.101 eV with a single H 2 O molecule adsorbed on its surface. The perfectly suspended BLG is sensitive to H 2 O adsorbates, which break the BLG lattice symmetry and open an energy gap. While a single H 2 O molecule is adsorbed on the BLG surface with a SiO 2 substrate, the bandgap widens to 0.363 eV. Both the H 2 O molecule adsorption and the oxide substrate contribute to the BLG bandgap opening. The phenomenon is interpreted with the charge transfer process in 2D carbon nanostructures. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  2. Surface characterization of Ag/Titania adsorbents

    International Nuclear Information System (INIS)

    Samokhvalov, Alexander; Nair, Sachin; Duin, Evert C.; Tatarchuk, Bruce J.

    2010-01-01

    The Ag/Titania adsorbent for selective removal of the desulfurization-refractive polycyclic aromatic sulfur heterocycles (PASHs) from liquid hydrocarbon fuels was prepared, its total and the Ag specific surface area were determined and the surface reaction sites in the sorbent that may be active in the adsorptive selective desulfurization were characterized by several spectroscopic and surface science techniques. The sorbent contains Ag, Ti, O and spurious C on its surface, as by the XPS measurements. Silver is present as an oxide, as judged by the XPS Auger parameter (AP). The complementary electron spin resonance (ESR) spectroscopy confirms that the majority of Ag is present in the diamagnetic Ag 1+ form, with the minor concentration (∼0.1% of total Ag) present as Ag 2+ . The findings by XPS and ESR are confirmed by the XRD, UV-vis spectroscopy and thermodynamic considerations. The supported Ag is highly dispersed on the surface of the titania support, with the particle size of ∼30-60 A depending on Ag content, with an Ag specific surface area of ∼7-14 m 2 /g, vs. the total surface area of ∼114-58 m 2 /g.

  3. Some analytical methods for explosives: Part 2

    Energy Technology Data Exchange (ETDEWEB)

    Selig, W.

    1965-12-08

    This report is the second compilation of methods for analyzing explosives. All the methods were developed for routine performance by techniques, and an attempt has therefore been made to keep them as simple as possible. Methods are presented for analyzing plastic-bonded explosives based on sym-cyclomethylenetetra-nitramine (HMX), based on viton in addition to HMX, and based on pentraerythritol tetranitrate (PETN).

  4. Glass produced by underground nuclear explosions

    International Nuclear Information System (INIS)

    Schwartz, L.; Piwinskii, A.; Ryerson, F.; Tewes, H.; Beiriger, W.

    1983-01-01

    Detonation of an underground nuclear explosive produces a strong shock wave which propagates spherically outward, vaporizing the explosive and nearby rock and melting, the surrounding rock. The vaporized material expands adiabatically, forming a cavity. As the energy is dissipated during the cavity formation process, the explosive and rock debris condense and mix with the melted rock. The melt flows to the bottom of the cavity where it is quenched by fractured rock fragments falling from above as the cavity collapses. Measurements indicate that about 740 tonnes of rock and/or soil are melted for every kiloton (10 12 calories) of explosive energy, or about 25% of the explosive energy goes to melting rock. The resulting glass composition reflects the composition of the unaltered rock with explosive debris. The appearance ranges from white pumice to dense, dark lava. The bulk composition and color vary with the amount of explosive iron incorporated into the glass. The refractory explosion products are mixed with the solidified melt, although the degree of mixing is variable. Electron microprobe studies of glasses produced by Rainier in welded tuff have produced the following results: glasses are dehydrated relative to the host media, glasses are extremely heterogeneous on a 20 μm scale, a ubiquitous feature is the presence of dark marble-cake regions in the glass, which were locally enriched in iron and may be related to the debris, optically amorphous regions provide evidence of shock melting, only limited major element redistribution and homogenization occur within the cavity

  5. High-explosive driven crowbar switch

    International Nuclear Information System (INIS)

    Dike, R.S.; Kewish, R.W. Jr.

    1976-01-01

    The disclosure relates to a compact explosive driven switch for use as a low resistance, low inductance crowbar switch. A high-explosive charge extrudes a deformable conductive metallic plate through a polyethylene insulating layer to achieve a hard current contact with a supportive annular conductor

  6. Simulation of explosive welding with ANFO mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi, A.A. Akbari; Burley, Stephen J.; Al-Hassani, S.T.S. [Department of Mechanical, Aerospace and Manufacturing Engineering, UMIST, PO Box 88, Manchester M60 1QD (United Kingdom); Byers Brown, W. [Mass Action Research Consultancy, Devonshire House, 14 Corbar Road, Buxton, SK17 6RQ (United Kingdom)

    2004-06-01

    The work described here arose from a study into explosive welding. As part of that study, the impact velocity of stainless steel and titanium plates to grazing detonation of ANFO/perlite, the velocity of detonation were measured. Computer simulation required a new model which copes with an equation of state of low explosives. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  7. Sensitivity to friction for primary explosives

    International Nuclear Information System (INIS)

    Matyáš, Robert; Šelešovský, Jakub; Musil, Tomáš

    2012-01-01

    Highlights: ► The friction sensitivity of 14 samples of primary explosives was determined. ► The same apparatus (small scale BAM) and the same method (probit analysis) was used. ► The crystal shapes and sizes were documented with microscopy. ► Almost all samples are less sensitive than lead azide, which is commercially used. ► The organic peroxides (TATP, DADP, HMTD) are not as sensitive as often reported. - Abstract: The sensitivity to friction for a selection of primary explosives has been studied using a small BAM friction apparatus. The probit analysis was used for the construction of a sensitivity curve for each primary explosive tested. Two groups of primary explosives were chosen for measurement (a) the most commonly used industrially produced primary explosives (e.g. lead azide, tetrazene, dinol, lead styphnate) and (b) the most produced improvised primary explosives (e.g. triacetone triperoxide, hexamethylenetriperoxide diamine, mercury fulminate, acetylides of heavy metals). A knowledge of friction sensitivity is very important for determining manipulation safety for primary explosives. All the primary explosives tested were carefully characterised (synthesis procedure, shape and size of crystals). The sensitivity curves obtained represent a unique set of data, which cannot be found anywhere else in the available literature.

  8. Sensitivity to friction for primary explosives

    Energy Technology Data Exchange (ETDEWEB)

    Matyas, Robert, E-mail: robert.matyas@upce.cz [Institute of Energetic Materials, Faculty of Chemical Technology, University of Pardubice, Pardubice 532 10 (Czech Republic); Selesovsky, Jakub; Musil, Tomas [Institute of Energetic Materials, Faculty of Chemical Technology, University of Pardubice, Pardubice 532 10 (Czech Republic)

    2012-04-30

    Highlights: Black-Right-Pointing-Pointer The friction sensitivity of 14 samples of primary explosives was determined. Black-Right-Pointing-Pointer The same apparatus (small scale BAM) and the same method (probit analysis) was used. Black-Right-Pointing-Pointer The crystal shapes and sizes were documented with microscopy. Black-Right-Pointing-Pointer Almost all samples are less sensitive than lead azide, which is commercially used. Black-Right-Pointing-Pointer The organic peroxides (TATP, DADP, HMTD) are not as sensitive as often reported. - Abstract: The sensitivity to friction for a selection of primary explosives has been studied using a small BAM friction apparatus. The probit analysis was used for the construction of a sensitivity curve for each primary explosive tested. Two groups of primary explosives were chosen for measurement (a) the most commonly used industrially produced primary explosives (e.g. lead azide, tetrazene, dinol, lead styphnate) and (b) the most produced improvised primary explosives (e.g. triacetone triperoxide, hexamethylenetriperoxide diamine, mercury fulminate, acetylides of heavy metals). A knowledge of friction sensitivity is very important for determining manipulation safety for primary explosives. All the primary explosives tested were carefully characterised (synthesis procedure, shape and size of crystals). The sensitivity curves obtained represent a unique set of data, which cannot be found anywhere else in the available literature.

  9. 77 FR 55108 - Explosive Siting Requirements

    Science.gov (United States)

    2012-09-07

    ... energy, or a chemical explosion requiring a chemical reaction. Furthermore, an accident may happen... for energetic liquids. \\4\\ Crowl, D.A., Understanding Explosions, AIAA Center for Chemical Process... chemical hazards of energetic liquids used at commercial launch sites. Finally, a site map must now be at a...

  10. Energy and impacts of pressure vessel explosions

    International Nuclear Information System (INIS)

    Kurttila, H.

    1999-01-01

    In this paper the explosion energy is considered to be same as the energy of pressure vessel discharge. This is the maximum energy which can be obtained from the process. The energy can be used or it can cause the violence of an explosion accident. (orig.)

  11. Environmental control for nuclear explosives

    Energy Technology Data Exchange (ETDEWEB)

    Lundberg, A W; Wells, W H [Lawrence Radiation Laboratory, University of California, Livermore, CA (United States)

    1970-05-15

    Peaceful applications introduce some new environmental considerations into the design of nuclear explosives. Much of the experience gained in weapon work can be applied, but the requirement of survival in a very deep hole is not found in any military system. We will briefly mention the overall environment and make a few comparisons with some general characteristics of the weapon environment. The major portion of this paper is devoted to the special problems of pressure and temperature found in the emplacement environment. Potential users should know where we stand with regard to survival in hostile environments in terms of feasibility and possible effects on field operations. In all applications there are several things competing for the available diameter. Given that explosives can be made to work over a range of diameters and that necessary environmental control is feasible, all further discussions can be related to the cost of providing a hole big enough to accomplish the task. The items competing for diameter are: 1) bare nuclear assembly 2) insulation and cooling system if needed 3) pressure canister 4) shielding material 5) emplacement clearance All of these must be considered with the cost of the hole in optimizing an overall design. Conditions in a particular location will affect the shielding requirements and the emplacement clearance. The nuclear assembly can vary in size, but the long development time requires that decisions be made quite early, perhaps in ignorance of the economic details of a particular application. The pressure canister is a relatively straightforward design problem that can be resolved by giving appropriate consideration to all of the design requirements. In particular for 20,000 psi pressure in the emplacement hole, a canister of heat-treated alloy steel having a yield strength of 200,000 psi and a wall thickness which is about .07 times the outside diameter is adequate and straight- forward to fabricate. The insulation and cooling

  12. Single-photon Coulomb explosion of methanol using broad bandwidth ultrafast EUV pulses.

    Science.gov (United States)

    Luzon, Itamar; Jagtap, Krishna; Livshits, Ester; Lioubashevski, Oleg; Baer, Roi; Strasser, Daniel

    2017-05-31

    Single-photon Coulomb explosion of methanol is instigated using the broad bandwidth pulse achieved through high-order harmonics generation. Using 3D coincidence fragment imaging of one molecule at a time, the kinetic energy release (KER) and angular distributions of the products are measured in different Coulomb explosion (CE) channels. Two-body CE channels breaking either the C-O or the C-H bonds are described as well as a proton migration channel forming H 2 O + , which is shown to exhibit higher KER. The results are compared to intense-field Coulomb explosion measurements in the literature. The interpretation of broad bandwidth single-photon CE data is discussed and supported by ab initio calculations of the predominant C-O bond breaking CE channel. We discuss the importance of these findings for achieving time resolved imaging of ultrafast dynamics.

  13. Steam explosions in sodium cooled breeder reactors

    International Nuclear Information System (INIS)

    Lundell, B.

    1982-01-01

    Steam explosion is considered a physical process which transport heat from molten fuel to liquid coolant so fast that the coolant starts boiling in an explosion-like manner. The arising pressure waves transform part of the thermal energy to mechanical energy. This can stress the reactor tank and threaten its hightness. The course of the explosion has not been theoretical explained. Experimental results indicate that the probability of steam explosions in a breeder reactor is small. The efficiency of the transformation of the heat of fusion into mechanical energy in substantially lower than the theoretical maximum value. The mechanical stress from the steam explosion on the reactor tank does not seem to jeopardize its tightness. (G.B.)

  14. Explosives remain preferred methods for platform abandonment

    International Nuclear Information System (INIS)

    Pulsipher, A.; Daniel, W. IV; Kiesler, J.E.; Mackey, V. III

    1996-01-01

    Economics and safety concerns indicate that methods involving explosives remain the most practical and cost-effective means for abandoning oil and gas structures in the Gulf of Mexico. A decade has passed since 51 dead sea turtles, many endangered Kemp's Ridleys, washed ashore on the Texas coast shortly after explosives helped remove several offshore platforms. Although no relationship between the explosions and the dead turtles was ever established, in response to widespread public concern, the US Minerals Management Service (MMS) and National Marine Fisheries Service (NMFS) implemented regulations limiting the size and timing of explosive charges. Also, more importantly, they required that operators pay for observers to survey waters surrounding platforms scheduled for removal for 48 hr before any detonations. If observers spot sea turtles or marine mammals within the danger zone, the platform abandonment is delayed until the turtles leave or are removed. However, concern about the effects of explosives on marine life remains

  15. Hydrodynamics of Explosion Experiments and Models

    CERN Document Server

    Kedrinskii, Valery K

    2005-01-01

    Hydronamics of Explosion presents the research results for the problems of underwater explosions and contains a detailed analysis of the structure and the parameters of the wave fields generated by explosions of cord and spiral charges, a description of the formation mechanisms for a wide range of cumulative flows at underwater explosions near the free surface, and the relevant mathematical models. Shock-wave transformation in bubbly liquids, shock-wave amplification due to collision and focusing, and the formation of bubble detonation waves in reactive bubbly liquids are studied in detail. Particular emphasis is placed on the investigation of wave processes in cavitating liquids, which incorporates the concepts of the strength of real liquids containing natural microinhomogeneities, the relaxation of tensile stress, and the cavitation fracture of a liquid as the inversion of its two-phase state under impulsive (explosive) loading. The problems are classed among essentially nonlinear processes that occur unde...

  16. Gas induced fire and explosion frequencies

    International Nuclear Information System (INIS)

    Coutts, D.A.

    1997-01-01

    The use and handling of flammable gases poses a fire and explosion hazard to many DOE nuclear facilities. This hazard is not unique to DOE facilities. Each year over 2,900 non-residential structural fires occur in the U.S. where a gas is the first item ignited. Details from these events are collected by the National Fire Incident Reporting System (NFIRS) through an extensive reporting network. This extensive data set (800,000 fires in non-residential structures over a 5-year period) is an underutilized resource within the DOE community. Explosions in nuclear facilities can have very severe consequences. The explosion can both damage the facility containment and provide a mechanism for significant radiological dispersion. In addition, an explosion can have significant worker safety implications. Because of this a quantitative frequency estimate for explosions in an SRS laboratory facility has been prepared using the NFIRS data. 6 refs., 1 tab

  17. Self-consistent field theory of polymer-ionic molecule complexation.

    Science.gov (United States)

    Nakamura, Issei; Shi, An-Chang

    2010-05-21

    A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C(i) ((a))(kDelta)(=0 or 1), whose average determines the number of adsorbed molecules, n(BI). Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for n(BI) are obtained, depending on the equilibrium constant of single-ion binding. Spinodal lines calculated from the mean-field free energy exhibit closed-loop regions where the homogeneous phase becomes unstable. This phase instability is driven by the excluded-volume interaction due to the single occupancy of ion-binding sites on the polymers. Moreover, sol-gel transitions are examined using a critical degree of conversion. A gel phase is induced when the concentration of adsorbates is increased. At a higher concentration of the adsorbates, however, a re-entrance from a gel phase into a sol phase arises from the correlation between unoccupied and occupied ion-binding sites. The theory is applied to a model system, poly(vinyl alcohol) and borate ion in aqueous solution with sodium chloride. Good agreement between theory and experiment is obtained.

  18. Review of Soviet studies related to peaceful underground nuclear explosions

    International Nuclear Information System (INIS)

    Lin, W.

    1978-01-01

    Theoretical and empirical studies of contained and crater-forming underground nuclear explosions by USSR investigators are reviewed and summarized. Published data on U.S., USSR, and French cavity-forming nuclear explosions are compared with those predicted by the formula. Empirical studies on U.S. and USSR cratering explosions, both high explosions, both high explosive and nuclear are summarized. The parameters governing an excavation explosion are reviewed

  19. Mercury adsorption properties of sulfur-impregnated adsorbents

    Science.gov (United States)

    Hsi, N.-C.; Rood, M.J.; Rostam-Abadi, M.; Chen, S.; Chang, R.

    2002-01-01

    Carbonaceous and noncarbonaceous adsorbents were impregnated with elemental sulfur to evaluate the chemical and physical properties of the adsorbents and their equilibrium mercury adsorption capacities. Simulated coal combustion flue gas conditions were used to determine the equilibrium adsorption capacities for Hg0 and HgCl2 gases to better understand how to remove mercury from gas streams generated by coal-fired utility power plants. Sulfur was deposited onto the adsorbents by monolayer surface deposition or volume pore filling. Sulfur impregnation increased the total sulfur content and decreased the total and micropore surface areas and pore volumes for all of the adsorbents tested. Adsorbents with sufficient amounts of active adsorption sites and sufficient microporous structure had mercury adsorption capacities up to 4,509 ??g Hg/g adsorbent. Elemental sulfur, organic sulfur, and sulfate were formed on the adsorbents during sulfur impregnation. Correlations were established with R2>0.92 between the equilibrium Hg0/HgCl2 adsorption capacities and the mass concentrations of elemental and organic sulfur. This result indicates that elemental and organic sulfur are important active adsorption sites for Hg0 and HgCl2.

  20. Explosion safety in industrial electrostatics

    Science.gov (United States)

    Szabó, S. V.; Kiss, I.; Berta, I.

    2011-01-01

    Complicated industrial systems are often endangered by electrostatic hazards, both from atmospheric (lightning phenomenon, primary and secondary lightning protection) and industrial (technological problems caused by static charging and fire and explosion hazards.) According to the classical approach protective methods have to be used in order to remove electrostatic charging and to avoid damages, however no attempt to compute the risk before and after applying the protective method is made, relying instead on well-educated and practiced expertise. The Budapest School of Electrostatics - in close cooperation with industrial partners - develops new suitable solutions for probability based decision support (Static Control Up-to-date Technology, SCOUT) using soft computing methods. This new approach can be used to assess and audit existing systems and - using the predictive power of the models - to design and plan activities in industrial electrostatics.

  1. Nuclear explosives testing readiness evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Valk, T.C.

    1993-09-01

    This readiness evaluation considers hole selection and characterization, verification, containment issues, nuclear explosive safety studies, test authorities, event operations planning, canister-rack preparation, site preparation, diagnostic equipment setup, device assembly facilities and processes, device delivery and insertion, emplacement, stemming, control room activities, readiness briefing, arming and firing, test execution, emergency response and reentry, and post event analysis to include device diagnostics, nuclear chemistry, and containment. This survey concludes that the LLNL program and its supporting contractors could execute an event within six months of notification, and a second event within the following six months, given the NET group`s evaluation and the following three restraints: (1) FY94 (and subsequent year) funding is essentially constant with FY93, (2) Preliminary work for the initial event is completed to the historical sic months status, (3) Critical personnel, currently working in dual use technologies, would be recallable as needed.

  2. Nuclear explosion and internal contamination

    International Nuclear Information System (INIS)

    Aeberhardt, A.

    1956-01-01

    By the study of the conditions of internal contamination due to the radioactive mixture produced by a nuclear explosion, the parts played by the relative weights of the different elements and the mode of expression of the doses are considered. Only the knowledge of the weight composition of the contamination mixture and of its evolution as a function of time can provide the required basis for the study of its metabolism in the organism. The curves which give the composition of the fission product mixture - in number of nuclei - - as a function of time - have been established. These curves are applied to some practical examples, particularly relative to the nature of contamination, radiotoxicity of some elements and assessment of hazards. (author) [fr

  3. Rock strength under explosive loading

    International Nuclear Information System (INIS)

    Rimer, N.; Proffer, W.

    1993-01-01

    This presentation emphasizes the importance of a detailed description of the nonlinear deviatoric (strength) response of the surrounding rock in the numerical simulation of underground nuclear explosion phenomenology to the late times needed for test ban monitoring applications. We will show how numerical simulations which match ground motion measurements in volcanic tuffs and in granite use the strength values obtained from laboratory measurements on small core samples of these rocks but also require much lower strength values after the ground motion has interacted with the rock. The underlying physical mechanisms for the implied strength reduction are not yet well understood, and in fact may depend on the particular rock type. However, constitutive models for shock damage and/or effective stress have been used successfully at S-Cubed in both the Geophysics Program (primarily for DARPA) and the Containment Support Program (for DNA) to simulate late time ground motions measured at NTS in many different rock types

  4. ICPP custom dissolver explosion recovery

    International Nuclear Information System (INIS)

    Demmer, R.; Hawk, R.

    1992-01-01

    This paper discusses the recovery from the February 9, 1991, small scale explosion in a custom processing dissolver at the Idaho Chemical Processing Plant (ICPP) a Department of Energy facility at the Idaho National Engineering Laboratory. The custom processing facility is a limited production area designed to recover unirradiated uranium fuel. A small amount of the nuclear material received and stored at the ICPP is unique and incompatible with the major head end dissolution processes. Custom processing is a small scale dissolution facility for processing these materials in an economical fashion in the CPP-627 hot chemistry laboratory. Two glass dissolvers were contained in a large walk in hood area. Utilities for dissolution and connections to the major ICPP uranium separation facility were provided. The fuel processing operations during this campaign involved dissolving uranium metal, uranium oxides, and uranium/fissium alloy in nitric acid

  5. Surface energy of explosive nanoparticles

    Science.gov (United States)

    Pineau, Nicolas; Bidault, Xavier; Soulard, Laurent

    2017-06-01

    Recent experimental studies show that nanostructuration has a substantial impact on the detonation of high explosives: a nanostructured one leads to smaller nanodiamonds than a microstructured one. Whether it comes from a higher surface energy or from porosity, the origin of these different behaviors must be investigated. The surface energy of TATB nanoparticles with a radius from 2 nm upto 60 nm has been determined by means of ReaxFF-based simulations. Then, using the Rankine-Hugoniot relations and the equation of states of the bulk material, the contribution of this excess energy to the heating of a shock-compressed nanostructured (and porous) material is evaluated and compared to the thermal effect due to its porosity collapse. A maximum temperature increase of 50 K is found for 4-nm nanoparticles, which remains negligible when compared to the few hundred degrees induced by the compaction work.

  6. A theoretical study of adsorbate-adsorbate interactions on Ru(0001)

    DEFF Research Database (Denmark)

    Mortensen, Jens Jørgen; Hammer, Bjørk; Nørskov, Jens Kehlet

    1998-01-01

    the barrier for dissociation, whereas S will increase it. The interaction with alkali atoms is mainly of an electrostatic nature. The poisoning by S is due to two kinds of repulsive interactions: a Pauli repulsion and a reduced covalent bond strength between the adsorbate and the surface d-electrons. In order...... to investigate these different interactions in more detail, we look at three different species (N atoms, and terminally bonded N(2) and CO) and use them as probes to study their interaction with two modifier atoms (Na and S). The two modifier atoms have very different properties, which allows us to decouple...

  7. Contrasting bonding behavior of thiol molecules on carbon fullerene structures

    International Nuclear Information System (INIS)

    Mixteco-Sanchez, J.C.; Guirado-Lopez, R.A.

    2003-01-01

    We have performed semiempirical as well as ab initio density-functional theory (DFT) calculations at T=0 to analyze the equilibrium configurations and electronic properties of spheroidal C 60 as well as of cylindrical armchair (5,5) and (8,8) fullerenes passivated with SCH 3 and S(CH 2 ) 2 CH 3 thiols. Our structural results reveal that the lowest-energy configurations of the adsorbates strongly depend on their chain length and on the structure of the underlying substrate. In the low-coverage regime, both SCH 3 and S(CH 2 ) 2 CH 3 molecules prefer to organize into a molecular cluster on one side of the C 60 surface, providing thus a less protective organic coating for the carbon structure. However, with increasing the number of adsorbed thiols, a transition to a more uniform distribution is obtained, which actually takes place for six and eight adsorbed molecules when using S(CH 2 ) 2 CH 3 and SCH 3 chains, respectively. In contrast, for the tubelike arrangements at the low-coverage regime, a quasi-one-dimensional zigzag organization of the adsorbates along the tubes is always preferred. The sulfur-fullerene bond is considerably strong and is at the origin of outward and lateral displacements of the carbon atoms, leading to the stabilization of three-membered rings on the surface (spheroidal structures) as well as to sizable nonuniform radial deformations (cylindrical configurations). The electronic spectrum of our thiol-passivated fullerenes shows strong variations in the energy difference between the highest occupied and lowest unoccupied molecular orbitals as a function of the number and distribution of adsorbed thiols, opening thus the possibility to manipulate the transport properties of these compounds by means of selective adsorption mechanisms

  8. Scanning tunneling spectroscopy of Co adsorbates on superconducting Pb nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Decker, Regis; Caminale, Michael; Oka, Hirofumi; Stepniak, Agnieszka; Leon Vanegas, Augusto A.; Sander, Dirk; Kirschner, Juergen [Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, 06120 Halle (Germany)

    2015-07-01

    Superconductivity in low-dimensional structures has become an active research area. In order to understand the superconducting pairing, long-standing work has been devoted to the pair breaking effect, where magnetic impurities break Cooper pair singlets. We performed scanning tunneling spectroscopy at low temperature on Co adsorbates on superconducting Pb nanoislands. On the Co adsorbates, we observe spectral features in the superconductor's energy gap, which we attribute to magnetic impurity induced bound states, a hallmark of the pair breaking effect. We discuss the response of the superconducting islands to the presence of Co adsorbates.

  9. Formation of Ultracold Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Cote, Robin [Univ. of Connecticut, Storrs, CT (United States)

    2016-01-28

    Advances in our ability to slow down and cool atoms and molecules to ultracold temperatures have paved the way to a revolution in basic research on molecules. Ultracold molecules are sensitive of very weak interactions, even when separated by large distances, which allow studies of the effect of those interactions on the behavior of molecules. In this program, we have explored ways to form ultracold molecules starting from pairs of atoms that have already reached the ultracold regime. We devised methods that enhance the efficiency of ultracold molecule production, for example by tuning external magnetic fields and using appropriate laser excitations. We also investigates the properties of those ultracold molecules, especially their de-excitation into stable molecules. We studied the possibility of creating new classes of ultra-long range molecules, named macrodimers, thousand times more extended than regular molecules. Again, such objects are possible because ultra low temperatures prevent their breakup by collision. Finally, we carried out calculations on how chemical reactions are affected and modified at ultracold temperatures. Normally, reactions become less effective as the temperature decreases, but at ultracold temperatures, they can become very effective. We studied this counter-intuitive behavior for benchmark chemical reactions involving molecular hydrogen.

  10. EVENT, Explosive Transients in Flow Networks

    International Nuclear Information System (INIS)

    Andrae, R.W.; Tang, P.K.; Bolstad, J.W.; Gregory, W.S.

    1985-01-01

    1 - Description of problem or function: A major concern of the chemical, nuclear, and mining industries is the occurrence of an explosion in one part of a facility and subsequent transmission of explosive effects through the ventilation system. An explosive event can cause performance degradation of the ventilation system or even structural failures. A more serious consequence is the release of hazardous materials to the environment if vital protective devices such as air filters, are damaged. EVENT was developed to investigate the effects of explosive transients through fluid-flow networks. Using the principles of fluid mechanics and thermodynamics, governing equations for the conservation of mass, energy, and momentum are formulated. These equations are applied to the complete network subdivided into two general components: nodes and branches. The nodes represent boundaries and internal junctions where the conservation of mass and energy applies. The branches can be ducts, valves, blowers, or filters. Since in EVENT the effect of the explosion, not the characteristics of the explosion itself, is of interest, the transient is simulated in the simplest possible way. A rapid addition of mass and energy to the system at certain locations is used. This representation is adequate for all of the network except the region where the explosion actually occurs. EVENT84 is a modification of EVENT which includes a new explosion chamber model subroutine based on the NOL BLAST program developed at the Naval Ordnance Laboratory, Silver Spring, Maryland. This subroutine calculates the confined explosion near-field parameters and supplies the time functions of energy and mass injection. Solid-phase or TNT-equivalent explosions (which simulate 'point source' explosions in nuclear facilities) as well as explosions in gas-air mixtures can be simulated. The four types of explosions EVENT84 simulates are TNT, hydrogen in air, acetylene in air, and tributyl phosphate (TBP or 'red oil

  11. Numerical modelling of the effect of using multi-explosives on the explosive forming of steel cones

    OpenAIRE

    De Vuyst, T; Kong, K; Djordjevic, N; Vignjevic, R; Campbell, JC; Hughes, K

    2016-01-01

    Modelling and analysis of underwater explosive forming process by using FEM and SPH formulation is presented in this work. The explosive forming of a steel cone is studied. The model setup includes a low carbon steel plate, plate holder, forming die as well as water and C4 explosive. The effect of multiple explosives on rate of targets deformation has been studied. Four different multi-explosives models have been developed and compared to the single explosive model. The formability of the ste...

  12. Ultrafast electron dynamics at alkali/ice structures adsorbed on a metal surface

    International Nuclear Information System (INIS)

    Meyer, Michael

    2011-01-01

    The goal of this work is to study the interaction between excess electrons in water ice structures adsorbed on metal surfaces and other charged or neutral species, like alkali ions, or chemically reactive molecules, like chlorofluorocarbons (CFC), respectively. The excess electrons in the ice can interact with the ions directly or indirectly via the hydrogen bonded water molecules. In both cases the presence of the alkali influences the population, localization, and lifetime of electronic states of excess electrons in the ice adlayer. These properties are of great relevance when considering the highly reactive character of the excess electrons, which can mediate chemical reactions by dissociative electron attachment (DEA). The influence of alkali adsorption on electron solvation and transfer dynamics in ice structures is investigated for two types of adsorption configurations using femtosecond time-resolved two-photon photoelectron spectroscopy. In the first system alkali atoms are coadsorbed on top of a wetting amorphous ice film adsorbed on Cu(111). At temperatures between 60 and 100 K alkali adsorption leads to the formation of positively charged alkali ions at the ice/vacuum interface. The interaction between the alkali ions at the surface and the dipole moments of the surrounding water molecules results in a reorientation of the water molecules. As a consequence new electron trapping sites, i.e. at local potential minima, are formed. Photoinjection of excess electrons into these alkali-ion covered amorphous ice layers, results in the trapping of a solvated electron at an alkali-ion/water complex. In contrast to solvation in pure amorphous ice films, where the electrons are located in the bulk of the ice layer, solvated electrons at alkali-ion/water complexes are located at the ice/vacuum interface. They exhibit lifetimes of several picoseconds and show a fast energetic stabilization. With ongoing solvation, i.e. pump-probe time delay, the electron transfer is

  13. Adherence of platelets to in situ albumin-binding surfaces under flow conditions: role of surface-adsorbed albumin

    International Nuclear Information System (INIS)

    Guha Thakurta, Sanjukta; Miller, Robert; Subramanian, Anuradha

    2012-01-01

    Surfaces that preferentially bind human serum albumin (HSA) were generated by grafting albumin-binding linear peptide (LP1) onto silicon surfaces. The research aim was to evaluate the adsorption pattern of proteins and the adhesion of platelets from platelet-poor plasma and platelet-rich plasma, respectively, by albumin-binding surfaces under physiological shear rate (96 and 319 s −1 ) conditions. Bound proteins were quantified using enzyme-linked immunosorbent assays (ELISAs) and two-dimensional gel electrophoresis. A ratio of ∼1000:100:1 of adsorbed HSA, human immunoglobulin (HIgG) and human fibrinogen (HFib) was noted, respectively, on LP1-functionalized surfaces, and a ratio of ∼5:2:1 of the same was noted on control surfaces, as confirmed by ELISAs. The surface-adsorbed von Willebrand factor was undetectable by sensitive ELISAs. The amount of adhered platelets correlated with the ratio of adsorbed HSA/HFib. Platelet morphology was more rounded on LP1-functionalized surfaces when compared to control surfaces. The platelet adhesion response on albumin-binding surfaces can be explained by the reduction in the co-adsorption of other plasma proteins in a surface environment where there is an excess of albumin molecules, coupled with restrictions in the conformational transitions of other surface-adsorbed proteins into hemostatically active forms. (paper)

  14. Mechanism of formation of humus coatings on mineral surfaces 3. Composition of adsorbed organic acids from compost leachate on alumina by solid-state 13C NMR

    Science.gov (United States)

    Wershaw, R. L.; Llaguno, E.C.; Leenheer, J.A.

    1996-01-01

    The adsorption of compost leachate DOC on alumina is used as a model for elucidation of the mechanism of formation of natural organic coatings on hydrous metal oxide surfaces in soils and sediments. Compost leachate DOC is composed mainly of organic acid molecules. The solid-state 13C NMR spectra of these organic acids indicate that they are very similar in composition to aquatic humic substances. Changes in the solid-state 13C NMR spectra of compost leachate DOC fractions adsorbed on alumina indicate that the DOC molecules are most likely adsorbed on metal oxide surfaces through a combination of polar and hydrophobic interaction mechanisms. This combination of polar and hydrophobic mechanism leads to the formation of bilayer coatings of the leachate molecules on the oxide surfaces.

  15. 3D Oxidized Graphene Frameworks: An Efficient Adsorbent for Methylene Blue

    Science.gov (United States)

    Pandey, Abhishek; Deb, Madhurima; Tiwari, Shreya; Pawar, Pranav Bhagwan; Saxena, Sumit; Shukla, Shobha

    2018-04-01

    Extraordinary properties of graphene and its derivatives have found application in varied areas such as energy, electronics, optical devices and sensors, to name a few. Large surface area along with specialized functional groups make these materials attractive for removal of dye molecules in solution via adsorption. Industrial effluents contain large amounts of toxic chemicals resulting in pollution of water bodies, which pose environmental hazards in general. Here we report application of 3D oxidized graphene frameworks in the efficient removal of cationic dye molecules such as methylene blue via adsorption. Systematic parametric studies investigating the effect of the initial dye concentration, pH and contact time have been performed. Spectroscopic analysis of the filtrate suggests that tortuous paths in 3D oxidized graphene frameworks result in efficient removal of dye molecules due to enhanced interaction. The hydroxyl groups retained in these 3D oxidized graphene frameworks facilitate adsorption of the dye molecules while passing through the adsorbent. pH studies suggest that maximum removal efficiency for methylene blue was achieved at pH value of 9. The results suggest that these 3D oxidized graphene frameworks can be used for purification of large volumes of contaminated water from cationic dyes in waste water treatment plants.

  16. The status of molecules

    International Nuclear Information System (INIS)

    Barnes, T.; Oak Ridge National Lab., TN; Tennessee Univ., Knoxville, TN

    1994-06-01

    This report summarizes the experimental and theoretical status of hadronic molecules, which are weakly-bound states of two or more hadrons. We begin with a brief history of the subject and discuss a few good candidates, and then abstract some signatures for molecules which may be of interest in the classification of possible molecule states. Next we argue that a more general understanding of 2 → 2 hadron-hadron scattering amplitudes will be crucial for molecule searches, and discuss some of our recent work in this area. We conclude with a discussion of a few more recent molecule candidates (notably the f o (1710)) which are not well established as molecules but satisfy some of the expected signatures. (Author)

  17. Dynamics of CO 2 Adsorption on Amine Adsorbents. 2. Insights Into Adsorbent Design

    KAUST Repository

    Bollini, Praveen

    2012-11-21

    Packed bed breakthrough experiments are reported for commercial zeolite 13X and 3-aminopropyl-functionalized SBA-15 silica materials with three different amine loadings. Mass and heat transfer dynamics for all four materials are modeled successfully. Amine adsorbents with open pores are found to exhibit faster mass diffusion rates compared to zeolite 13X. When amine loading is increased by coupling aminopropyl groups, premature breakthrough combined with a long tail is observed. Contrary to conventional physisorbants, finite heat losses to the column wall do not explain the long breakthrough tail. A rate model that accounts for heterogeneity in diffusion was found to accurately capture the breakthrough shape of the high loading material. Batch uptake measurements support the hypothesis that slow diffusion through the polymer phase is what hampers adsorption kinetics in the high amine loading adsorbent. The results emphasize the importance of designing materials that are not overloaded with amine sites, as excessive amine loadings can lead to depressed adsorption kinetics and premature column breakthrough. © 2012 American Chemical Society.

  18. Explosions of Thorne-Żytkow objects

    Science.gov (United States)

    Moriya, Takashi J.

    2018-03-01

    We propose that massive Thorne-Żytkow objects can explode. A Thorne-Żytkow object is a theoretically predicted star that has a neutron core. When nuclear reactions supporting a massive Thorne-Żytkow object terminate, a strong accretion occurs towards the central neutron core. The accretion rate is large enough to sustain a super-Eddington accretion towards the neutron core. The neutron core may collapse to a black hole after a while. A strong large-scale outflow or a jet can be launched from the super-Eddington accretion disc and the collapsing Thorne-Żytkow object can be turned into an explosion. The ejecta have about 10 M⊙ but the explosion energy depends on when the accretion is suppressed. We presume that the explosion energy could be as low as ˜1047 erg and such a low-energy explosion could be observed like a failed supernova. The maximum possible explosion energy is ˜1052 erg and such a high-energy explosion could be observed as an energetic Type II supernova or a superluminous supernova. Explosions of Thorne-Żytkow objects may provide a new path to spread lithium and other heavy elements produced through the irp process such as molybdenum in the Universe.

  19. In-situ quartz crystal microgravimetric studies of molecular adsorbates containing thiol and hydroquinone moieties bound to Au(111) surfaces in aqueous electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Mo, Y.; Sukenik, C.; Sandifer, M. [Case Western Univ., Cleveland, OH (United States); Barriga, R.J.; Soriaga, M.P.; Scherson, D. [Texas A& M Univ., College Station, TX (United States)

    1995-12-01

    The microgravimetric properties of monolayers of 2, 5-dihydroxythiophenol, 2,5-dihydroxybenzyl mercaptan, and 2, 5-dihydroxy-4-methylbenzyl mercaptan adsorbed on Au(111) single crystal electrodes were examined by in situ quartz crystal microbalance techniques in aqueous perchloric acid electrolytes. The results obtained are consistent with the reversible loss of an average of about three waters per adsorbed molecule as the layers are oxidized and subsequently reduced. These observations provide evidence for discrete changes in the extent of bound water within the hydroquinone/quinone layer as the oxidation state of the monolayer is changed. 9 refs., 4 figs.

  20. Cold Rydberg molecules

    Science.gov (United States)

    Raithel, Georg; Zhao, Jianming

    2017-04-01

    Cold atomic systems have opened new frontiers at the interface of atomic and molecular physics. These include research on novel types of Rydberg molecules. Three types of molecules will be reviewed. Long-range, homonuclear Rydberg molecules, first predicted in [1] and observed in [2], are formed via low-energy electron scattering of the Rydberg electron from a ground-state atom within the Rydberg atom's volume. The binding mostly arises from S- and P-wave triplet scattering. We use a Fermi model that includes S-wave and P-wave singlet and triplet scattering, the fine structure coupling of the Rydberg atom and the hyperfine structure coupling of the 5S1/2 atom (in rubidium [3]). The hyperfine structure gives rise to mixed singlet-triplet potentials for both low-L and high-L Rydberg molecules [3]. A classification into Hund's cases [3, 4, 5] will be discussed. The talk further includes results on adiabatic potentials and adiabatic states of Rydberg-Rydberg molecules in Rb and Cs. These molecules, which have even larger bonding length than Rydberg-ground molecules, are formed via electrostatic multipole interactions. The leading interaction term of neutral Rydberg-Rydberg molecules is between two dipoles, while for ionic Rydberg molecules it is between a dipole and a monopole. NSF (PHY-1506093), NNSF of China (61475123).

  1. Measurement of the average mass of proteins adsorbed to a nanoparticle by using a suspended microchannel resonator.

    Science.gov (United States)

    Nejadnik, M Reza; Jiskoot, Wim

    2015-02-01

    We assessed the potential of a suspended microchannel resonator (SMR) to measure the adsorption of proteins to nanoparticles. Standard polystyrene beads suspended in buffer were weighed by a SMR system. Particle suspensions were mixed with solutions of bovine serum albumin (BSA) or monoclonal human antibody (IgG), incubated at room temperature for 3 h and weighed again with SMR. The difference in buoyant mass of the bare and protein-coated polystyrene beads was calculated into real mass of adsorbed proteins. The average surface area occupied per protein molecule was calculated, assuming a monolayer of adsorbed protein. In parallel, dynamic light scattering (DLS), nanoparticle tracking analysis (NTA), and zeta potential measurements were performed. SMR revealed a statistically significant increase in the mass of beads because of adsorption of proteins (for BSA and IgG), whereas DLS and NTA did not show a difference between the size of bare and protein-coated beads. The change in the zeta potential of the beads was also measurable. The surface area occupied per protein molecule was in line with their known size. Presented results show that SMR can be used to measure the mass of adsorbed protein to nanoparticles with a high precision in the presence of free protein. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  2. Enhanced vanillin production from ferulic acid using adsorbent resin.

    Science.gov (United States)

    Hua, Dongliang; Ma, Cuiqing; Song, Lifu; Lin, Shan; Zhang, Zhaobin; Deng, Zixin; Xu, Ping

    2007-03-01

    High vanillin productivity was achieved in the batch biotransformation of ferulic acid by Streptomyces sp. strain V-1. Due to the toxicity of vanillin and the product inhibition, fed-batch biotransformation with high concentration of ferulic acid was unsuccessful. To solve this problem and improve the vanillin yield, a biotransformation strategy using adsorbent resin was investigated. Several macroporous adsorbent resins were chosen to adsorb vanillin in situ during the bioconversion. Resin DM11 was found to be the best, which adsorbed the most vanillin and the least ferulic acid. When 8% resin DM11 (wet w/v) was added to the biotransformation system, 45 g l(-1) ferulic acid could be added continually and 19.2 g l(-1) vanillin was obtained within 55 h, which was the highest vanillin yield by bioconversion until now. This yield was remarkable for exceeding the crystallization concentration of vanillin and therefore had far-reaching consequence in its downstream processing.

  3. Production of Flocculants, Adsorbents, and Dispersants from Lignin.

    Science.gov (United States)

    Chen, Jiachuan; Eraghi Kazzaz, Armin; AlipoorMazandarani, Niloofar; Hosseinpour Feizi, Zahra; Fatehi, Pedram

    2018-04-10

    Currently, lignin is mainly produced in pulping processes, but it is considered as an under-utilized chemical since it is being mainly used as a fuel source. Lignin contains many hydroxyl groups that can participate in chemical reactions to produce value-added products. Flocculants, adsorbents, and dispersants have a wide range of applications in industry, but they are mainly oil-based chemicals and expensive. This paper reviews the pathways to produce water soluble lignin-based flocculants, adsorbents, and dispersants. It provides information on the recent progress in the possible use of these lignin-based flocculants, adsorbents, and dispersants. It also critically discusses the advantages and disadvantages of various approaches to produce such products. The challenges present in the production of lignin-based flocculants, adsorbents, and dispersants and possible scenarios to overcome these challenges for commercial use of these products in industry are discussed.

  4. Order-disorder transitions in adsorbed systems on magnetic surfaces

    International Nuclear Information System (INIS)

    Aguilera-Granja, F.; Moran-Lopez, J.L.; Instituto Politecnico Nacional, Mexico City. Centro de Investigacion y de Estudios Avanzados); Falicov, L.M.

    1984-01-01

    It is investigated the effect of adsorbed atoms on the magnetic properties of ferromagnets. The Ising model is employed considering nearest neigbours with antiferromagnetic coupling between atoms. (M.W.O.) [pt

  5. Production of Flocculants, Adsorbents, and Dispersants from Lignin

    Directory of Open Access Journals (Sweden)

    Jiachuan Chen

    2018-04-01

    Full Text Available Currently, lignin is mainly produced in pulping processes, but it is considered as an under-utilized chemical since it is being mainly used as a fuel source. Lignin contains many hydroxyl groups that can participate in chemical reactions to produce value-added products. Flocculants, adsorbents, and dispersants have a wide range of applications in industry, but they are mainly oil-based chemicals and expensive. This paper reviews the pathways to produce water soluble lignin-based flocculants, adsorbents, and dispersants. It provides information on the recent progress in the possible use of these lignin-based flocculants, adsorbents, and dispersants. It also critically discusses the advantages and disadvantages of various approaches to produce such products. The challenges present in the production of lignin-based flocculants, adsorbents, and dispersants and possible scenarios to overcome these challenges for commercial use of these products in industry are discussed.

  6. Comparative analysis of the efficiencies of two low cost adsorbents ...

    African Journals Online (AJOL)

    ISHIOMA

    tanning, metallurgical operation and manufacturing have led to the release ... pulmonary fibrosis and inhibit many enzymatic functions. (Liphadzi ... sector is a low cost adsorbent for heavy metal but has ... as its economic value is less. The aim ...

  7. Low Pressure Adsorbent for Recovery & Storage Vented Hydrogen, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A high performance fullerene-based adsorbent is proposed for recovery and storage hydrogen and separating helium via pressure-swing-adsorption (PSA) process....

  8. Selectivity of β-Sitosterol Imprinted Polymers as Adsorbent

    Science.gov (United States)

    Fauziah, St.; Hariani Soekamto, Nunuk; Taba, Paulina; Bachri Amran, Muh

    2018-03-01

    Molecularly Imprinted Polymers (MIPs) are smart materials that have been used as adsorbents in separation processes of compounds because they have a memorial effect to a certain compound. In this research, MIP synthesized was used as adsorbent for β-sitosterol. The objective of the research was to know the selectivity of MIP in adsorbing β-sitosterol. The concentrations of β-sitosterol after adsorption and desorption were analyzed by a UV-Vis spectrophotometer and the selectivity test was analyzed by HPLC. Result showed that the MIP had high adsorption ability ( qe ). The recovery of β-sitosterol from MIP for the adsorption-desorption process was 68.48%. The MIP was very selective to β-sitosterol compared to cholesterol because it can adsorb β-sitosterol as many as 100%, whereas the adsorption of cholesterol was only 30.27 %.

  9. TESTING OF CARBONACEOUS ADSORBENTS FOR REMOVAL OF POLLUTANTS FROM WATER

    Directory of Open Access Journals (Sweden)

    RAISA NASTAS

    2012-03-01

    Full Text Available Testing of carbonaceous adsorbents for removal of pollutants from water. Relevant direction for improving of quality of potable water is application of active carbons at various stages of water treatments. This work includes complex research dealing with testing of a broad spectrum of carbonaceous adsorbents for removal of hydrogen sulfide and nitrite ions from water. The role of the surface functional groups of carbonaceous adsorbents, their acid-basic properties, and the influence of the type of impregnated heteroatom (N, O, or metals (Fe, Cu, Ni, on removal of hydrogen sulfide species and nitrite ions have been researched. The efficiency of the catalyst obtained from peach stones by impregnation with Cu2+ ions of oxidized active carbon was established, being recommended for practical purposes to remove the hydrogen sulfide species from the sulfurous ground waters. Comparative analysis of carbonaceous adsorbents reveals the importance of surface chemistry for oxidation of nitrite ions.

  10. Characterization of novel adsorbents for radiostrontium reduction in foods

    International Nuclear Information System (INIS)

    Puziy, A.M.; Bengtsson, G.B.; Hansen, H.S.

    1999-01-01

    Distribution coefficients, pH dependence, isotherms, kinetics and breakthrough curves of Sr binding have been measured on several types of adsorbents (carbons modified with titanium silicate, crystalline titanium silicate, mixed titanium-manganese oxide, and synthetic zeolites A4 and P) from different water solutions. It is concluded that acid-base properties of the adsorbent is very important for Sr binding. Titanium silicate based adsorbents had reduced chemical stability in an artificial food fluid below pH 2, the mixed titanium manganese oxide below pH 6, zeolite A4 below pH 5 and zeolite P below pH 7. Consideration is given to the feasibility of the adsorbents for food decontamination. (author)

  11. Adsorption of β-galactosidase on silica and aluminosilicate adsorbents

    Science.gov (United States)

    Atyaksheva, L. F.; Dobryakova, I. V.; Pilipenko, O. S.

    2015-03-01

    It is shown that adsorption of β-galactosidase of Aspergillus oryzae fungi on mesoporous and biporous silica and aluminosilicate adsorbents and the rate of the process grow along with the diameter of the pores of the adsorbent. It is found that the shape of the adsorption isotherms changes as well, depending on the texture of the adsorbent: the Michaelis constant rises from 0.3 mM for the enzyme in solution to 0.4-0.5 mM for the enzyme on a surface in the hydrolysis of o-nitrophenyl-β-D-galactopyranoside. It is concluded that β-galactosidase displays its maximum activity on the surface of biporous adsorbents.

  12. Adsorption of uranium on adsorbents produced from used tires

    International Nuclear Information System (INIS)

    Mahramanlioglu, M.

    2003-01-01

    Potential use of adsorbents produced from used tires for the removal of uranium from aqueous solutions is investigated. Two different adsorbents were used including char and activated carbon produced from used tires. The surface area was larger on activated carbon. Adsorption experiments were carried out as a function of time, adsorbent concentration, pH and initial concentration of uranium. The adsorption kinetics was found to follow the Lagergren equation. The rate constants of intraparticle diffusion and mass transfer coefficients were calculated. It was shown that the equilibrium data could be fitted by the Langmuir and Freundlich equations. The adsorption of uranium in the presence of different cations were also studied and the results were correlated with the ionic potential of the cations. It was demonstrated that the activated carbon produced from used tires can be considered as an adsorbent that has a commercial potential for uranium removal. (author)

  13. First-principles study of SF_6 decomposed gas adsorbed on Au-decorated graphene

    International Nuclear Information System (INIS)

    Zhang, Xiaoxing; Yu, Lei; Gui, Yingang; Hu, Weihua

    2016-01-01

    Graphical abstract: - Highlights: • We theoretically investigated the decomposed gaseous components of sulfur hexafluoride (SF_6), namely, H_2S, SO_2, SOF_2, and SO_2F_2, adsorbed on pristine and Au-embedded graphene based on DFT-D, in which the van der Waals effect is considered. • H_2S, SO_2, SOF_2, and SO_2F_2 are chemisorption on Au-doped graphene, appreciably stronger than physisorption on pristine graphene in which the van der Waals dominates. • Only H_2S exhibits n-type doping to Au-graphene, whereas the rest gases exhibit p-type doping. The n-type and p-type sensing behaviors that Au-doped graphene displays to different gases play a crucial role in selective sensing application. • Magnetic moments fluctuate substantially in the original Au-graphene when H_2S and SO_2 are adsorbed. While the adsorption effects of SOF_2 and SO_2F_2 generate magnetism quenching. The different changes of magnetic moments in every adsorption system provide another approach to selective detection. • The charge transfer mechanism is deeply discussed in this paper. - Abstract: We theoretically investigated the decomposed gaseous components of sulfur hexafluoride (SF_6), namely, H_2S, SO_2, SOF_2, and SO_2F_2, adsorbed on pristine and Au-embedded graphene based on the revised Perdew–Burke–Ernzerhof calculation, which empirically includes a dispersion correction (DFT-D) for van der Waals interaction with standard generalized gradient approximation. Pristine graphene exhibits weak adsorption and absence of charge transfer, which indicates barely satisfactory sensing for decomposed components. The Au atom introduces magnetism to the pristine graphene after metal-embedded decoration as well as enhances conductivity. All four molecules induce certain hybridization between the molecules and Au-graphene, which results in chemical interactions. SOF_2 and SO_2F_2 exhibit a strong chemisorption interaction with Au-graphene, while H_2S and SO_2 exhibit quasi-molecular binding

  14. Heterogeneous Reactions of Limonene on Mineral Dust: Impacts of Adsorbed Water and Nitric Acid.

    Science.gov (United States)

    Lederer, Madeline R; Staniec, Allison R; Coates Fuentes, Zoe L; Van Ry, Daryl A; Hinrichs, Ryan Z

    2016-12-08

    Biogenic volatile organic compounds (BVOCs), including the monoterpene limonene, are a major source of secondary organic aerosol (SOA). While gas-phase oxidation initiates the dominant pathway for BVOC conversion to SOA, recent studies have demonstrated that biogenic hydrocarbons can also directly react with acidic droplets. To investigate whether mineral dust may facilitate similar reactive uptake of biogenic hydrocarbons, we studied the heterogeneous reaction of limonene with mineral substrates using condensed-phase infrared spectroscopy and identified the formation of irreversibly adsorbed organic products. For kaolinite, Arizona Test Dust, and silica at 30% relative humidity, GC-MS identified limonene-1,2-diol as the dominant product with total organic surface concentrations on the order of (3-5) × 10 18 molecules m -2 . Experiments with 18 O-labeled water support a mechanism initiated by oxidation of limonene by surface redox sites forming limonene oxide followed by water addition to the epoxide to form limonenediol. Limonene uptake on α-alumina, γ-alumina, and montmorillonite formed additional products in high yield, including carveol, carvone, limonene oxide, and α-terpineol. To model tropospheric processing of mineral aerosol, we also exposed each mineral substrate to gaseous nitric acid prior to limonene uptake and identified similar surface adsorbed products that were formed at rates 2 to 5 times faster than without nitrate coatings. The initial rate of reaction was linearly dependent on gaseous limonene concentration between 5 × 10 12 and 5 × 10 14 molecules cm -3 (0.22-20.5 ppm) consistent with an Eley-Rideal-type mechanism in which gaseous limonene reacts directly with reactive surface sites. Increasing relative humidity decreased the amount of surface adsorbed products indicating competitive adsorption of surface adsorbed water. Using a laminar flow tube reactor we measured the uptake coefficient for limonene on kaolinite at 25% RH to range from

  15. Decreasing Friction Sensitivity for Primary Explosives

    Science.gov (United States)

    Matyáš, Robert; Šelešovský, Jakub

    2014-04-01

    Primary explosives are a group of explosives that are widely used in various initiating devices. One of their properties is sufficient sensitivity to initiating stimuli. However, their sensitivity often introduces a safety risk during their production and subsequent handling. It is generally known that water can be used to desensitize these compounds. The most commonly used industrial primary explosives (lead azide, lead styphnate, tetrazene, and diazodinitrophenol) were mixed with water in various ratios and the sensitivity to friction was determined for all mixtures. It was found that even a small addition of water (5-10%) considerably lowered the friction sensitivity.

  16. Techniques of industrial radiology in military explosives

    International Nuclear Information System (INIS)

    Alves, L.E.G.

    1985-01-01

    The use of industrial radiology techniques id very important for military explosive fabrication. The cylindrical-ogive bodies made in forged metal have their interior fulfilled with high melted explosive and they must explode when they reach the target. The granades, as these bodies are called, are thrown by cannons and their interior are submitted to high pressures and accelerations which can cause a premature detonation, in most case, in interior of tube, in case of they have defects in explosive mass. The origins of defects, its localization and classification presenting the techniques used and disposable in Brazil are discussed. (M.C.K.) [pt

  17. Water waves generated by underwater explosion

    CERN Document Server

    Mehaute, Bernard Le

    1996-01-01

    This is the first book on explosion-generated water waves. It presents the theoretical foundations and experimental results of the generation and propagation of impulsively generated waves resulting from underwater explosions. Many of the theories and concepts presented herein are applicable to other types of water waves, in particular, tsunamis and waves generated by the fall of a meteorite. Linear and nonlinear theories, as well as experimental calibrations, are presented for cases of deep and shallow water explosions. Propagation of transient waves on dissipative, nonuniform bathymetries to

  18. Vanadium (4) complexing in phase of adsorbent with benzimidazole groups

    Energy Technology Data Exchange (ETDEWEB)

    Shvoeva, O P; Kuchava, G P; Evtikova, G A; Belyaeva, V K; Myasoedova, G V; Marov, I N [AN SSSR, Moscow (USSR). Inst. Geokhimii i Analiticheskoj Khimii

    1989-04-01

    Equilibrium and kinetic characteristics of V{sup 4+} sorption by POLYORGS XI-H adsorbent with benzimidazole groups (BIm) are investigated. Using ESR method it is stated that (VO{sup 2+}):(BIm)1:2 complex, where VO{sup 2+} is combined with nitrogen atoms of two imidazole groups, is formed in adsorbent phase. The highest distribution factor of 4.7x10{sup 3} is attained at pH6.

  19. Residence time determination for adsorbent beds of different configurations

    Energy Technology Data Exchange (ETDEWEB)

    Otermat, J.E.; Wikoff, W.O.; Kovach, J.L.

    1995-02-01

    The residence time calculations of ASME AG-1 Code, Section FC, currently specify a screen surface area method, that is technically incorrect. Test data has been obtained on Type II adsorber trays of different configurations to establish residence time in the adsorber trays. These data indicate that the air volume/carbon volume ratio or the average screen area are more appropriate for the calculation of the residence time calculation than the currently used, smallest screen area basis.

  20. Vanadium (4) complexing in phase of adsorbent with benzimidazole groups

    International Nuclear Information System (INIS)

    Shvoeva, O.P.; Kuchava, G.P.; Evtikova, G.A.; Belyaeva, V.K.; Myasoedova, G.V.; Marov, I.N.

    1989-01-01

    Equilibrium and kinetic characteristics of V 4+ sorption by POLYORGS XI-H adsorbent with benzimidazole groups (BIm) are investigated. Using ESR method it is stated that [VO 2+ ]:[BIm]1:2 complex, where VO 2+ is combined with nitrogen atoms of two imidazole groups, is formed in adsorbent phase. The highest distribution factor of 4.7x10 3 is attained at pH6