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Sample records for adsorbate excitation mechanism

  1. Electronically driven adsorbate excitation mechanism in femtosecond-pulse laser desorption

    DEFF Research Database (Denmark)

    Brandbyge, Mads; Hedegård, Per; Heinz, T. F.

    1995-01-01

    Femtosecond-pulse laser desorption is a process in which desorption is driven by a subpicosecond temperature pulse of order 5000 K in the substrate-adsorbate electron system, whose energy is transferred into the adsorbate center-of-mass degrees of freedom by a direct coupling mechanism. We presen...

  2. Selective excitation of adsorbate vibrations on dissipative surfaces

    OpenAIRE

    2008-01-01

    The selective infrared (IR) excitation of molecular vibrations is a powerful tool to control the photoreactivity prior to electronic excitation in the ultraviolet / visible (UV/Vis) light regime ("vibrationally mediated chemistry"). For adsorbates on surfaces it has been theoretically predicted that IR preexcitation will lead to higher UV/Vis photodesorption yields and larger cross sections for other photoreactions. In a recent experiment, IR-mediated desorption of molecular hydrogen from a S...

  3. 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...

  4. Quenching of magnetic excitations in single adsorbates at surfaces: Mn on CuN/Cu(100)

    Science.gov (United States)

    Novaes, Frederico D.; Lorente, Nicolás; Gauyacq, Jean-Pierre

    2010-10-01

    The lifetimes of spin excitations of Mn adsorbates on CuN/Cu(100) are computed from first principles. The theory is based on a strong-coupling approach that evaluates the decay of a spin excitation due to electron-hole pair creation. Using a previously developed theory [Phys. Rev. Lett. 103, 176601 (2009)10.1103/PhysRevLett.103.176601 and Phys. Rev. B 81, 165423 (2010)10.1103/PhysRevB.81.165423], we compute the excitation rates by a tunneling current for all the Mn spin states. A rate equation approach permits us to simulate the experimental results by Loth and co-workers [Nat. Phys. 6, 340 (2010)]10.1038/nphys1616 for large tunneling currents, taking into account the finite population of excited states. Our simulations give us insight into the spin dynamics, in particular, in the way polarized electrons can reveal the existence of an excited-state population. In addition, it reveals that the excitation process occurs in a way very different from the deexcitation one. Indeed, while excitation by tunneling electrons proceeds via the s and p electrons of the adsorbate, deexcitation mainly involves the d electrons.

  5. Investigation into adsorption mechanisms of sulfonamides onto porous adsorbents.

    Science.gov (United States)

    Yang, Weiben; Zheng, Fangfang; Xue, Xiaoxu; Lu, Yiping

    2011-10-15

    The presence of sulfonamide antibiotics in aquatic environments poses potential ecological risks and dangers to human health. In this study, porous resins as adsorbents for the removal of two sulfonamides, sulfadiazine and sulfadimidine, from aqueous solutions were evaluated. Activated carbon F-400 was included as a comparative adsorbent. Despite the different surface properties and pore structures of the three resins, similar patterns of pH-dependent adsorption were observed, implying the importance of sulfonamide molecular forms to the adsorption process on the resins. Sulfonamide adsorption to the three resins exhibited different ionic strengths and temperature dependence consistent with sulfonamide speciation and the corresponding adsorption mechanism. Adsorption of sulfadiazine to F-400 was relatively insensitive to pH and ionic strength as micropore-filling mainly contributed to adsorption. The adsorption mechanism of sulfadiazine to the hypercrosslinked resin MN-200 was similar to that of the macroporous resin XAD-4 at lower pH values, whereas it was almost identical to the aminated resin MN-150 at higher pH. This work provided an understanding of adsorption behavior and mechanism of sulfonamide antibiotics on different adsorbents and should result in more effective applications of porous resin for antibiotics removal from industrial wastewater. Copyright © 2011 Elsevier Inc. All rights reserved.

  6. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Eric Scott [Univ. of California, Berkeley, CA (United States)

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin`s resonant energy transfer hopping mechanism.

  7. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, E.S.

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin's resonant energy transfer hopping mechanism.

  8. A discrete interaction model/quantum mechanical method for describing response properties of molecules adsorbed on metal nanoparticles.

    Science.gov (United States)

    Morton, Seth Michael; Jensen, Lasse

    2010-08-21

    A new polarizable quantum mechanics/molecular mechanics method for the calculation of response properties of molecules adsorbed on metal nanoparticles is presented. This method, which we denote the discrete interaction model/quantum mechanics (DIM/QM) method, represents the nanoparticle atomistically which enables the modeling of the influence of the local environment of a nanoparticle surface on the optical properties of a molecule. Using DIM/QM, we investigate the excitation energies of rhodamine-6G (R6G) and crystal violet (CV) adsorbed on silver and gold nanoparticles of different quasispherical shapes and sizes. The metal nanoparticle is characterized by its static total polarizability, a reasonable approximation for frequencies far from the plasmon resonance. We observe that for both R6G and CV, the presence of the nanoparticle shifts the strongest excitation to the red approximately 40 nm and also increases the oscillator strength of that excitation. The shifts in excitation energies due to the nanoparticle surface are found to be comparable to those due to solvation. We find that these shifts decay quickly as the molecule is moved away from the surface. We also find that the wavelength shift is largest when the transition dipole moment is aligned with the edges of the nanoparticle surface where the electric field is expected to be the largest. These results show that the molecular excitations are sensitive to the local environment on the nanoparticle as well as the specific orientation of the molecule relative to the surface.

  9. ADSORPTION OF DINITROPHENOLS ONTO POLYMERIC ADSORBENTS AND ITS MECHANISM

    Institute of Scientific and Technical Information of China (English)

    SHIZuoqing; XUMancai; 等

    2000-01-01

    The adsorption of 2,4-dinitrophenol and 2,6-dinitrophenol on non-polar and polar adsorbents was studied.The results showed that the equilibrium adsorption did not comply with the Langmuir equation and was not mono-layer adsorption .It is of interest to notice that the effect of pH on the adsorption of 2,4-or 2,6-dinitrophenol onto ADS-7 and ADS-21 was very small,The result is explained by hydrogen bonding interaction between 2,4-or 2,6-dinitrophenol and the adsorbent ADS-21.The large adsorption capacity of dinitrophenol onto ADS-21,which was about 500mg/g at an equilibrium concentration of 400mg/L,and the small dinitrophenol leakage in the effluent from ADS-21 column presented a good prospect for treatment of wastewater containing dinitrophenol with adsorbent ADS-21.

  10. Density matrix treatment of combined instantaneous and delayed dissipation for an electronically excited adsorbate on a solid surface

    Science.gov (United States)

    Leathers, Andrew S.; Micha, David A.; Kilin, Dmitri S.

    2009-10-01

    The interaction of an excited adsorbate with a medium undergoing electronic and vibrational transitions leads to fast dissipation due to electronic energy relaxation and slow (or delayed) dissipation from vibrational energy relaxation. A theoretical and computational treatment of these phenomena has been done in terms of a reduced density matrix satisfying a generalized Liouville-von Neumann equation, with instantaneous dissipation constructed from state-to-state transition rates, and delayed dissipation given by a memory term derived from the time-correlation function (TCF) of atomic displacements in the medium. Two representative applications are presented here, where electronic excitation may enhance vibrational relaxation of an adsorbate. They involve femtosecond excitation of (a) a CO molecule adsorbed on the Cu(001) metal surface and (b) a metal cluster on a semiconductor surface, Ag3Si(111):H, both electronically excited by visible light and undergoing electron transfer and dissipative dynamics by electronic and vibrational relaxations. Models have been parametrized in both cases from electronic structure calculations and known TCFs for the medium, which are slowly decaying in case (a) and fast decaying in case (b). This requires different numerical procedures in the solution of the integrodifferential equations for the reduced density matrix, which have been solved with an extension of the Runge-Kutta algorithm. Results for the populations of vibronic states versus time show that they oscillate due to vibrational coupling through dissipative interaction with the substrate and show quantum coherence. The total population of electronic states is, however, little affected by vibrational motions. Vibrational relaxation is important only at very long times to establish thermal equilibrium.

  11. Surface-enhanced Raman scattering of Ethyl carbamate adsorbed on Ag20 cluster: Enhancement mechanism

    Science.gov (United States)

    Du, Junmei; Wang, Hongyan; Wang, Hui; Chen, Yuanzheng; Guo, Chunsheng; Gan, Liyong; Du, Muying

    2017-03-01

    The normal and surface-enhanced Raman scattering of EC are studied by using the M06-2X functional. Different contributions to Raman enhancements of EC adsorbed on Ag20 cluster are analyzed in detail to explore the enhancement mechanism. The adsorption of EC on Ag20 cluster involves the static chemical enhancement with enhancements factor (EF) of 10 by forming a new EC-Ag20 complex. The charge-transfer enhancement with EF of 104 is found when a 352 nm wavelength, corresponding to the absorption maximum of EC-Ag20 complex, is taken as an incident light. The electromagnetic enhancement EF of 3.6 × 106 due to the localized surface plasmon resonance (LSPR) of Ag nanosphere at the same excitation wavelength are acquired by the discrete dipole approximation (DDA) method. The combined effect of the chemical and electromagnetic enhancement results in the total relative enhancements factor up to 3.6 × 1010. The enhancement mechanisms are successfully explained by the combination of ab initio calculation and discrete dipole appropriation method.

  12. Subharmonic excitation in amplitude modulation atomic force microscopy in the presence of adsorbed water layers

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Sergio [Laboratory of Energy and Nanosciences, Masdar Institute of Science and Technology, P.O. BOX 54224, Abu Dhabi (United Arab Emirates); Barcons, Victor [Departament de Disseny i Programacio de Sistemes Electronics, UPC - Universitat Politecnica de Catalunya Av. Bases, 61, 08242 Manresa (Spain); Verdaguer, Albert [Centre d' Investigacio en Nanociencia i Nanotecnologia (CIN2) (CSIC-ICN), Esfera UAB, Campus de la UAB, Edifici CM-7, 08193-Bellaterra, Catalunya (Spain); Chiesa, Matteo [Laboratory of Energy and Nanosciences, Masdar Institute of Science and Technology, P.O. BOX 54224, Abu Dhabi (United Arab Emirates); Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139-4307 (United States)

    2011-12-01

    In ambient conditions, nanometric water layers form on hydrophilic surfaces covering them and significantly changing their properties and characteristics. Here we report the excitation of subharmonics in amplitude modulation atomic force microscopy induced by intermittent water contacts. Our simulations show that there are several regimes of operation depending on whether there is perturbation of water layers. Single period orbitals, where subharmonics are never induced, follow only when the tip is either in permanent contact with the water layers or in pure noncontact where the water layers are never perturbed. When the water layers are perturbed subharmonic excitation increases with decreasing oscillation amplitude. We derive an analytical expression which establishes whether water perturbations compromise harmonic motion and show that the predictions are in agreement with numerical simulations. Empirical validation of our interpretation is provided by the observation of a range of values for apparent height of water layers when subharmonic excitation is predicted.

  13. The mechanisms of Excited states in enzymes

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Bohr, Henrik

    2010-01-01

    Enzyme catalysis is studied on the basis of excited state processes, which are of electronic, vibrational and thermal nature. The ways of achieving the excited state, such as photo-absorption and ligand binding, are discussed and exemplified by various cases of enzymes.......Enzyme catalysis is studied on the basis of excited state processes, which are of electronic, vibrational and thermal nature. The ways of achieving the excited state, such as photo-absorption and ligand binding, are discussed and exemplified by various cases of enzymes....

  14. The mechanisms of Excited states in enzymes

    DEFF Research Database (Denmark)

    Petersen, Frederic Nicolas Rønne; Bohr, Henrik

    2010-01-01

    Enzyme catalysis is studied on the basis of excited state processes, which are of electronic, vibrational and thermal nature. The ways of achieving the excited state, such as photo-absorption and ligand binding, are discussed and exemplified by various cases of enzymes.......Enzyme catalysis is studied on the basis of excited state processes, which are of electronic, vibrational and thermal nature. The ways of achieving the excited state, such as photo-absorption and ligand binding, are discussed and exemplified by various cases of enzymes....

  15. 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...

  16. Investigation of Performances and Mechanism of Fluoride Removal by Fe(Ⅲ)-Loaded Ligand Exchange Cotton Cellulose Adsorbent

    Institute of Scientific and Technical Information of China (English)

    ZHAO Ya-ping; LI Xiu-yan; LIU Lu; CHEN Fu-hua

    2005-01-01

    Novel adsorbent, Fe( Ⅲ )-loaded ligand exchange cotton cellulose adsorbent [Fe(Ⅲ)LECCA], was used to investigate the adsorption performances and mechanism of fluoride removal from aqueous solutions. The adsorbent was found to adsorb fluoride rapidly and effectively. The fluoride removal was influenced by pH. Adsorption mode followed first-order reaction at different temperature, theapparent adsorption maximal integer coordination ratio of fluoride with Fe (Ⅲ)LECCA was 3: 1. The ligand exchange mechanism of adsorption was elucidated through chemical methods and IR spectral analysis.

  17. Nonlinear Resonance of Mechanically Excited Sessile Drops

    Science.gov (United States)

    Chang, Chun-Ti; Daniel, Susan; Steen, Paul

    2013-11-01

    The spectrum of frequencies and mode shapes for an inviscid drop on a planar substrate have recently been documented. For vertical excitation, zonal modes respond to the driving frequency harmonically and non-zonal modes subharmonically, consistent with the prior literature. In this study, we report observations from the regime of nonlinear response. Here, zonals can respond non-harmonically, both sub- and super-harmonic responses are reported. The principal challenge to generating and observing superharmonic resonances of higher zonal modes is a mode-mixing behavior. However, using a simple visual simulation based on the ray-tracing technique, the individual contributions to the mixed resonance behavior can be extracted. In summary, results from experiment and theory show that the zonal modes, which respond harmonically and can mix with non-zonal modes without interfering with one another in the linear regime, tend to respond sub- or superharmonically and compete with non-zonal modes in the nonlinear regime.

  18. Mechanism of dialkyl phthalates removal from aqueous solution using γ-cyclodextrin and starch based polyurethane polymer adsorbents.

    Science.gov (United States)

    Okoli, Chukwunonso Peter; Adewuyi, Gregory Olufemi; Zhang, Qian; Diagboya, Paul N; Guo, Qingjun

    2014-12-19

    Phthalate esters have been known as potent endocrine disruptors and carcinogens; and their removal from water have been of considerable concern recently. In the present study, γ-cyclodextrin polyurethane polymer (GPP), γ-cyclodextrin/starch polyurethane copolymer (GSP), and starch polyurethane polymer (SPP) have been synthesized and characterized. Their adsorption efficiencies for the removal of dimethyl phthalate (DMP) and diethyl phthalate (DEP) from aqueous solutions were investigated. The characterization results showed the success of the synthesis. The isotherms were L-type, and both the Langmuir and Freundlich adsorption isotherm gave good fittings to the adsorption data. Adsorption mechanisms suggested that these adsorbents spontaneously adsorb phthalate molecules driven mainly by enthalpy change, and the adsorption process was attributed to multiple adsorbent-adsorbate interactions such as hydrogen bonding, π-π stacking, and pore filling. The results showed that starch and γ-cyclodextrin polyurethane polymer adsorbents have excellent potential as adsorbent materials for the removal of phthalates from the contaminated water.

  19. A magnetically adsorbed fine adjustment mechanism of the second crystal in a double-crystal monochromator

    Institute of Scientific and Technical Information of China (English)

    CAO Chong-Zhen; GAO Xue-Guan; MA Pei-Sun; WANG Feng-Qin; HE Dong-Qing; HUANG Yu-Ying; LIU Peng

    2005-01-01

    In a fine adjustment mechanism of the second crystal in a double-crystal monochromator, a compression spring is usually used as a return force element, but it often produces permanent deform after some time. A novel fine adjustment mechanism is put forward, which utilizes permanent-magnet as the return force element instead of a compression spring. Its principle and advantages of adjusting the pitch angle and the roll angle are analyzed, and the structure parameters of the permanent-magnet, which is the key pa rt of the fine adjustment mechanism, are optimized. The magnetically adsorbed fine adjustment mechanism has been testified and applied successfully in the double-crystal monochromator of 4W1B beam line in Beijing Synchrotron Radiation Facility (BSRF).

  20. Classical vs Quantum Mechanics: role of elementary excitations

    CERN Document Server

    Loris, I

    2003-01-01

    Simple theorems relating a quantum mechanical system to the corresponding classical one at equilibrium and connecting the quantum eigenvalues to the frequencies of normal modes oscillations are presented. Corresponding to each quantum eigenfunction, a ` classical eigenfunction' is associated. Those belonging to `elementary excitations' play an important role.

  1. Single Element Excitation and Detection of (Micro-)Mechanical Resonators

    NARCIS (Netherlands)

    Tilmans, Harrie A.C.; IJntema, Dominicus .J.; Fluitman, Jan H.J

    1991-01-01

    The authors describe a single-element approach for the excitation and detection of the vibrational motion of (micro-)mechanical resonators. An equivalent electrical one-port network is derived for an electrostatically and a piezoelectrically driven resonator. In this way, the effect of the mechanica

  2. Relationship between Pore-size Distribution and Flexibility of Adsorbent Materials: Statistical Mechanics and Future Material Characterization Techniques.

    Science.gov (United States)

    Siderius, Daniel W; Mahynski, Nathan A; Shen, Vincent K

    2017-05-01

    Measurement of the pore-size distribution (PSD) via gas adsorption and the so-called "kernel method" is a widely used characterization technique for rigid adsorbents. Yet, standard techniques and analytical equipment are not appropriate to characterize the emerging class of flexible adsorbents that deform in response to the stress imparted by an adsorbate gas, as the PSD is a characteristic of the material that varies with the gas pressure and any other external stresses. Here, we derive the PSD for a flexible adsorbent using statistical mechanics in the osmotic ensemble to draw analogy to the kernel method for rigid materials. The resultant PSD is a function of the ensemble constraints including all imposed stresses and, most importantly, the deformation free energy of the adsorbent material. Consequently, a pressure-dependent PSD is a descriptor of the deformation characteristics of an adsorbent and may be the basis of future material characterization techniques. We discuss how, given a technique for resolving pressure-dependent PSDs, the present statistical mechanical theory could enable a new generation of analytical tools that measure and characterize certain intrinsic material properties of flexible adsorbents via otherwise simple adsorption experiments.

  3. Mechanism of the self-excited oscillation pipeline flocculator

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    This paper presents the research on the dynamic mechanism of flocculation based on the characteristcs of turbulent flow. The shearing force and the centrifugal force transferred by the vortex are the main forces to cause collision of flocculated grains in water and the shearing force is the primary one. Based on this mechanism, a new type of self-excited oscillation pipeline flocculator is designed.

  4. STUDY ON MECHANISM OF ARC-EXCITED ULTRASONIC

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    A mechanism of excited arc to be an controlled "ultrasonic emission source" is described. An developed electrical source with an certain frequency bandwidth for the purpose of the arc-excited is connected with an conventional welding power supply through coupling the cables for the experiment. Some resonant frequency bands for the arc-excited ultrasonic are discovered in the welding process, and its frequency, amplitude and phase'shift are recorded. This principle demonstrates that arc can be used not only for a thermal source, but also for an ultrasonic emission source, which may be extent to the industrial application in some new ways, such as for automatic welding process control and quality inspection.

  5. Mechanical activation of CaO-based adsorbents for CO(2) capture.

    Science.gov (United States)

    Sayyah, Maryam; Lu, Yongqi; Masel, Richard I; Suslick, Kenneth S

    2013-01-01

    The reversible cycling of CaO adsorbents to CaCO(3) for high-temperature CO(2) capture is substantially improved by mechanical treatment. The mechanical milling intensity and conditions of grinding (e.g., wet vs. dry, planetary vs. vibratory milling) were determined to be the main factors that control the effectiveness of the mechanochemical synthesis to enhance the recycling stability of the sorbents prepared. In addition, MgO was used as an example of an inert binder to help mitigate CaCO(3) sintering. Wet planetary milling of MgO into CaCO(3) allowed efficient particle size reduction and the effective dispersion of MgO throughout the particles. Wet planetary milling yielded the most stable sorbents during 50 cycles of carbonation-calcination.

  6. Anomalous Enhancement of Mechanical Properties in the Ammonia Adsorbed Defective Graphene

    Science.gov (United States)

    Ma, Fengxian; Jiao, Yalong; Gu, Yuantong; Bilic, Ante; Chen, Ying; Chen, Zhongfang; Du, Aijun

    2016-01-01

    Pure graphene is known as the strongest material ever discovered. However, the unavoidable defect formation in the fabrication process renders the strength of defective graphene much lower (~14%) than that of its perfect counterpart. By means of density functional theory computations, we systematically explored the effect of gas molecules (H2, N2, NH3, CO, CO2 and O2) adsorption on the mechanical strength of perfect/defective graphene. The NH3 molecule is found to play a dominant role in enhancing the strength of defective graphene by up to ~15.6%, while other gas molecules decrease the strength of graphene with varying degrees. The remarkable strength enhancement can be interpreted by the decomposition of NH3, which saturates the dangling bond and leads to charge redistribution at the defect site. The present work provides basic information for the mechanical failure of gas-adsorbed graphene and guidance for manufacturing graphene-based electromechanical devices. PMID:27667709

  7. Thermodynamic Characteristics and Mechanisms of Heavy Metals Adsorbed onto Urban Soil

    Institute of Scientific and Technical Information of China (English)

    LI Yue-ming; KANG Chun-li; CHEN Wei-wei; MING Lian; ZHANG Sai; GUO Ping

    2013-01-01

    The thermodynamic characteristics of heavy metals adsorbed onto urban soil and the relative adsorption mechanisms were studied by the batch experiment.The results show that there existed dynamic adsorption-desorption equilibrium processes of cationic and anionic ions of heavy metals onto urban soil,which may have an impact on the pH of the adsorption system.The amounts of heavy metals adsorbed onto urban soil increased with the increase of the equilibrium concentration,but their adsorption amounts were not the maximum adsorption amounts.The higher the pH was,the greater the adsorption capacity of the urban soil at the same equilibrium concentration was,and the adsorption amounts of heavy metals onto urban soil followed the order of Pb>Cu>Cd>Zn>Ni.There were coordination reaction,hydrolysis reaction,exchange reaction in the adsorption processes of heavy metals onto urban soil.With the increase of pH,the influencing degree of pH on the different reactions of heavy metals in the soil increased,mean-while the effects of other physicochemical properties of soil on the adsorption of heavy metals were weakened.

  8. The syncytial Drosophila embryo as a mechanically excitable medium

    CERN Document Server

    Idema, Timon; Manning, M Lisa; Nelson, Philip C; Liu, Andrea J

    2013-01-01

    Mitosis in the early syncytial Drosophila embryo is highly correlated in space and time, as manifested in mitotic wavefronts that propagate across the embryo. In this paper we investigate the idea that the embryo can be considered a mechanically-excitable medium, and that mitotic wavefronts can be understood as nonlinear wavefronts that propagate through this medium. We study the wavefronts via both image analysis of confocal microscopy videos and theoretical models. We find that the mitotic wavefront can be resolved into two distinct wavefronts in each cycle, corresponding to metaphase and anaphase, respectively. The two wavefronts have the same speed and are separated by a time interval that is independent of cycle, supporting the idea that they are two different markers for the same process. To understand the wavefronts theoretically we analyze wavefront propagation in excitable media. We study two classes of models, one with biochemical signaling and one with mechanical signaling. We find that the depende...

  9. Mechanisms of Exciting Pressure Oscillations in Ramjet Engines.

    Science.gov (United States)

    1986-01-01

    speed shadowgraph cinematography and the heat release is estimated from time resolved radiation measurements in narrow vertical slits at different...l and/or SCALE FCOR Special 0 I- 0.000" 0.500" 1.000" 1.500’ DISTANCE DOWNSTREAM OFFLAMEHOLDER Figure 2. The quasi-periodic appearance of the...6- (b) The Effect of Mixture Ratio and Fuel Type on the Mechanism of Self Excitation Past experiments have suggested that the chemical time

  10. Adsorption mechanisms of removing heavy metals and dyes from aqueous solution using date pits solid adsorbent.

    Science.gov (United States)

    Al-Ghouti, Mohammad A; Li, Juiki; Salamh, Yousef; Al-Laqtah, Nasir; Walker, Gavin; Ahmad, Mohammad N M

    2010-04-15

    A potential usefulness of raw date pits as an inexpensive solid adsorbent for methylene blue (MB), copper ion (Cu(2+)), and cadmium ion (Cd(2+)) has been demonstrated in this work. This work was conducted to provide fundamental information from the study of equilibrium adsorption isotherms and to investigate the adsorption mechanisms in the adsorption of MB, Cu(2+), and Cd(2+) onto raw date pits. The fit of two models, namely Langmuir and Freundlich models, to experimental data obtained from the adsorption isotherms was checked. The adsorption capacities of the raw date pits towards MB and both Cu(2+) and Cd(2+) ions obtained from Langmuir and Freundlich models were found to be 277.8, 35.9, and 39.5 mg g(-1), respectively. Surface functional groups on the raw date pits surface substantially influence the adsorption characteristics of MB, Cu(2+), and Cd(2+) onto the raw date pits. The Fourier transform infrared spectroscopy (FTIR) studies show clear differences in both absorbances and shapes of the bands and in their locations before and after solute adsorption. Two mechanisms were observed for MB adsorption, hydrogen bonding and electrostatic attraction, while other mechanisms were observed for Cu(2+) and Cd(2+). For Cu(2+), binding two cellulose/lignin units together is the predominant mechanism. For Cd(2+), the predominant mechanism is by binding itself using two hydroxyl groups in the cellulose/lignin unit. 2009 Elsevier B.V. All rights reserved.

  11. Growth mechanism and magnon excitation in NiO nanowalls

    Directory of Open Access Journals (Sweden)

    Yang Chun

    2011-01-01

    Full Text Available Abstract The nanosized effects of short-range multimagnon excitation behavior and short-circuit diffusion in NiO nanowalls synthesized using the Ni grid thermal treatment method were observed. The energy dispersive spectroscopy mapping technique was used to characterize the growth mechanism, and confocal Raman scattering was used to probe the antiferromagnetic exchange energy J 2 between next-nearest-neighboring Ni ions in NiO nanowalls at various growth temperatures below the Neel temperature. This study shows that short spin correlation leads to an exponential dependence of the growth temperatures and the existence of nickel vacancies during the magnon excitation. Four-magnon configurations were determined from the scattering factor, revealing a lowest state and monotonic change with the growth temperature. PACS: 75.47.Lx; 61.82.Rx; 75.50.Tt; 74.25.nd; 72.10.Di

  12. Adsorbed polyelectrolyte coatings decrease Fe(0) nanoparticle reactivity with TCE in water: conceptual model and mechanisms.

    Science.gov (United States)

    Phenrat, Tanapon; Liu, Yueqiang; Tilton, Robert D; Lowry, Gregory V

    2009-03-01

    The surfaces of reactive nanoscale zerovalent iron (NZVI) particles used for in situ groundwater remediation are modified with polymers or polyelectrolytes to enhance colloidal stability and mobility in the subsurface. However, surface modification decreases NZVI reactivity. Here, the TCE dechlorination rate and reaction products are measured as a function of adsorbed polyelectrolyte mass for three commercially available polyelectrolytes used for NZVI surface modification including poly(styrene sulfonate) (PSS), carboxymethyl cellulose (CMC), and polyaspartate (PAP). The adsorbed mass, extended layer thickness, and TCE-polyelectrolyte partition coefficient are measured and used to explain the effect of adsorbed polyelectrolyte on NZVI reactivity. For all modifiers, the dechlorination rate constant decreased nonlinearly with increasing surface excess, with a maximum of a 24-fold decrease in reactivity. The TCE dechlorination pathways were not affected. Consistent with Scheutjens-Fleer theory for homopolymer adsorption, the nonlinear relationship between the dechlorination rate and the surface excess of adsorbed polyelectrolyte suggests that adsorbed polyelectrolyte decreases reactivity primarily by blocking reactive surface sites at low surface excess where they adsorb relatively flat onto the NZVI surface, and by a combination of site blocking and decreasing the aqueous TCE concentration at the NZVI surface due to partitioning of TCE to adsorbed polyelectrolytes. This explanation is also consistent with the effect of adsorbed polyelectrolyte on acetylene formation. This conceptual model should apply to other medium and high molecular weight polymeric surface modifiers on nanoparticles, and potentially to adsorbed natural organic matter.

  13. A Comparison Study of Mechanism: Cu2+ Adsorption on Different Adsorbents and Their Surface-Modified Adsorbents

    Directory of Open Access Journals (Sweden)

    Yaqin Yu

    2016-01-01

    Full Text Available The isothermal adsorption kinetics of Cu2+ onto Carbon Black (CB and Oxidized Carbon Black (OCB were studied under different solution conditions and compared with bentonite and organic bentonite with the hexadecyltrimethylammonium bromide (HDTMA. The adsorption capacities followed the order of OCB > CB > organic bentonite > bentonite, which was consistent with the orders of their surface roughness and specific surface area. The Fourier transmission infrared (FT-IR spectroscopy, scanning electron microscopy (SEM, and transmission electron microscope (TEM were used to explore the adsorption mechanism at molecular level. The adsorption process onto CB was physical adsorption. However, with the increase of oxygen-containing functional groups (C=O, C-O, and CNO, the chelation adsorption onto OCB became gradually dominant except physical adsorption. The ion exchange adsorption was the major adsorption mechanism of bentonite. The compounds were introduced into clay interlayer by complexing reaction with Cu2+, which improved the adsorption capacity of organic bentonite. The results present a significant implication for the environmental fate assessment of heavy metal pollution.

  14. Piezoelectric compliant mechanism energy harvesters under large base excitations

    Science.gov (United States)

    Ma, Xiaokun; Trolier-McKinstry, Susan; Rahn, Christopher D.

    2016-09-01

    A piezoelectric compliant mechanism (PCM) energy harvester is designed, modeled, and analyzed that consists of a polyvinylidene diflouoride, PVDF unimorph clamped at its base and attached to a compliant mechanism at its tip. The compliant hinge stiffness is carefully tuned to approach a low frequency first mode with an efficient (nearly quadratic) shape that provides a uniform strain distribution. A nonlinear model of the PCM energy harvester under large base excitation is derived to determine the maximum power that can be generated by the device. Experiments with a fabricated PCM energy harvester prototype show that the compliant mechanism introduces a stiffening effect and a much wider bandwidth than a benchmark proof mass cantilever design. The PCM bridge structure self-limits the displacement and maximum strain at large excitations compared with the proof mass cantilever, improving the device robustness. The PCM outperforms the cantilever in both average power and power-strain sensitivity at high accelerations due to the PCM axial stretching effect and its more uniform strain distribution.

  15. Modal Testing of Mechanical Structures Subject to Operational Excitation Forces

    DEFF Research Database (Denmark)

    Møller, N.; Brincker, Rune; Herlufsen, H.;

    2000-01-01

    Operational Modal Analysis also known as Output Only Modal Analysis has in the recent years been used for extracting modal parameters of civil engineering structures and is now becoming popular for mechanical structures. The advantage of the method is that no artificial excitation need...... to the Operational Modal Analysis. For Operational Modal Analysis two different estimation techniques are used: a non-parametric technique based on Frequency Domain Decomposition (FDD), and a parametric technique working on the raw data in time domain, a data driven Stochastic Subspace Identification (SSI) algorithm....... These are compared to other methods such as traditional Modal Analysis....

  16. Extreme events in excitable systems and mechanisms of their generation.

    Science.gov (United States)

    Ansmann, Gerrit; Karnatak, Rajat; Lehnertz, Klaus; Feudel, Ulrike

    2013-11-01

    We study deterministic systems, composed of excitable units of FitzHugh-Nagumo type, that are capable of self-generating and self-terminating strong deviations from their regular dynamics without the influence of noise or parameter change. These deviations are rare, short-lasting, and recurrent and can therefore be regarded as extreme events. Employing a range of methods we analyze dynamical properties of the systems, identifying features in the systems' dynamics that may qualify as precursors to extreme events. We investigate these features and elucidate mechanisms that may be responsible for the generation of the extreme events.

  17. 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 TiO2(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 TiO2(110) surface.

  18. Excitation transfer through open quantum networks: a few basic mechanisms

    CERN Document Server

    Venuti, Lorenzo Campos

    2011-01-01

    A variety of open quantum networks are currently under intense examination to model energy transport in photosynthetic systems. Here we study the coherent transfer of a quantum excitation over a network incoherently coupled with a structured and small environment that effectively models the photosynthetic reaction center. Our goal is to distill a few basic, possibly universal, mechanisms or "effects" that are featured in simple energy-transfer models. In particular, we identify three different phenomena: the congestion effect, the asymptotic unitarity and the staircase effects. We begin with few-site models, in which these effects can be fully understood, and then proceed to study more complex networks similar to those employed to model energy transfer in light-harvesting complexes. Our numerical studies on such networks seem to suggest that some of the effects observed in simple networks may be of relevance for biological systems, or artificial analogues of them as well.

  19. PVDF membranes containing hybrid nanoparticles for adsorbing cationic dyes: physical insights and mechanism

    Science.gov (United States)

    Sharma, Maya; Madras, Giridhar; Bose, Suryasarathi

    2016-07-01

    In this study, Fe (iron) and Ag (silver) based adsorbents were synthesized using solution combustion and in situ reduction techniques. The synthesized adsorbents were comprehensively characterized by different techniques including electron microscopy, BET, XRD, Zeta potential etc. Three chlorinated cationic dyes used were malachite green, methyl violet and pyronin Y. These dyes were adsorbed on various synthesized adsorbents [iron III oxide (Fe2O3)], iron III oxide decorated silver nanoparticles by combustion synthesis technique [Fe2O3-Ag(C)] and iron III oxide decorated silver nanoparticles using in situ reduction, [Fe2O3-Ag (S)]. The isotherm and the adsorption kinetics have been studied systematically. The kinetic data can be explained by the pseudo second order model and the adsorption equilibrium followed Langmuir isotherm. The equilibrium and kinetics results suggest that Fe2O3-Ag(S) nanoparticles showed the maximum adsorption among all the adsorbents. Hence, Polyvinylidene fluoride based membranes containing Fe2O3-Ag(S) nanoparticles were prepared via phase inversion (precipitation immersion using DMF/water) technique. The adsorption kinetics were studied in detail and it was observed that the composite membrane showed synergistic improvement in dye adsorption. Such membranes can be used for water purification.

  20. Inelastic scattering of {sup 9}Li and excitation mechanism of its first excited state

    Energy Technology Data Exchange (ETDEWEB)

    Al Falou, H. [Astronomy and Physics Department, Saint Mary' s University, Halifax, Nova Scotia B3H 3C3 (Canada); TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Kanungo, R., E-mail: ritu@triumf.ca [Astronomy and Physics Department, Saint Mary' s University, Halifax, Nova Scotia B3H 3C3 (Canada); Andreoiu, C.; Cross, D.S. [Department of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada); Davids, B.; Djongolov, M. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Gallant, A.T. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Department of Physics, University of British Columbia, British Columbia V6T 1Z4 (Canada); Galinski, N.; Howell, D. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Department of Physics, Simon Fraser University, Burnaby, British Columbia V5A 1S6 (Canada); Kshetri, R.; Niamir, D. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Orce, J.N. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Department of Physics, University of the Western Cape, P/B X17, Bellville, ZA-7535 (South Africa); Shotter, A.C. [Department of Physics and Astronomy, University of Edinburgh, Edinburgh (United Kingdom); Sjue, S. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Tanihata, I. [Research Center for Nuclear Physics, Osaka University, Mihogaoka, Ibaraki, Osaka 567 0047 (Japan); Thompson, I.J. [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States); Triambak, S. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Uchida, M. [Astronomy and Physics Department, Saint Mary' s University, Halifax, Nova Scotia B3H 3C3 (Canada); Walden, P. [TRIUMF, Vancouver, British Columbia V6T 2A3 (Canada); Wiringa, R.B. [Physics Division, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2013-04-25

    The first measurement of inelastic scattering of {sup 9}Li from deuterons at the ISAC facility is reported. The measured angular distribution for the first excited state confirms the nature of excitation to be an E2 transition. The quadrupole deformation parameter is extracted from an analysis of the angular distribution.

  1. Excitation and De-Excitation Mechanisms of ER - Gallium Arsenide and Aluminum Gallium Arsenide

    Science.gov (United States)

    Elsaesser, David William

    Electrical and optical characterization have been performed on GaAs and Al_{rm x}Ga_{rm 1-x} As samples doped with Er either by ion implantation and during Molecular Beam Epitaxial (MBE) growth. The electrical techniques of Deep Level Transient Spectroscopy (DLTS) and Temperature-Dependent Hall Effect (TDH) indicated that Er primarily formed two electrically active centers in both materials. The first center gave rise to a hole trap at E_{rm v} + 35 meV, which was thought to be due to Er substituting for a Ga atom (Er_{rm Ga}) and giving rise to an isoelectronic impurity potential. The second center also gave rise to a hole trap at approximately E_{rm v} + 360 meV, and was attributed to an Er atom occupying an interstitial position (Er_{rm i}). Annealing studies performed on Er-implanted GaAs indicated that the Er_{rm Ga} center preferentially formed at higher annealing temperatures (> 850^circC), with the Er_{rm i} reaching a maximum concentration at an annealing temperature of around 750^circC. Additionally, optical characterization performed by Photoluminescence (PL) measurements showed that the Er_{ rm i} center gave much stronger Er-related emissions due to the transition ^4I _{13/2} to ^4 I_{15/2} in the unfilled Er^{3+}-4f shell than was observed for 4f-emissions associated with the Er_{rm Ga} center. Mechanisms for the excitation and de-excitation of the Er-4f shell in GaAs, consistent with all experimental observations, were proposed. DLTS measurements also detected the presence of a large concentration of Ga-antisite (Ga_ {rm As}) defects as well as As-interstitial (As_{rm i}) defects. Based upon reports of Er^{3+} -4f emissions from four distinct Er-centers, two other likely Er-centers were proposed, Er_{rm Ga}-Ga_{rm As} and Er_{rm Ga} -As_{rm i}. Finally, electrical and optical characterization of Er-doped MBE -grown Al_{0.5}Ga _{rm 0.5}As indicated that the solubility limit of Er in this material was possibly as high as 2 times 10^ {19} cm^{-3}, as

  2. Adsorbent synthesis of polypyrrole/TiO2 for effective fluoride removal from aqueous solution for drinking water purification: Adsorbent characterization and adsorption mechanism.

    Science.gov (United States)

    Chen, Jie; Shu, Chiajung; Wang, Ning; Feng, Jiangtao; Ma, Hongyu; Yan, Wei

    2017-06-01

    More than 20 countries are still suffering problems of excessive fluoride containing water, and greater than 8mg/L fluoride groundwater has been reported in some villages in China. In order to meet the challenge in the drinking water defluoridation engineering, a high efficiency and affinity defluoridation adsorbent PPy/TiO2 composite was designed and synthetized by in-situ chemical oxidative polymerization. Fourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction Investigator (XRD), X-ray photoelectron spectroscopy (XPS), Thermogravimetric analysis (TG), N2 isotherm analysis, Scanning Electron Microscopy (SEM) and Zeta potential analysis were conducted to characterize surface and textural properties of the as-prepared PPy/TiO2, and the possibility of fluoride adsorption was carefully estimated by adsorption isotherm and kinetic studies. Characterization investigations demonstrate the uniqueness of surface and textural properties, such as suitable specific surface area and abundant positively charged nitrogen atoms (N(+)), which indicate the composite is a suitable material for the fluoride adsorption. Adsorption isotherms and kinetics follow better with Langmuir and pseudo-second-order model, respectively. The maximum adsorption capacity reaches 33.178mg/g at 25°C according to Langmuir model, and particular interest was the ability to reduce the concentration of fluoride from 11.678mg/L to 1.5mg/L for drinking water at pH of 7 within 30min. Moreover, the adsorbent can be easily recycled without the loss of adsorption capacity after six cycles, greatly highlighting its outstanding affinity to fluoride, low-cost and novel to be used in the purification of fluoride containing water for drinking. Furthermore, the adsorption mechanism was extensively investigated and discussed by FTIR investigation and batch adsorption studies including effect of pH, surface potential and thermodynamics. The adsorption is confirmed to be a spontaneous and exothermic process

  3. Production of scallop shell nanoparticles by mechanical grinding as a formaldehyde adsorbent

    Energy Technology Data Exchange (ETDEWEB)

    Yamanaka, Shinya, E-mail: syama@mmm.muroran-it.ac.jp [Muroran Institute of Technology, College of Environmental Technology (Japan); Suzuma, Akifumi [Muroran Institute of Technology, Division of Applied Sciences (Japan); Fujimoto, Toshiyuki; Kuga, Yoshikazu [Muroran Institute of Technology, College of Environmental Technology (Japan)

    2013-04-15

    Scallop shells, which are a waste product in the seafood industry, are disposed more than 200,000 ton per year in Hokkaido, Japan. We report effective uses and simple application for discarded shells as a formaldehyde adsorbent. The adsorption performance of scallop shells to remove formaldehyde vapor is investigated. Planetary ball milling under dry conditions and subsequent water addition realize shells with a crystallite size (35-90 nm) and equivalent size of the specific surface area (41-191 nm) in the nanometer range. The comminution properties of the scallop shells, especially the grinding limit, are estimated via a semi-theoretical consideration for the grinding limit. Additionally, the adsorbed amount of gaseous formaldehyde using a self-designed adsorption line is estimated. The nanosized scallop shells exhibit an excellent adsorption performance rather than the feed shell, and the adsorbed amount is positively correlated with the specific surface area of the shell. Hence, scallop shells have potential to adsorb volatile organic compounds.

  4. Unidirectional mechanism for reentrant activity generation in excitable media.

    Science.gov (United States)

    Sendiña-Nadal, Irene; de Castro, Maite; Sagués, Francesc; Gómez-Gesteira, Moncho

    2002-07-01

    A closed excitable pathway with one point-to-point connection is used to generate a rotating wave both in experiments using the photosensitive Belousov-Zhabotinsky system and numerically with an Oregonator reaction-diffusion model. By varying the excitability and geometrical properties of the medium, propagation can be made unidirectional or bidirectional, giving rise, respectively, to the existence or not of sustained reentrant activity in a closed excitable track.

  5. Recent questions about the excitation mechanism at intermediate velocity

    Energy Technology Data Exchange (ETDEWEB)

    Adoui, L.; Chabot, M.; Chetioui, A.; Despiney, I.; Guiraud, L.; L' Hoir, A.; Politis, M.F.; Rozet, J.P.; Schmaus, D.; Stephan, C.; Touati, A.; Vernhet, D.; Wohrer, K.; Cassimi, A.; Grandin, J.P.; Ramillon, J.M.; Macias, A.; Martin, F.; Riera, A.; Sanz, J.L.; Gayet, R. (G.P.S., Univ. Paris 7 et Paris 6, 75 Paris (France) CIRIL, 14 Caen (France) Dept. de Quimica, Faculdad de Ciencias, Univ. Autonoma de Madrid (Spain) Lab. des Collisions Atomiques, Univ. de Bordeaux 1, 33 Talence (France))

    1994-04-01

    For both fundamental reasons and potential applications, the process of K-excitation by heavy ions at intermediate velocity has been re-investigated experimentally and theoretically and the main results are described here. The nature and the origin of the so-called saturation effect'' at high exciting charge is not yet elucidated. The importance of K-excitation is outlined in connection with problems of radiation damage. (orig.)

  6. Memory in an Excitable Medium: A Mechanism for Spiral Wave Breakup in the Low-excitability Limit

    Science.gov (United States)

    Fenton, Flavio H.; Evans, Steven J.; Hastings, Harold M.

    2000-03-01

    The electrophysiology of cardiac tissue is altered during acute myocardial ischemia, making the tissue less excitable but nonetheless more susceptible to tachyarrythmias which frequently degenerate to fibrillation within several seconds. The transition from tachycardia to fibrillation is associated with the breakup of spiral waves into multiple offspring and has been linked to steep restitution (slope > 1) of action potential duration (APD). However restitution curves become so flat during ischemia that this mechanism does not apply. We found that when the response of APD to the history of recent activations is included in a model of excitable media, spiral wave breakup can occur in ischemia even when the slope in APD restitutions is < 1.

  7. Structural characteristics and oil-removal mechanisms of the adsorbents made from petrochemical sludge

    Institute of Scientific and Technical Information of China (English)

    LIU Jian-bin; SANG Yi-ming; TAN Wen-jie; HE Xu-wen; LI Fa-sheng

    2004-01-01

    A new type of carbon-inorganic absorbent with good oil-removing performance is prepared by sintering and activating petrochemical sludge. Of the absorbents prepared by three different methods (non-activated, vapor /840 ℃/6 h, CO2/1 000 ℃/2 h), the one prepared by the second method is the best in oil-removing, which can remove 60% of oil from petrochemical wastewater with a concentration of 76.42 mg/L. X-ray Diffraction (XRD) analysis shows that the constituents of the adsorbents are basically similar to those of inorganic granulating materials, such as SiO2, Al2O3, orthoclase feldspar, iron ore, etc. Composition analysis reveals that the activated absorbent has a large specific surface area with a high carbon content in activated compositions and a good oil-removing capability.

  8. Preparation and adsorption mechanism of rare earth-doped adsorbent for arsenic(V) removal from groundwater

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Yu; (张; 昱); YANG; Min; (杨; 敏); GAO; Yingxin; (高迎新); WANG; Feng; (王; 峰); HUANG; Xia; (黄; 霞)

    2003-01-01

    Several types of rare earth metal-doped iron oxide adsorbents were prepared and their arsenic(As(V)) removal performance was evaluated. The cerium(Ce(IV))-doped adsorbent (CFA4) has the highest adsorption capacity. The crystalline properties (XRD), surface charge, FTIR and X-ray photoelectron spectroscopy (XPS) were determined for CFA. Based on the results of XRD, introduction of Ce(IV) ions into Fe(II)/Fe(III) systems results in the co-existence of Ce and Fe with the formation of minicrystals. The pHzpc (the pH value at which surface charge is zero) of CFA is 5.8 by the measurement of the acid-base titration method. By FTIR measurements, it is shown that the substitution of M-OH groups at CFA surface by As(V) ions plays an important role in the adsorption mechanisms of CFA. XPS spectra of CFA before and after adsorption of As demonstrate that Fe atom might be activated for As removal as a result of rare earth metal (Ce) doping.

  9. Excitation of autoionizing states of helium by 100 keV proton impact: II. Excitation cross sections and mechanisms of excitation

    Energy Technology Data Exchange (ETDEWEB)

    Godunov, A.L. [Department of Physics, Tulane University, New Orleans, LA 70118-5698 (United States); Ivanov, P.B.; Schipakov, V.A. [Troitsk Institute of Innovation and Fusion Research Troitsk, Moscow region, 142092 (Russian Federation); Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A. [Laboratoire Collisions, Agregats, Reactivite, IRSAMC, UMR 5589, CNRS-Universite Paul Sabatier, 31062 Toulouse Cedex (France)

    2000-03-14

    Mechanisms of two-electron excitation of the (2s{sup 2}){sup 1} S, (2p{sup 2} ){sup 1} D and (2s2p){sup 1} P autoionizing states of helium are studied both experimentally and theoretically. It is shown that an explicit introduction of a kinematic factor, with a process-specific phase leads to a productive parametrization of experimental cross sections of ionization, allowing one to extract cross sections of excitation of autoionizing states. Using a new fitting procedure together with the proposed parametrization made it possible to obtain the excitation cross sections and magnetic sublevel population from electron spectra as well as, for the first time, to resolve the contribution of resonance and interference components to resonance profiles. Interference with direct ionization is shown to contribute significantly into resonance formation even for backward ejection angles. We demonstrate theoretically that the excitation cross sections thus extracted from experimental electron spectra hold information about the interaction of autoionizing states with an adjacent continuum. (author)

  10. The Excitation Mechanism of Praseodymium-Doped Semiconductors

    Science.gov (United States)

    1994-06-01

    Pomrenke et al., 1989:339; Ennen et al., 1983:943; Pomrenke et al., 1991b:415), while neodymiuml ha mission line at 1.1 microns in GaP and GaAs ( Muller et...insulator bandgaps are so large as to pose an effective barrier between the bands. In a metal, conducto of electrons takes place in the partially...34 Soviet Physics-Semiconductors 17(10): 1201 (October 1983). 148 Emen, H., J. Wagner, H. D. Muller , and R. S. Smith. "Photoluminescece Excitation

  11. Different methods in TiO{sub 2} photodegradation mechanism studies: Gaseous and TiO{sub 2}-adsorbed phases

    Energy Technology Data Exchange (ETDEWEB)

    Deveau, Pierre-Alexandre [Groupe de Recherche sur l' Environnement et la Chimie Atmospherique, Universite Joseph Fourier Grenoble I (France); Arsac, Fabrice [Laboratoire d' Application de la Chimie a l' Environnement, Universite Claude Bernard Lyon I (France); Thivel, Pierre-Xavier [Groupe de Recherche sur l' Environnement et la Chimie Atmospherique, Universite Joseph Fourier Grenoble I (France)]. E-mail: Pierre-Xavier.Thivel@ujf-grenoble.fr; Ferronato, Corinne [Laboratoire d' Application de la Chimie a l' Environnement, Universite Claude Bernard Lyon I (France); Delpech, Francoise [Groupe de Recherche sur l' Environnement et la Chimie Atmospherique, Universite Joseph Fourier Grenoble I (France); Chovelon, Jean-Marc [Laboratoire d' Application de la Chimie a l' Environnement, Universite Claude Bernard Lyon I (France); Kaluzny, Pascal [Tera Environnement, Grenoble (France); Monnet, Christine [Ahlstrom Research and Services, Pont Eveque (France)

    2007-06-18

    The development of photocatalysis processes offers a significant number of perspectives especially in gaseous phase depollution. It is proved that the photo-oxidizing properties of photocatalyst (TiO{sub 2}) activated by UV plays an important role in the degradation of volatile organic compounds (VOC). Heterogeneous photocatalysis is based on the absorption of UV radiations by TiO{sub 2}. This phenomenon leads to the degradation and the oxidation of the compounds, according to a mechanism that associates the pollutant's adsorption on the photocatalyst and radical degradation reactions. The main objective of the study is the understanding of the TiO{sub 2}-photocatalysis phenomenon including gaseous and adsorbed phase mechanisms. Results obtained with three different apparatus are compared; gaseous phases are analysed and mechanisms at the gaseous phase/photocatalyst interface are identified. This study leads to improve understanding of various mechanisms during pollutant photodegradation: adsorption of pollutants on TiO{sub 2} first takes place, then desorption and/or photodegradation, and finally, desorption of degradation products on TiO{sub 2}. The association of analytical methods and different processes makes the determination of all parameters that affect the photocatalytic process possible. Mastering these parameters is fundamental for the design and construction of industrial size reactors that aim to purify the atmosphere.

  12. Different methods in TiO2 photodegradation mechanism studies: gaseous and TiO2-adsorbed phases.

    Science.gov (United States)

    Deveau, Pierre-Alexandre; Arsac, Fabrice; Thivel, Pierre-Xavier; Ferronato, Corinne; Delpech, Françoise; Chovelon, Jean-Marc; Kaluzny, Pascal; Monnet, Christine

    2007-06-18

    The development of photocatalysis processes offers a significant number of perspectives especially in gaseous phase depollution. It is proved that the photo-oxidizing properties of photocatalyst (TiO(2)) activated by UV plays an important role in the degradation of volatile organic compounds (VOC). Heterogeneous photocatalysis is based on the absorption of UV radiations by TiO(2). This phenomenon leads to the degradation and the oxidation of the compounds, according to a mechanism that associates the pollutant's adsorption on the photocatalyst and radical degradation reactions. The main objective of the study is the understanding of the TiO(2)-photocatalysis phenomenon including gaseous and adsorbed phase mechanisms. Results obtained with three different apparatus are compared; gaseous phases are analysed and mechanisms at the gaseous phase/photocatalyst interface are identified. This study leads to improve understanding of various mechanisms during pollutant photodegradation: adsorption of pollutants on TiO(2) first takes place, then desorption and/or photodegradation, and finally, desorption of degradation products on TiO(2). The association of analytical methods and different processes makes the determination of all parameters that affect the photocatalytic process possible. Mastering these parameters is fundamental for the design and construction of industrial size reactors that aim to purify the atmosphere.

  13. Boltzmann statistical consideration on the excitation mechanism of iron atomic lines emitted from glow discharge plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Lei; Kashiwakura, Shunsuke; Wagatsuma, Kazuaki, E-mail: wagatuma@imr.tohoku.ac.jp

    2011-11-15

    A Boltzmann plot for many iron atomic lines having excitation energies of 3.3-6.9 eV was investigated in glow discharge plasmas when argon or neon was employed as the plasma gas. The plot did not show a linear relationship over a wide range of the excitation energy, but showed that the emission lines having higher excitation energies largely deviated from a normal Boltzmann distribution whereas those having low excitation energies (3.3-4.3 eV) well followed it. This result would be derived from an overpopulation among the corresponding energy levels. A probable reason for this is that excitations for the high-lying excited levels would be caused predominantly through a Penning-type collision with the metastable atom of argon or neon, followed by recombination with an electron and then stepwise de-excitations which can populate the excited energy levels just below the ionization limit of iron atom. The non-thermal excitation occurred more actively in the argon plasma rather than the neon plasma, because of a difference in the number density between the argon and the neon metastables. The Boltzmann plots yields important information on the reason why lots of Fe I lines assigned to high-lying excited levels can be emitted from glow discharge plasmas. - Highlights: Black-Right-Pointing-Pointer This paper shows the excitation mechanism of Fe I lines from a glow discharge plasma. Black-Right-Pointing-Pointer A Boltzmann distribution is studied among iron lines of various excitation levels. Black-Right-Pointing-Pointer We find an overpopulation of the high-lying energy levels from the normal distribution. Black-Right-Pointing-Pointer It is caused through Penning-type collision of iron atom with argon metastable atom.

  14. David Adler Lectureship Award Talk: Friction and energy dissipation mechanisms in adsorbed molecules and molecularly thin films

    Science.gov (United States)

    Krim, Jacqueline

    2015-03-01

    Studies of the fundamental origins of friction have undergone rapid progress in recent years, with the development of new experimental and computational techniques for measuring and simulating friction at atomic length and time scales. The increased interest has sparked a variety of discussions and debates concerning the nature of the atomic-scale and quantum mechanisms that dominate the dissipative process by which mechanical energy is transformed into heat. Measurements of the sliding friction of physisorbed monolayers and bilayers can provide information on the relative contributions of these various dissipative mechanisms. Adsorbed films, whether intentionally applied or present as trace levels of physisorbed contaminants, moreover are ubiquitous at virtually all surfaces. As such, they impact a wide range of applications whose progress depends on precise control and/or knowledge of surface diffusion processes. Examples include nanoscale assembly, directed transport of Brownian particles, material flow through restricted geometries such as graphene membranes and molecular sieves, passivation and edge effects in carbon-based lubricants, and the stability of granular materials associated with frictional and frictionless contacts. Work supported by NSFDMR1310456.

  15. Study on loss mechanism of SMA tracheal stent subjected to cough excitation.

    Science.gov (United States)

    Zhu, Zhiwen; Li, Xinmiao; Xu, Jia

    2015-01-01

    A kind of Ti-Ni shape memory alloy (SMA) hysteretic nonlinear model is developed, and the loss mechanism of a SMA tracheal stent subjected to cough excitation is studied in this paper. Nonlinear differential items are introduced to express the hysteretic phenomena of Ti-Ni SMA, and the fitting effect of the SMA constitutive model on the experimental data is proved by the partial least-square regression method. The nonlinear dynamic model of a Ti-Ni SMA tracheal stent subjected to cough excitation is developed, and the system's dynamic response is obtained. The numerical results show that the system's vibration is little in weak excitation, becomes large with the increase of the stochastic excitation, and finally becomes little again with the further increase of the stochastic excitation; the stochastic resonance phenomenon occurs in the process, which may cause stent fracture or loss.

  16. Reevaluating the mechanism of excitation energy regulation in iron-starved cyanobacteria.

    Science.gov (United States)

    Chen, Hui-Yuan S; Liberton, Michelle; Pakrasi, Himadri B; Niedzwiedzki, Dariusz M

    2017-03-01

    This paper presents spectroscopic investigations of IsiA, a chlorophyll a-binding membrane protein produced by cyanobacteria grown in iron-deficient environments. IsiA, if associated with photosystem I, supports photosystem I in light harvesting by efficiently transferring excitation energy. However, if separated from photosystem I, IsiA exhibits considerable excitation quenching observed as a substantial reduction of protein-bound chlorophyll a fluorescence lifetime. Previous spectroscopic studies suggested that carotenoids are involved in excitation energy dissipation and in addition play a second role in this antenna complex by supporting chlorophyll a in light harvesting by absorbing in the spectral range inaccessible for chlorophyll a and transferring excitation to chlorophylls. However, this investigation does not support these proposed roles of carotenoids in this light harvesting protein. This study shows that carotenoids do not transfer excitation energy to chlorophyll a. In addition, our investigations do not support the hypothesis that carotenoids are quenchers of the excited state of chlorophyll a in this protein complex. We propose that quenching of chlorophyll a fluorescence in IsiA is maintained by pigment-protein interaction via electron transfer from an excited chlorophyll a to a cysteine residue, an excitation quenching mechanism that was recently proposed to regulate the light harvesting capabilities of the bacteriochlorophyll a-containing Fenna-Mathews-Olson protein from green sulfur bacteria. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Mechanical threshold as a factor in excitation-contraction coupling.

    Science.gov (United States)

    Taylor, S R; Preiser, H; Sandow, A

    1969-09-01

    I(-), CH(3)SO(4) (-), and ClO(4) (-), like other previously studied type A twitch potentiators (Br(-), NO(3) (-), SCN(-), and caffeine), lower the mechanical threshold in K depolarization contractures of frog skeletal muscle. In potentiated twitches, I(-), Br(-), CH(3)SO(4) (-), ClO(4), and SCN, as already reported for NO(3) (-) and caffeine, slightly shorten the latent period (L) and considerably increase the rate of tension development (dP/dt) during the first few milliseconds of the contraction period. Divalent cations (8 mM Ca(2+), 0.5-1.0 mM Zn(2+) and Cd(2+)) raise the mechanical threshold of contractures, and correspondingly affect the twitch by depressing the tension output, increasing L, and decreasing the early dP/dt, thus acting oppositely to the type A potentiators. These various results form a broad, consistent pattern indicating that electromechanical coupling in the twitch is conditioned by a mechanical threshold as it is in the contracture, and suggesting that the lower the threshold, in reference to the raised threshold under the action of the divalent cations, the more effective is a given action potential in activating the twitch as regards especially both its early rate and peak magnitude of tension development. The results suggest that the direct action by which the various agents affect the level of the mechanical threshold involves effects on E-C coupling processes of the T tubular and/or the sarcoplasmic reticulum which control the release of Ca for activating contraction.

  18. The mechanism of the NH4 ion oscillatory transport across the excitable cell membrane

    Directory of Open Access Journals (Sweden)

    Radenović Čedomir N.

    2005-01-01

    Full Text Available This paper presents results on typical oscillations of the membrane potential induced by the excitation of the cell membrane by different concentrations of the NH4Cl solution. The existence of four classes of oscillations of the membrane potential and several different single and local impulses rhythmically occurring were determined. It is known that the oscillatory processes of the membrane potential are in direct dependence on oscillatory transport processes of NH4 and Cl ions across the excitable cell membrane. A hypothesis on a possible mechanism of oscillatory transport processes of NH4 and Cl ions across the excitable cell membrane is also presented.

  19. Mechanical Coupling and Excitation of Hair Cells—A Moderated Discussion

    Science.gov (United States)

    Cheatham, Mary Ann; Freeman, Dennis M.

    2011-11-01

    A discussion moderated by the authors on the topic "Hair Cells: Mechanical Coupling and Excitation" was held on 17 July 2011 at the 11th International Mechanics of Hearing Workshop in Williamstown, Massachusetts. The paper provides an edited transcript of the session.

  20. Mechanisms of anomalous interaction between the intraatomic excitations and conduction electrons in rare-earth intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Kikoin, K.A. (AN SSSR, Moscow USSR. Kurchatov Inst. (USSR)); Khomskii, D.I. (AN SSSR, Moscow USSR. Lebedev Physical Inst. (USSR))

    1988-12-01

    Essentially atomic electron-polaron mechanism reducing the magnetic moments of rare-earth and actinide elements in intermetallic compounds is proposed. This mechanism is effective for the atoms possessing soft intraatomic excitations in f- and d-channels (Ce,U,Eu,Yb).

  1. [Study on mechanism of inactivated cider yeast adsorbing patulin by Fourier transform infrared spectroscopy].

    Science.gov (United States)

    Guo, Cai-Xia; Yue, Tian-Li; Yuan, Ya-Hong; Wang, Zhou-Li; Wang, Ling; Cai, Rui

    2013-03-01

    The mechanism of patulin adsorption by inactivated cider yeast was studied by chemical modification and FTIR The results of patulin removal by various modified yeast biomass showed that the ability of patulin biosorption by acetone-treated yeast and NaOH-treated yeast increased siginificantly, while the methylation of amino group and esterification of carboxylate functionalities of yeast cell surface caused a decrease in patulin binding, which indicated that amino group and carboxyl group presented in the cell walls of yeast might be involved in the binding of patulin to the yeast. The FTIR analysis indicated that the main functional groups were amino group, carboxyl group and hydroxy group which are associated with protein and polysaccharides.

  2. Investigation of Sterilization Mechanism for Geobacillus stearothermophilus Spores with Plasma-Excited Neutral Gas

    Science.gov (United States)

    Matsui, Kei; Ikenaga, Noriaki; Sakudo, Noriyuki

    2015-09-01

    We investigate the mechanism of the sterilization with plasma-excited neutral gas that uniformly sterilizes both the space and inner wall of the reactor chamber at atmospheric pressure. Only reactive neutral species such as plasma-excited gas molecules and radicals are separated from the plasma and sent to the reactor chamber for chemical sterilization. The plasma source gas uses humidified mixture of nitrogen and oxygen. Geobacillus stearothermophilus spores and tyrosine which is amino acid are treated by the plasma-excited neutral gas. Shape change of the treated spore is observed by SEM, and chemical modification of the treated tyrosine is analyzed by HPLC. As a result, the surface of the treated spore shows depression. Hydroxylation and nitration of tyrosine are shown after the treatment. For these reasons, we believe that the sterilization with plasma-excited neutral gas results from the deformation of spore structure due to the chemical modification of amino acid.

  3. [Effects and the mechanisms of cardiac short-term memory on cellular electrical excitability].

    Science.gov (United States)

    Wang, Juan; Zhang, Hong; Yang, Lin; Wu, Ruijuan; Zhang, Zhenxi

    2012-08-01

    Electrical instability easily induces a unidirectional conduction block, resulting in ventricular tachycardia (VT) or even fibrillation (VF). Cardiac memory affects dynamic electrical characteristics through previous pacing so that it makes the memory important in arrhythmia study. This paper investigates the impact of the rapid pacing duration on cellular excitability and its mechanism. Based on the canine endocardial single cell, a one-dimensional tissue model was developed. Simulations were realized with OpenMP parallel programming method. The results showed that with repetitive pacing, the cellular excitability became low while the conduction velocity decreased. Accumulation of intracellular [Ca2+]i and [Na+]i and depletion of [K+]i led to the shift of membrane current-voltage curves, changing the membrane resistance. Excitability determined by the resistance at the large width of stimulus pulse, therefore, it suggested that [Ca2+]i and [K+]i-induced memory formed the ionic substrates for the alteration of excitability.

  4. Nontrivial effects of high-frequency excitation for strongly damped mechanical systems

    DEFF Research Database (Denmark)

    Fidlin, Alexander; Thomsen, Jon Juel

    Some nontrivial effects are investigated, which can occur if strongly damped mechanical systems are subjected to strong high-frequency (HF) excitation. The main result is a theoretical prediction, supported by numerical simulation, that for such systems the (quasi-)equilibrium states can change...... that can be substantial (depending on the strength of the HF excitation) for finite values of the damping. The analysis is focused on the differences between the classic results for weakly damped systems, and new effects for which the strong damping terms are responsible. The analysis is based...... on a slightly modified averaging technique, and includes an elementary example of an elliptically excited pendulum for illustration, alongside with a generalization to a broader class of strongly damped dynamical systems with HF excitation. As an application example, the nontrivial behavior of a classical...

  5. Nontrivial effects of high-frequency excitation for strongly damped mechanical systems

    DEFF Research Database (Denmark)

    Fidlin, Alexander; Thomsen, Jon Juel

    2008-01-01

    Some non-trivial effects are investigated, which can occur if strongly damped mechanical systems are subjected to strong high-frequency (HF) excitation. The main result is a theoretical prediction, supported by numerical simulation, that for such systems the (quasi-)equilibrium states can change...... that can be substantial depending on the strength of the HF excitation) for finite values of the damping. The analysis is focused on the differences between the classic results for weakly damped systems, and new effects for which the strong damping terms are responsible. The analysis is based on a slightly...... modified averaging technique, and includes an elementary example of an elliptically excited pendulum for illustration, alongside with a generalization to a broader class of strongly damped dynamical systems with HF excitation. As an application example, the nontrivial behavior of a classical optimally...

  6. Mechanisms for strong adsorption of tetracycline to carbon nanotubes: a comparative study using activated carbon and graphite as adsorbents.

    Science.gov (United States)

    Ji, Liangliang; Chen, Wei; Duan, Lin; Zhu, Dongqiang

    2009-04-01

    Significant concerns have been raised over the presence of antibiotics including tetracyclines in aquatic environments. We herein studied single-walled carbon nanotubes (SWNT) and multi-walled carbon nanotubes (MWNT) as potential effective adsorbents for removal of tetracycline from aqueous solution. In comparison, a nonpolar adsorbate, naphthalene, and two other carbonaceous adsorbents, pulverized activated carbon (AC) and nonporous graphite, were used. The observed adsorbent-to-solution distribution coefficient (Kd, L/kg) of tetracycline was in the order of 10(4)-10(6) L/kg for SWNT, 10(3)-10(4) L/kg for MWNT, 10(3)-10(4) L/kg for AC, and 10(3)-10(5) L/kg for graphite. Upon normalization for adsorbent surface area, the adsorption affinity of tetracycline decreased in the order of graphite/ SWNT > MWNT > AC. The weaker adsorption of tetracycline to AC indicates that for bulky adsorbates adsorption affinity is greatly affected by the accessibility of available adsorption sites. The remarkably strong adsorption of tetracycline to the carbon nanotubes and to graphite can be attributed to the strong adsorptive interactions (van der Waals forces, pi-pi electron-donor-acceptor interactions, cation-pi bonding) with the graphene surface. Complexation between tetracycline and model graphene compounds (naphthalene, phenanthrene, pyrene) in solution phase was verified by ring current-induced 1H NMR upfield chemical shifts of tetracycline moieties.

  7. 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.

  8. 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)

  9. Excitation-transcription coupling in sympathetic neurons and the molecular mechanism of its initiation.

    Science.gov (United States)

    Ma, Huan; Groth, Rachel D; Wheeler, Damian G; Barrett, Curtis F; Tsien, Richard W

    2011-05-01

    In excitable cells, membrane depolarization and activation of voltage-gated Ca²+ (Ca(V)) channels trigger numerous cellular responses, including muscle contraction, secretion, and gene expression. Yet, while the mechanisms underlying excitation-contraction and excitation-secretion coupling have been extensively characterized, how neuronal activity is coupled to gene expression has remained more elusive. In this article, we will discuss recent progress toward understanding the relationship between patterns of channel activity driven by membrane depolarization and activation of the nuclear transcription factor CREB. We show that signaling strength is steeply dependent on membrane depolarization and is more sensitive to the open probability of Ca(V) channels than the Ca²+ entry itself. Furthermore, our data indicate that by decoding Ca(V) channel activity, CaMKII (a Ca²+/calmodulin-dependent protein kinase) links membrane excitation to activation of CREB in the nucleus. Together, these results revealed some interesting and unexpected similarities between excitation-transcription coupling and other forms of excitation-response coupling.

  10. Assessment of excitation mechanisms and structural flexibility influence in excitation propagation in multi-megawatt wind turbine gearboxes: Experiments and flexible multibody model optimization

    Science.gov (United States)

    Helsen, Jan; Marrant, Ben; Vanhollebeke, Frederik; De Coninck, Filip; Berckmans, Dries; Vandepitte, Dirk; Desmet, Wim

    2013-10-01

    Reliable gearbox design calculations require sufficient insight in gearbox dynamics, which is determined by the interaction between the different excitation mechanisms and the gearbox modal behavior. Both external gearbox excitation originating from the wind turbine drive train and internal gearbox excitation are important. Moreover with regard to the modal behavior the different gearbox structural components: planet carrier, shafts and housing are of influence. The main objective of this article is the experimental investigation of the interaction between the different excitation mechanisms and the gearbox modal behavior. The insights gathered are used to prove the need for accurate gear mesh representation and structural flexibility within the corresponding flexible multibody gearbox simulation model. Experiments are conducted on a dynamic 13.2 MW test facility on which two multi-megawatt wind turbine gearboxes are placed back to back and subjected to a speed run-up. Measurement sensors consist of bearing displacement sensors, torque sensors, encoders and accelerometers distributed over the gearbox. Excitation order amplitudes on different locations in the gearbox are determined by means of a Time Varying Discrete Fourier Transform (TVDFT) order tracking on the measured sensor signals. Moreover the propagation of this excitation throughout the gearbox is assessed. Relating the orders to the corresponding excitation source allows the definition of order influence regions within the gearbox. The interaction between the gear mesh order excitation and structural flexibility is shown.

  11. Photon-driven charge transfer and Herzberg-Teller vibronic coupling mechanism in surface-enhanced Raman scattering of p-aminothiophenol adsorbed on coinage metal surfaces: A density functional theory study

    Science.gov (United States)

    Zhao, Liu-Bin; Huang, Rong; Huang, Yi-Fan; Wu, De-Yin; Ren, Bin; Tian, Zhong-Qun

    2011-10-01

    The chemical enhancement effects in surface-enhanced Raman scattering of p-aminothiophenol (PATP, it is also called p-mercaptoaniline or p-aminobenzenthiol) adsorbed on coinage metal surfaces with single thiol end or trapped into metal-molecule-metal junctions with both thiol and amino groups have been studied by density functional theory (DFT). We focus on the influence of photon-driven charge transfer (PDCT) and chemical bonding interaction (ground-state charge transfer) on the intensity enhancement and frequency shift in the surface Raman spectra of PATP. For comparison, the electronic structures and transitions of free PATP are studied first. The simulated pre-resonance UV Raman spectra illustrate that b2 modes can be selectively enhanced via vibronic coupling. The fundamentals of all the b2 modes in the frequency range of 1000 to 1650 cm-1 are assigned in detail. For PATP adsorbed on coinage metals, the time-dependent-DFT calculations indicate that the low-lying CT excited state arises from the π bonding orbital of molecule to the antibonding s orbital of metallic clusters. Our results further show that the PDCT resonance-like Raman scattering mechanism enhances the totally symmetric vibrational modes and the NH2 wagging vibration. Finally, the effect of chemical bonding interaction is also investigated. The amino group binding to metals gives a characteristic band of the NH2 wagging mode with the large blueshift frequency and an intense Raman signal.

  12. Kinetics and Mechanism of the Photo-oxidation of Thiophene by O2 Adsorbed on Molecular Sieves

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Photochemical oxidation of thiophene in n-octane/water extraction system using O2 as oxidant was studied.The reaction mechanism of thiophene oxidation was proposed. Results obtained here can be used as the reference for the oxidative desulfurization of gasoline because thiophene is one of the main components containing sulfur in fluid catalytic cracking gasoline. Thiophene dissolved in n-octane was photodecomposed and removed into the water phase at ambient temperature and atmospheric pressure. A 500 W high-pressure mercury lamp (main wave length 365 nm, 0.22kW/m) was used as light source for irradiation, and air was introduced by a gas pump to supply O2. Thiophene can be photo-oxidized to sulfone, oxalic acid, SO42-, and CO2. The desulfurization yield of thiophene in n-octane is 58.9%under photo-irradiation for 5 h under the conditions of air flow at 150 mL/min and V(water)∶ V(n-octane)= 1∶1. It can be improved to 92.3% by adding 0.15 g zeoliteartificial into 100 mL reaction system, which is the adsorbent for O2 and thiophene. And under such conditions, the photo-oxidation kinetics of thiophene with O2/zeoliteartificial is first-order with an apparent rate constant of 0.5047 h-1 and a half-time of 1.37 h. The sulfur content can be depressed from 800μL/L to less than 62 μL/L.

  13. Highly effective removal of mercury and lead ions from wastewater by mercaptoamine-functionalised silica-coated magnetic nano-adsorbents: Behaviours and mechanisms

    Science.gov (United States)

    Bao, Shuangyou; Li, Kai; Ning, Ping; Peng, Jinhui; Jin, Xu; Tang, Lihong

    2017-01-01

    A novel hybrid material was fabricated using mercaptoamine-functionalised silica-coated magnetic nanoparticles (MAF-SCMNPs) and was effective in the extraction and recovery of mercury and lead ions from wastewater. The properties of this new magnetic material were explored using various characterisation and analysis methods. Adsorbent amounts, pH levels and initial concentrations were optimised to improve removal efficiency. Additionally, kinetics, thermodynamics and adsorption isotherms were investigated to determine the mechanism by which the fabricated MAF-SCMNPs adsorb heavy metal ions. The results revealed that MAF-SCMNPs were acid-resistant. Sorption likely occurred by chelation through the amine group and ion exchange between heavy metal ions and thiol functional groups on the nanoadsorbent surface. The equilibrium was attained within 120 min, and the adsorption kinetics showed pseudo-second-order (R2 > 0.99). The mercury and lead adsorption isotherms were in agreement with the Freundlich model, displaying maximum adsorption capacities of 355 and 292 mg/g, respectively. The maximum adsorptions took place at pH 5-6 and 6-7 for Hg(II) and Pb(II), respectively. The maximum adsorptions were observed at 10 mg and 12 mg adsorbent quantities for Hg(II) and Pb(II), respectively. The adsorption process was endothermic and spontaneous within the temperature range of 298-318 K. This work demonstrates a unique magnetic nano-adsorbent for the removal of Hg(II) and Pb(II) from wastewater.

  14. Quantum mechanics of excitation transport in photosynthetic complexes: a key issues review.

    Science.gov (United States)

    Levi, Federico; Mostarda, Stefano; Rao, Francesco; Mintert, Florian

    2015-07-01

    For a long time microscopic physical descriptions of biological processes have been based on quantum mechanical concepts and tools, and routinely employed by chemical physicists and quantum chemists. However, the last ten years have witnessed new developments on these studies from a different perspective, rooted in the framework of quantum information theory. The process that more, than others, has been subject of intense research is the transfer of excitation energy in photosynthetic light-harvesting complexes, a consequence of the unexpected experimental discovery of oscillating signals in such highly noisy systems. The fundamental interdisciplinary nature of this research makes it extremely fascinating, but can also constitute an obstacle to its advance. Here in this review our objective is to provide an essential summary of the progress made in the theoretical description of excitation energy dynamics in photosynthetic systems from a quantum mechanical perspective, with the goal of unifying the language employed by the different communities. This is initially realized through a stepwise presentation of the fundamental building blocks used to model excitation transfer, including protein dynamics and the theory of open quantum system. Afterwards, we shall review how these models have evolved as a consequence of experimental discoveries; this will lead us to present the numerical techniques that have been introduced to quantitatively describe photo-absorbed energy dynamics. Finally, we shall discuss which mechanisms have been proposed to explain the unusual coherent nature of excitation transport and what insights have been gathered so far on the potential functional role of such quantum features.

  15. Quantum mechanics of excitation transport in photosynthetic complexes: a key issues review

    Science.gov (United States)

    Levi, Federico; Mostarda, Stefano; Rao, Francesco; Mintert, Florian

    2015-07-01

    For a long time microscopic physical descriptions of biological processes have been based on quantum mechanical concepts and tools, and routinely employed by chemical physicists and quantum chemists. However, the last ten years have witnessed new developments on these studies from a different perspective, rooted in the framework of quantum information theory. The process that more, than others, has been subject of intense research is the transfer of excitation energy in photosynthetic light-harvesting complexes, a consequence of the unexpected experimental discovery of oscillating signals in such highly noisy systems. The fundamental interdisciplinary nature of this research makes it extremely fascinating, but can also constitute an obstacle to its advance. Here in this review our objective is to provide an essential summary of the progress made in the theoretical description of excitation energy dynamics in photosynthetic systems from a quantum mechanical perspective, with the goal of unifying the language employed by the different communities. This is initially realized through a stepwise presentation of the fundamental building blocks used to model excitation transfer, including protein dynamics and the theory of open quantum system. Afterwards, we shall review how these models have evolved as a consequence of experimental discoveries; this will lead us to present the numerical techniques that have been introduced to quantitatively describe photo-absorbed energy dynamics. Finally, we shall discuss which mechanisms have been proposed to explain the unusual coherent nature of excitation transport and what insights have been gathered so far on the potential functional role of such quantum features.

  16. Detailed theoretical investigation of excited-state intramolecular proton transfer mechanism of a new chromophore II

    Science.gov (United States)

    Cui, Yanling; Li, Yafei; Dai, Yumei; Verpoort, Francis; Song, Peng; Xia, Lixin

    2016-02-01

    In the present work, TDDFT has been used to investigate the excited state intramolecular proton transfer (ESIPT) mechanism of a new chromophore II [Sensors and Actuators B: Chemical. 202 (2014) 1190]. The calculated absorption and fluorescence spectra agree well with experimental results. In addition, two types of II configurations are found in the first excited state (S1), which can be ascribed to the ESIPT reaction. Based on analysis of the calculated infrared (IR) spectra of O-H stretching vibration as well as the hydrogen bonding energies, the strengthening of the hydrogen bond in the S1 state has been confirmed. The frontier molecular orbitals (MOs), Hirshfeld charge distribution and the Natural bond orbital (NBO) have also been analyzed, which displays the tendency of the ESIPT process. Finally, potential energy curves of the S0 and S1 states were constructed, demonstrating that the ESIPT reaction can be facilitated based on the photo-excitation.

  17. pH-controlled quaternary ammonium herbicides capture/release by carboxymethyl-β-cyclodextrin functionalized magnetic adsorbents: Mechanisms and application

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chang; Wang, Peng [Department of Applied Chemistry, China Agricultural University, No. 2 West Yuanmingyuan Road, Beijing 100193 (China); Shen, Zhigang [Zhong Nong Fa Seed Industry Group Co. Ltd, Beijing 600313 (China); Liu, Xueke; Zhou, Zhiqiang [Department of Applied Chemistry, China Agricultural University, No. 2 West Yuanmingyuan Road, Beijing 100193 (China); Liu, Donghui, E-mail: liudh@cau.edu.cn [Department of Applied Chemistry, China Agricultural University, No. 2 West Yuanmingyuan Road, Beijing 100193 (China)

    2015-12-11

    In our work, the pH-controlled magnetic solid phase extraction for the determination of paraquat and diquat was introduced firstly. Furthermore, to clarify the mechanism of carboxymethyl-β-cyclodextrin functionalized magnetic adsorbents, we studied the pH-responsive supramolecular interaction between carboxymethyl-β-cyclodextrin (CM-β-CD) and paraquat/diquat by ultraviolet–visible (UV–vis) spectroscopy and nuclear magnetic resonance (NMR) experiment, and the energy-minimized structures were also obtained. Then, the functional group CM-β-CD was modified on the surface of magnetic materials to synthesize the adsorbent. The Fourier transform infrared spectrum (FT-IR) results proved the successful modification of CM-β-CD. Thus, this absorbent was applied for the determination of paraquat and diquat in water. Under the optimal condition, limits of detection (LODs) of paraquat and diquat were 0.8 μg L{sup −1} and 0.9 μg L{sup −1}, relative standard deviations (RSD) and recoveries varied 0.7–4.6% and 86.5–106.6%, respectively. Good recoveries (70.2–100.0%) and low RSD (1.7–9.6%) were achieved in analyzing spiked water samples. Furthermore, with the capillary electrophoresis (CE) as the analyser, the whole analytical process did not need the attendance of organic solvents. - Highlights: • The carboxymethyl-β-cyclodextrin functionalized magnetic adsorbents were synthesized. • The adsorbents could capture or release quaternary ammonium herbicides by changing pH. • The adsorbents were applied in the analysis of real water samples. • There is no attendance of organic solvents in the whole analysis process.

  18. Ultrafast time-resolved electron diffraction on adsorbate systems on silicon surfaces. Vibrational excitation in monllayers and dynamics of phase transitions; Ultraschnelle zeitaufgeloeste Elektronenbeugung an Adsorbatsystemen auf Siliziumoberflaechen. Vibrationsanregung in Monolagen und Dynamik von Phasenuebergaengen

    Energy Technology Data Exchange (ETDEWEB)

    Moellenbeck, Simone

    2011-04-11

    In the present work ultra fast time resolved electron diffraction (TR-RHEED) at various adsorbate systems on silicon (Si) substrates was performed. Using the Debye-Waller-effect, the vibrational amplitude of the excited adsorbate atoms can be directly observed in the experiments as a function of time. For a coverage of 4/3 monolayers Lead (Pb) on Si(1 1 1) forms a ({radical}(3) x {radical}(3))-reconstruction. The transient intensity evolution of the diffraction spots is recorded in a TR-RHEED-experiment. After excitation with a fs-laser pulse the intensity decreases due to the Debye-Waller-effect. The temporal behavior of the de-excitation process can be described with two exponential functions: a short time constant of 100 ps and a long one of 2800 ps. The two time constants can be assigned to two different phonon modes of the Pb-adsorbate. The huge difference between the two time constants and thus difference in the coupling to the substrate is explained by the bonding geometry in the structural model. To confirm this possible explanation, further TR-RHEED-experiments for the ({radical}(7) x {radical}(3))-reconstruction of Pb on Si(1 1 1) were performed. The ({radical}(7) x {radical}(3))-reconstruction with a coverage of 1.2 monolayers shows comparable structural elements. The transient intensity evolution can be described with the identical two time constants. In addition, first experiments on the {beta} ({radical}(3) x {radical}(3))-phase of Pb/Si(1 1 1) are presented. This {beta} ({radical}(3) x {radical}(3))-reconstruction, with a coverage of 1/3 monolayers of Pb, shows a phase transition to a (3 x 3)-reconstruction, which was observed in the experiments. Further investigated adsorbate systems are: ({radical}(3) x {radical}(3))Ag/Si(1 1 1), ({radical}(3) x {radical}(3))In/Si(1 1 1), ({radical}(31) x {radical}(31))In/Si(1 1 1), and ({radical}(3) x {radical}(3))Bi/Si(1 1 1). In the second part of the present work the structural dynamics of strongly driven

  19. Effects of adsorbed F, OH, and Cl ions on formaldehyde adsorption performance and mechanism of anatase TiO2 nanosheets with exposed {001} facets.

    Science.gov (United States)

    Zhou, Peng; Zhu, Xiaofeng; Yu, Jiaguo; Xiao, Wei

    2013-08-28

    Formaldehyde (HCHO), as the main indoor air pollutant, is highly needed to be removed by adsorption or catalytic oxidation from the indoor air. Herein, the F(-), OH(-), and Cl(-)-modified anatase TiO2 nanosheets (TNS) with exposed {001} facets were prepared by a simple hydrothermal and post-treatment method, and their HCHO adsorption performance and mechanism were investigated by the experimental analysis and theoretical simulations. Our results indicated that the adsorbed F(-), OH(-), and Cl(-) ions all could weaken the interaction between the HCHO and TNS surface, leading to the serious reduction of HCHO adsorption performance of TNS. However, different from F(-) and Cl(-) ions, OH(-) ion could induce the dissociative adsorption of HCHO by capturing one H atom from HCHO, resulting in the formation of one formyl group and one H2O-like group. This greatly reduced the total energy of the HCHO adsorption system. Thus, the adsorbed OH(-) ions could provide the additional active centers for HCHO adsorption. As a result, the NaOH-treated TNS showed the best HCHO adsorption performance mainly because its surface F(-) was replaced by OH(-). This study will provide new insight into the design and fabrication of high performance adsorbents for removing indoor HCHO and, also, will enhance the understanding of the HCHO adsorption mechanism.

  20. Initial mechanisms for the unimolecular decomposition of electronically excited bisfuroxan based energetic materials.

    Science.gov (United States)

    Yuan, Bing; Bernstein, Elliot R

    2017-01-07

    Unimolecular decomposition of energetic molecules, 3,3'-diamino-4,4'-bisfuroxan (labeled as A) and 4,4'-diamino-3,3'-bisfuroxan (labeled as B), has been explored via 226/236 nm single photon laser excitation/decomposition. These two energetic molecules, subsequent to UV excitation, create NO as an initial decomposition product at the nanosecond excitation energies (5.0-5.5 eV) with warm vibrational temperature (1170 ± 50 K for A, 1400 ± 50 K for B) and cold rotational temperature (energetic barrier is that for which the furoxan ring opens on the S1 state via the breaking of the N1-O1 bond. Subsequently, the molecule moves to the ground S0 state through related ring-opening conical intersections, and an NO product is formed on the ground state surface with little rotational excitation at the last NO dissociation step. For the ground state ring opening decomposition mechanism, the N-O bond and C-N bond break together in order to generate dissociated NO. With the MP2 correction for the CASSCF(12,12) surface, the potential energies of molecules with dissociated NO product are in the range from 2.04 to 3.14 eV, close to the theoretical result for the density functional theory (B3LYP) and MP2 methods. The CASMP2(12,12) corrected approach is essential in order to obtain a reasonable potential energy surface that corresponds to the observed decomposition behavior of these molecules. Apparently, highly excited states are essential for an accurate representation of the kinetics and dynamics of excited state decomposition of both of these bisfuroxan energetic molecules. The experimental vibrational temperatures of NO products of A and B are about 800-1000 K lower than previously studied energetic molecules with NO as a decomposition product.

  1. A Study on the Excitation Mechanism of Methyl Formate in Orion KL by using Transitions in the Vibrational Excited States

    Science.gov (United States)

    Kobayashi, K.; Sakai, Y.; Sasaki, M.; Kakimoto, S.; Takano, S.

    2013-10-01

    The spectral lines of methyl formate in the second torsional excited state were identified in Orion KL for the first time as well as the ground and the first torsional excited state. This identification was made it possible by the recent laboratory microwave spectroscopic study. It was found that the vibrational temperature is twice as large as the rotational temperature. The difference may be attributed to the collision with H2 and/or far infrared pumping.

  2. Fragmentation mechanism of UV-excited peptides in the gas phase

    Energy Technology Data Exchange (ETDEWEB)

    Zabuga, Aleksandra V., E-mail: aleksandra.zabuga@epfl.ch; Kamrath, Michael Z.; Boyarkin, Oleg V.; Rizzo, Thomas R. [Laboratoire de Chimie Physique Moléculaire, École Polytechnique Fédérale de Lausanne, EPFL SB ISIC LCPM, Station 6, CH-1015 Lausanne (Switzerland)

    2014-10-21

    We present evidence that following near-UV excitation, protonated tyrosine- or phenylalanine–containing peptides undergo intersystem crossing to produce a triplet species. This pathway competes with direct dissociation from the excited electronic state and with dissociation from the electronic ground state subsequent to internal conversion. We employ UV-IR double-resonance photofragment spectroscopy to record conformer-specific vibrational spectra of cold peptides pre-excited to their S{sub 1} electronic state. The absorption of tunable IR light by these electronically excited peptides leads to a drastic increase in fragmentation, selectively enhancing the loss of neutral phenylalanine or tyrosine side-chain, which are not the lowest dissociation channels in the ground electronic state. The recorded IR spectra evolve upon increasing the time delay between the UV and IR pulses, reflecting the dynamics of the intersystem crossing on a timescale of ∼80 ns and <10 ns for phenylalanine- and tyrosine-containing peptides, respectively. Once in the triplet state, phenylalanine-containing peptides may live for more than 100 ms, unless they absorb IR photons and undergo dissociation by the loss of an aromatic side-chain. We discuss the mechanism of this fragmentation channel and its possible implications for photofragment spectroscopy and peptide photostability.

  3. Fragmentation mechanism of UV-excited peptides in the gas phase

    Science.gov (United States)

    Zabuga, Aleksandra V.; Kamrath, Michael Z.; Boyarkin, Oleg V.; Rizzo, Thomas R.

    2014-10-01

    We present evidence that following near-UV excitation, protonated tyrosine- or phenylalanine-containing peptides undergo intersystem crossing to produce a triplet species. This pathway competes with direct dissociation from the excited electronic state and with dissociation from the electronic ground state subsequent to internal conversion. We employ UV-IR double-resonance photofragment spectroscopy to record conformer-specific vibrational spectra of cold peptides pre-excited to their S1 electronic state. The absorption of tunable IR light by these electronically excited peptides leads to a drastic increase in fragmentation, selectively enhancing the loss of neutral phenylalanine or tyrosine side-chain, which are not the lowest dissociation channels in the ground electronic state. The recorded IR spectra evolve upon increasing the time delay between the UV and IR pulses, reflecting the dynamics of the intersystem crossing on a timescale of ˜80 ns and phenylalanine- and tyrosine-containing peptides, respectively. Once in the triplet state, phenylalanine-containing peptides may live for more than 100 ms, unless they absorb IR photons and undergo dissociation by the loss of an aromatic side-chain. We discuss the mechanism of this fragmentation channel and its possible implications for photofragment spectroscopy and peptide photostability.

  4. Adsorption characteristics of graphene oxide as a solid adsorbent for aniline removal from aqueous solutions: Kinetics, thermodynamics and mechanism studies

    Directory of Open Access Journals (Sweden)

    Ali Fakhri

    2017-01-01

    Full Text Available The aim of this study is to investigate the possibility of graphene oxide (GO as an alternative adsorbent for aniline removal from aqueous solution. Adsorption properties of GO for aniline removal were regularly investigated, including pH effect, adsorbent dose, temperature, contact time and initial concentration. The adsorption amount of aniline decreased with increasing pH. The experimental data were evaluated by Langmuir, Freundlich, Temkin and Harkins–Jura models in order to describe the equilibrium isotherms. Equilibrium data fitted well to the Langmuir model. The kinetic parameters achieved at different concentrations were analyzed using a pseudo first-order, pseudo second-order kinetic equation and intra-particle diffusion model. The experimental data fitted very well the pseudo second-order kinetic model. Thermodynamic parameters (free energy change, enthalpy change, and entropy change announced that the removal of aniline from GO was endothermic and spontaneous. The study showed that GO could be used as an efficient adsorbent material for the adsorption of aniline from aqueous solution.

  5. Wide pH range for fluoride removal from water by MHS-MgO/MgCO₃ adsorbent: kinetic, thermodynamic and mechanism studies.

    Science.gov (United States)

    Zhang, Kaisheng; Wu, Shibiao; Wang, Xuelong; He, Junyong; Sun, Bai; Jia, Yong; Luo, Tao; Meng, Fanli; Jin, Zhen; Lin, Dongyue; Shen, Wei; Kong, Lingtao; Liu, Jinhuai

    2015-05-15

    A novel environment friendly adsorbent, micro-nano hierarchical structured flower-like MgO/MgCO3 (MHS-MgO/MgCO3), was developed for fluoride removal from water. The adsorbent was characterized and its defluoridation properties were investigated. Adsorption kinetics fitted well the pseudo-second-order model. Kinetic data revealed that the fluoride adsorption was rapid, more than 83-90% of fluoride could be removed within 30 min, and the adsorption equilibrium was achieved in the following 4 h. The fluoride adsorption isotherm was well described by Freundlich model. The maximum adsorption capacity was about 300 mg/g at pH=7. Moreover, this adsorbent possessed a very wide available pH range of 5-11, and the fluoride removal efficiencies even reached up to 86.2%, 83.2% and 76.5% at pH=11 for initial fluoride concentrations of 10, 20 and 30 mg/L, respectively. The effects of co-existing anions indicated that the anions had less effect on adsorption of fluoride except phosphate. In addition, the adsorption mechanism analysis revealed that the wide available pH range toward fluoride was mainly resulted from the exchange of the carbonate and hydroxyl groups on the surface of the MHS-MgO/MgCO3 with fluoride anions.

  6. Mechanisms for Oscillations in Volume of Single Spherical Bubble Due to Sound Excitation in Water

    Institute of Scientific and Technical Information of China (English)

    REN Sheng; ZHANG Jia-Zhong; LI Kai-Lun

    2012-01-01

    Mechanisms for the evolution of a single spherical bubble subjected to sound excitation in water are studied from the viewpoint of nonlinear dynamics. First, the shooting method is combined with a Poincare map to obtain the fixed point for the case of forced oscillation in volume. Then, the stabilities are judged by Floquet theory and the bifurcation theorem. Moreover, the transitions of bubble oscillation in volume due to sound excitation in water are explained from the viewpoint of nonlinear dynamics in detail. The results show that with an increase in sound frequency, the period-1 oscillation becomes unstable, and oscillation behaves in a double-periodic manner, then a quasi-periodic manner, and finally chaotically. Additionally, with an increase of the amplitude of the sound pressure, the bubble eventually oscillates with chaos via a series of period-doubling bifurcations.%Mechanisms for the evolution of a single spherical bubble subjected to sound excitation in water are studied from the viewpoint of nonlinear dynamics.First,the shooting method is combined with a Poincaré map to obtain the fixed point for the case of forced oscillation in volume.Then,the stabilities are judged by Floquet theory and the bifurcation theorem.Moreover,the transitions of bubble oscillation in volume due to sound excitation in water are explained from the viewpoint of nonlinear dynamics in detail.The results show that with an increase in sound frequency,the period-1 oscillation becomes unstable,and oscillation behaves in a double-periodic manner,then a quasi-periodic manner,and finally chaotically.Additionally,with an increase of the amplitude of the sound pressure,the bubble eventually oscillates with chaos via a series of period-doubling bifurcations.

  7. Substrate-adsorbate coupling in CO-adsorbed copper

    CERN Document Server

    Lewis, S P; Lewis, Steven P.; Rappe, Andrew M.

    1996-01-01

    The vibrational properties of carbon monoxide adsorbed to the copper (100) surface are explored within density functional theory. Atoms of the substrate and adsorbate are treated on an equal footing in order to examine the effect of substrate--adsorbate coupling. This coupling is found to have a significant effect on the vibrational modes, particularly the in-plane frustrated translation, which mixes strongly with substrate phonons and broadens into a resonance. The predicted lifetime due to this harmonic decay mechanism is in excellent quantitative agreement with experiment.

  8. Why can water cages adsorb aqueous methane? A potential of mean force calculation on hydrate nucleation mechanisms.

    Science.gov (United States)

    Guo, Guang-Jun; Li, Meng; Zhang, Yi-Gang; Wu, Chang-Hua

    2009-11-28

    By performing constrained molecular dynamics simulations in the methane-water system, we successfully calculated the potential of mean force (PMF) between a dodecahedral water cage (DWC) and dissolved methane for the first time. As a function of the distance between DWC and methane, this is characterized by a deep well at approximately 6.2 A and a shallow well at approximately 10.2 A, separated by a potential barrier at approximately 8.8 A. We investigated how the guest molecule, cage rigidity and the cage orientation affected the PMF. The most important finding is that the DWC itself strongly adsorbs methane and the adsorption interaction is independent of the guests. Moreover, the activation energy of the DWC adsorbing methane is comparable to that of hydrogen bonds, despite differing by a factor of approximately 10% when considering different water-methane interaction potentials. We explain that the cage-methane adsorption interaction is a special case of the hydrophobic interaction between methane molecules. The strong net attraction in the DWC shell with radii between 6.2 and 8.8 A may act as the inherent driving force that controls hydrate formation. A cage adsorption hypothesis for hydrate nucleation is thus proposed and discussed.

  9. Nonradiative Relaxation Mechanisms of UV Excited Phenylalanine Residues: A Comparative Computational Study.

    Science.gov (United States)

    Mališ, Momir; Došlić, Nađa

    2017-03-21

    The present work is directed toward understanding the mechanisms of excited state deactivation in three neutral model peptides containing the phenylalanine residue. The excited state dynamics of theγL(g+)folded form of N-acetylphenylalaninylamide (NAPA B) and its amide-N-methylated derivative (NAPMA B) is reviewed and compared to the dynamics of the monohydrated structure of NAPA (NAPAH). The goal is to unravel how the environment, and in particular solvation, impacts the photodynamics of peptides. The systems are investigated using reaction path calculations and surface hopping nonadiabatic dynamics based on the coupled cluster doubles (CC2) method and time-dependent density functional theory. The work emphasizes the role that excitation transfer from the phenylππ*to amidenπ*state plays in the deactivation of the three systems and shows how the ease of out-of-plane distortions of the amide group determines the rate of population transfer between the two electronic states. The subsequent dynamics on thenπ*state is barrierless along several pathways and leads to fast deactivation to the ground electronic state.

  10. Absorption-Ablation-Excitation Mechanisms of Laser-Cluster Interactions in a Nanoaerosol System

    CERN Document Server

    Ren, Yihua; Zhang, Yiyang; Tse, Stephen D; Long, Marshall B

    2014-01-01

    The absorption-ablation-excitation mechanism in laser-cluster interactions is investigated by measuring Rayleigh scattering of aerosol clusters along with atomic emission from phase-selective laser-induced breakdown spectroscopy (PS-LIBS). As the excitation laser intensity is increased beyond 0.16GW/cm2, the scattering cross-section of TiO_2 clusters begins to decrease, concurrent with the onset of atomic emission of Ti, indicating a scattering-to-ablation transition and the formation of nanoplasmas. To better clarify the process, time-resolved measurements of scattering signals are examined for different excitation laser intensities. For increasing laser intensities, the cross-sections of clusters decrease during a single pulse, evincing the shorter ablation delay time and larger ratios of ablation clusters. Assessment of the electron energy distribution during the ablation process is conducted by non-dimensionalizing the Fokker-Planck equation, with analogous Strouhal Sl_E, Peclet Pe_E, and Damkohler Da_E n...

  11. Rapid Rotation and Nonradial Pulsations $\\kappa$-Mechanism Excitation of G-Modes in B Stars

    CERN Document Server

    Ushomirsky, G; Ushomirsky, Greg; Bildsten, Lars

    1998-01-01

    Several classes of stars (most notably O and B main-sequence stars, as well as accreting white dwarfs and neutron stars) rotate quite rapidly, at spin frequencies greater than the typical g-mode frequencies. We discuss how rapid rotation modifies the $\\kappa$-mechanism excitation and observability of g-mode oscillations. We find that, by affecting the timescale match between the mode period and the thermal time at the driving zone, rapid rotation stabilizes some of the g-modes that are excited in a non-rotating star, and, conversely, excites g-modes that are damped in absence of rotation. The fluid velocities and temperature perturbations are strongly concentrated near the equator for most g-modes in rapidly rotating stars, which means that a favorable viewing angle may be required to observe the pulsations. Moreover, the stability of modes of the same $l$ but different $m$ is affected differently by rotation. We illustrate this by considering g-modes in Slowly Pulsating B-type stars as a function of the rota...

  12. Nonradiative Relaxation Mechanisms of UV Excited Phenylalanine Residues: A Comparative Computational Study

    Directory of Open Access Journals (Sweden)

    Momir Mališ

    2017-03-01

    Full Text Available The present work is directed toward understanding the mechanisms of excited state deactivation in three neutral model peptides containing the phenylalanine residue. The excited state dynamics of theγL(g+folded form of N-acetylphenylalaninylamide (NAPA B and its amide-N-methylated derivative (NAPMA B is reviewed and compared to the dynamics of the monohydrated structure of NAPA (NAPAH. The goal is to unravel how the environment, and in particular solvation, impacts the photodynamics of peptides. The systems are investigated using reaction path calculations and surface hopping nonadiabatic dynamics based on the coupled cluster doubles (CC2 method and time-dependent density functional theory. The work emphasizes the role that excitation transfer from the phenylππ*to amidenπ*state plays in the deactivation of the three systems and shows how the ease of out-of-plane distortions of the amide group determines the rate of population transfer between the two electronic states. The subsequent dynamics on thenπ*state is barrierless along several pathways and leads to fast deactivation to the ground electronic state.

  13. Stress activated contractile wavefronts in the mechanically-excitable embryonic heart

    Science.gov (United States)

    Chiou, Kevin; Majkut, Stephanie; Discher, Dennis; Lubensky, Tom; Liu, Andrea

    2014-03-01

    The heart is a prime example of a robust, active system with behavior-the heart beat-that is extraordinarily well timed and coordinated. For more than half a century, electrical activity induced by ion release and diffusion has been argued to be the mechanism driving cardiac action. But recent work indicates that this phenomenon is also regulated by mechanical activity. In the embryonic avian heart tube, the speed of the contractile wavefront traversing the heart tube with each beat is measured to be a monotonic, linear function of tissue stiffness. Traditional electrical conduction models of excitation-contraction cannot explain this dependence; such a result indicates that the myocardium is mechanically excitable. Here, we extend this work by using experimental observations of stiffness-dependent behavior in isolated cardiomyocytes as an input to study contractile wavefronts in the tissue as a whole. We model the heart tube as an active, overdamped elastic network where the primary stress mediator is the extracellular matrix. Using this simple model, we explain experimental observations of the systolic wave and predict qualitatively new behavior.

  14. Acoustic and Vibration Control for an Underwater Structure under Mechanical Excitation

    Directory of Open Access Journals (Sweden)

    Shi-Jian Zhu

    2014-01-01

    Full Text Available Acoustic and vibration control for an underwater structure under mechanical excitation has been investigated by using negative feedback control algorithm. The underwater structure is modeled with cylindrical shells, conical shells, and circular bulkheads, of which the motion equations are built with the variational approach, respectively. Acoustic property is analyzed by the Helmholtz integration formulation with boundary element method. Based on negative feedback control algorithm, a control loop with a coupling use of piezoelectric sensor and actuator is built, and accordingly some numerical examples are carried out on active control of structural vibration and acoustic response. Effects of geometrical and material parameters on acoustic and vibration properties are investigated and discussed.

  15. Electronically excited states and photochemical reaction mechanisms of β-glucose.

    Science.gov (United States)

    Tuna, Deniz; Sobolewski, Andrzej L; Domcke, Wolfgang

    2014-01-07

    Carbohydrates are important molecular components of living matter. While spectroscopic and computational studies have been performed on carbohydrates in the electronic ground state, the lack of a chromophore complicates the elucidation of the excited-state properties and the photochemistry of this class of compounds. Herein, we report on the first computational investigation of the singlet photochemistry of β-glucose. It is shown that low-lying singlet excited states are of nσ* nature. Our computations of the singlet vertical excitation energies predict absorption from 6.0 eV onward. Owing to a dense manifold of weakly-absorbing states, a sizable and broad absorption in the ultraviolet-C range arises. We have explored two types of photochemical reaction mechanisms: hydrogen-detachment processes for each of the five O-H groups and a C-O ring-opening process. Both types of reactions are driven by repulsive nσ* states that are readily accessible from the Franck-Condon region and lead to conical intersections in a barrierless fashion. We have optimized the geometries of the conical intersections involved in these photochemical processes and found that these intersections are located around 5.0 eV for the O-H hydrogen-detachment reactions and around 4.0 eV for the C-O ring-opening reaction. The energies of all conical intersections are well below the computed absorption edge. The calculations were performed using linear-response methods for the computation of the vertical excitation energies and multiconfigurational methods for the optimization of conical intersections and the computation of energy profiles.

  16. Experimental Identification of Electric Field Excitation Mechanisms in a Structural Transition of Tokamak Plasmas

    Science.gov (United States)

    Kobayashi, T.; Itoh, K.; Ido, T.; Kamiya, K.; Itoh, S.-I.; Miura, Y.; Nagashima, Y.; Fujisawa, A.; Inagaki, S.; Ida, K.; Hoshino, K.

    2016-01-01

    Self-regulation between structure and turbulence, which is a fundamental process in the complex system, has been widely regarded as one of the central issues in modern physics. A typical example of that in magnetically confined plasmas is the Low confinement mode to High confinement mode (L-H) transition, which is intensely studied for more than thirty years since it provides a confinement improvement necessary for the realization of the fusion reactor. An essential issue in the L-H transition physics is the mechanism of the abrupt “radial” electric field generation in toroidal plasmas. To date, several models for the L-H transition have been proposed but the systematic experimental validation is still challenging. Here we report the systematic and quantitative model validations of the radial electric field excitation mechanism for the first time, using a data set of the turbulence and the radial electric field having a high spatiotemporal resolution. Examining time derivative of Poisson’s equation, the sum of the loss-cone loss current and the neoclassical bulk viscosity current is found to behave as the experimentally observed radial current that excites the radial electric field within a few factors of magnitude. PMID:27489128

  17. Azole energetic materials: initial mechanisms for the energy release from electronical excited nitropyrazoles.

    Science.gov (United States)

    Yuan, Bing; Yu, Zijun; Bernstein, Elliot R

    2014-01-21

    Decomposition of energetic material 3,4-dinitropyrazole (DNP) and two model molecules 4-nitropyrazole and 1-nitropyrazole is investigated both theoretically and experimentally. The initial decomposition mechanisms for these three nitropyrazoles are explored with complete active space self-consistent field (CASSCF) level. The NO molecule is observed as an initial decomposition product from all three materials subsequent to UV excitation. Observed NO products are rotationally cold (energetic material DNP, NO is produced on the ground state surface, as the S1 decomposition pathway is energetically unavailable. The theoretically predicted mechanism is consistent with the experimental results, as DNP decomposes in a lower electronic state than do the model systems and thus the vibrational energy in the NO product from DNP should be hotter than from the model systems. The observed rotational energy distributions for NO are consistent with the final structures of the respective transition states for each molecule.

  18. Ionic and Substrate Mechanisms of Atrial Fibrillation: Rotors and the Excitation Frequency Approach

    Science.gov (United States)

    Berenfeld, Omer

    2011-01-01

    Atrial fibrillation (AF) is the most common sustained cardiac arrhythmia in humans however its mechanisms are poorly understood and its therapy is often sub-optimal. This article reviews recent experimental, numerical and clinical data on dynamics of wave propagation during AF and its mechanistic link to ionic and structural properties of the atria. At the onset, the article present numerical and optical mapping data suggesting that a presence of periodic source with increasingly high dominant frequency (DF) of excitation underlies observations of dispersion of local activation rate during AF. Further optical mapping studies in isolated normal sheep hearts in the presence of acetylcholine (ACh) reveals that rotors localized to the left atrium (LA) drive the arrhythmia and are faster than those in the right atrium (RA). Patch-clamp data from isolated cardiomycytes shows that the ACh-modulated potassium inward rectifier current is higher in the LA than in the RA which may explain the higher DFs and sensitivity of LA rotors to ACh compared with RA rotors. Following, the role of fibrosis in governing the propagation dynamics with a decrease in excitation frequency is presented in AF in failing sheep hearts and complex activation in cell cultures. Translation into the clinical setting is then discussed: DF distribution in patients with paroxysmal AF follows the LA-to-RA gradients found in the acute cholinergic AF of sheep hearts with highest DFs localized primarily to the posterior LA wall and pulmonary veins (PV) region; however in patients with persistent AF, the highest DFs localize mainly outside of the PVs region with possible implication on the outcome of ablation procedures. Next, intravenous injection of adenosine to patients in AF is demonstrated to result in further acceleration of high DF sites and suggests that reentrant activity, rather than triggered or automatic activity, maintains the arrhythmia. Finally, analysis of excitation during AF developed in

  19. Excited electronic state decomposition mechanisms and dynamics of nitramine energetic materials and model systems

    Science.gov (United States)

    Greenfield, Margo

    Energetic materials play an important role in aeronautics, the weapon industry, and the propellant industry due to their broad applications as explosives and fuels. RDX (1,3,5-trinitrohexahydro-s-triazine), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), and CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) are compounds which contain high energy density. Although RDX and HMX have been studied extensively over the past several decades a complete understanding of their decomposition mechanisms and dynamics is unknown. Time of flight mass spectroscopy (TOFMS) UV photodissociation (ns) experiments of gas phase RDX, HMX, and CL-20 generate the NO molecule as the initial decomposition product. Four different vibronic transitions of the initial decomposition product, the NO molecule, are observed: A2Sigma(upsilon'=0)←X 2pi(upsilon"=0,1,2,3). Simulations of the rovibronic intensities for the A←X transitions demonstrate that NO dissociated from RDX, HMX, and CL-20 is rotationally cold (˜20 K) and vibrationally hot (˜1800 K). Conversely, experiments on the five model systems (nitromethane, dimethylnitramine (DMNA), nitropyrrolidine, nitropiperidine and dinitropiperazine) produce rotationally hot and vibrationally cold spectra. Laser induced fluorescence (LIF) experiments are performed to rule out the possible decomposition product OH, generated along with NO, perhaps from the suggested HONO elimination mechanism. The OH radical is not observed in the fluorescence experiments, indicating the HONO decomposition intermediate is not an important pathway for the excited electronic state decomposition of cyclic nitramines. The NO molecule is also employed to measure the dynamics of the excited state decomposition. A 226 nm, 180 fs light pulse is utilized to photodissociate the gas phase systems. Stable ion states of DMNA and nitropyrrolidine are observed while the energetic materials and remaining model systems present the NO molecule as the only

  20. Investigation of the mechanism of electroless deposition of copper on functionalized alkanethiolate self-assembled monolayers adsorbed on gold.

    Science.gov (United States)

    Lu, Peng; Walker, Amy V

    2007-12-04

    We have investigated the reaction pathways involved in the unseeded electroless deposition of copper on self-assembled monolayers (SAMs) adsorbed on Au, using time-of-flight secondary ion mass spectrometry, optical microscopy, and scanning electron microscopy. At 22 degrees C copper deposits on both -CH3 and -COOH terminated SAMs. No copper deposition is observed on -OH terminated SAMs because the hydroxyl terminal groups react with formaldehyde in the plating solution, forming an acetal which prevents Cu deposition. At higher deposition temperatures (45 degrees C), no Cu is observed to deposit on -CH3 terminated SAMs because Cu2+ ions are not stabilized on the SAM surface. Copper complexes are still able to form with the -COOH terminal group at 45 degrees C, and so copper continues to be deposited on -COOH terminated SAMs. Copper also penetrates through -CH3 and -COOH terminated SAMs to the Au/S interface, suggesting that soft deposition techniques do not prevent the penetration of low-to-moderate reactivity metals through organic films.

  1. Emission and excitation mechanism of radiophotoluminescence in Ag{sup +}-activated phosphate glass

    Energy Technology Data Exchange (ETDEWEB)

    Miyamoto, Y. [Oarai Research Center, Chiyoda Technol Corporation, 3681 Narita-cho, Oarai-machi, Higashi-ibaraki-gun, Ibaraki-ken 311-1313 (Japan); Advanced Materials, Science Research and Development Center, Kanazawa Institute of Technology, 3-1 Yatsukaho, Hakusann-shi, Ishikawa-ken 924-0838 (Japan); Kinoshita, K.; Koyama, S.; Takei, Y. [Advanced Materials, Science Research and Development Center, Kanazawa Institute of Technology, 3-1 Yatsukaho, Hakusann-shi, Ishikawa-ken 924-0838 (Japan); Nanto, H., E-mail: hnanto@neptune.kanazawa-it.ac.j [Advanced Materials, Science Research and Development Center, Kanazawa Institute of Technology, 3-1 Yatsukaho, Hakusann-shi, Ishikawa-ken 924-0838 (Japan); Yamamoto, T. [Oarai Research Center, Chiyoda Technol Corporation, 3681 Narita-cho, Oarai-machi, Higashi-ibaraki-gun, Ibaraki-ken 311-1313 (Japan); Sakakura, M.; Shimotsuma, Y.; Miura, K.; Hirao, K. [Department of Materials Chemistry, Graduate School of Engineering, Kyoto University, A3-119 Katsura, Nishikyo-ku, Kyoto-shi, Kyoto-hu 615-8510 (Japan)

    2010-07-21

    The objective of this study is to investigate the emission mechanism of radiophotoluminescence (RPL) in the Ag{sup +}-doped phosphate glass (glass dosimeter), which is now used as the individual radiation dosimeter, because the emission mechanism of RPL in the glass dosimeter was not fully understood. Optical properties such as RPL emission and excitation spectra and change of RPL spectrum as a function of X-ray irradiation dose were measured for commercially available glass dosimeter. In this study, we discuss the emission mechanism of two RPL peaks at about 2.70 eV (460 nm) and 2.21 eV (560 nm), based on the fact that electrons and holes produced by X-ray irradiation are trapped at Ag{sup +} ions to produce Ag{sup 0} and Ag{sup 2+} ions, respectively, when the Ag{sup +}-doped phosphate glass is exposed to X-ray. We propose the emission mechanism of RPL peaks at about 2.70 and 2.21 eV, regarding Ag{sup 2+} and Ag{sup 0} ions.

  2. The investigation of excited state proton transfer mechanism in water-bridged 7-azaindole

    Science.gov (United States)

    Zhang, Yong-Jia; Zhao, Jin-Feng; Li, Yong-Qing

    2016-01-01

    Based on the time-dependent density functional theory (TDDFT), the excited-state intermolecular proton transfer (ESIPT) mechanism of water-bridged 7-azaindole has been investigated theoretically. The calculations of primary bond lengths and the IR vibrational spectra between the S0 state and the S1 state that verified the intramolecular hydrogen bond were strengthened. The fact that reproduced experimental absorbance and fluorescence emission spectra well theoretically demonstrate that the TDDFT theory we adopted is reasonable and effective. In addition, intramolecular charge transfer based on the frontier molecular orbitals demonstrated the indication of the ESIPT reaction. The constructed potential energy curves of ground state and the first excited state based on keeping the H2···O3 and H6···N7 distances fixed at a series of values have been used to illustrate the ESIPT process. A relative lower barrier of 5.94 kcal/mol in the S1 state potential energy curve for type II (lower than that of 9.82 kcal/mol in the S1 state for type I) demonstrates that type II ESIPT process occurs firstly in 7Al-2H2O complex.

  3. Effect of nuclear-reaction mechanisms on the population of excited nuclear states and isomeric ratios

    Science.gov (United States)

    Skobelev, N. K.

    2016-07-01

    Experimental data on the cross sections for channels of fusion and transfer reactions induced by beams of radioactive halo nuclei and clustered and stable loosely bound nuclei were analyzed, and the results of this analysis were summarized. The interplay of the excitation of single-particle states in reaction-product nuclei and direct reaction channels was established for transfer reactions. Respective experiments were performed in stable (6Li) and radioactive (6He) beams of the DRIBs accelerator complex at the Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, and in deuteron and 3He beams of the U-120M cyclotron at the Nuclear Physics Institute, Academy Sciences of Czech Republic (Řež and Prague, Czech Republic). Data on subbarrier and near-barrier fusion reactions involving clustered and loosely bound light nuclei (6Li and 3He) can be described quite reliably within simple evaporation models with allowance for different reaction Q-values and couple channels. In reactions involving halo nuclei, their structure manifests itself most strongly in the region of energies below the Coulomb barrier. Neutron transfer occurs with a high probability in the interactions of all loosely bound nuclei with light and heavy stable nuclei at positive Q-values. The cross sections for such reactions and the respective isomeric ratios differ drastically for nucleon stripping and nucleon pickup mechanisms. This is due to the difference in the population probabilities for excited single-particle states.

  4. Study Under AC Stimulation on Excitement Properties of Weighted Small-World Biological Neural Networks with Side-Restrain Mechanism

    Institute of Scientific and Technical Information of China (English)

    YUAN Wu-Jie; LUO Xiao-Shu; JIANG Pin-Qun

    2007-01-01

    In this paper,we propose a new model of weighted small-world biological neural networks based on biophysical Hodgkin-Huxley neurons with side-restrain mechanism.Then we study excitement properties of the model under alternating current (AC) stimulation.The study shows that the excitement properties in the networks are preferably consistent with the behavior properties of a brain nervous system under different AC stimuli,such as refractory period and the brain neural excitement response induced by different intensities of nolse and coupling.The results of the study have reference worthiness for the brain nerve electrophysiology and epistemological science.

  5. Excitation functions of parameters in Erlang distribution, Schwinger mechanism, and Tsallis statistics in RHIC BES program

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Li-Na; Liu, Fu-Hu [Shanxi University, Institute of Theoretical Physics, Shanxi (China); Lacey, Roy A. [Stony Brook University, Departments of Chemistry and Physics, Stony Brook, NY (United States)

    2016-05-15

    Experimental results of the transverse-momentum distributions of φ mesons and Ω hyperons produced in gold-gold (Au-Au) collisions with different centrality intervals, measured by the STAR Collaboration at different energies (7.7, 11.5, 19.6, 27, and 39 GeV) in the beam energy scan (BES) program at the relativistic heavy-ion collider (RHIC), are approximately described by the single Erlang distribution and the two-component Schwinger mechanism. Moreover, the STAR experimental transverse-momentum distributions of negatively charged particles, produced in Au-Au collisions at RHIC BES energies, are approximately described by the two-component Erlang distribution and the single Tsallis statistics. The excitation functions of free parameters are obtained from the fit to the experimental data. A weak softest point in the string tension in Ω hyperon spectra is observed at 7.7 GeV. (orig.)

  6. Electronic excitation energies, three-state intersections, and photodissociation mechanisms of benzaldehyde and acetophenone

    Science.gov (United States)

    Cui, Ganglong; Lu, You; Thiel, Walter

    2012-06-01

    We report a theoretical study on the electronically excited states and the mechanisms of photodissociation of C6H5CHO and C6H5COCH3. For both molecules, we find an S1/T2/T1 three-state intersection region, which allows for an efficient S1 → T1 intersystem crossing via the T2 state that acts as a relay. Consequently, T1 reactions become the major radical photodissociation channels. According to the computed energy profiles, T1 photodissociation mainly yields phenyl and formyl radicals in the case of benzaldehyde, and benzoyl and methyl radicals in the case of acetophenone, with different C-C bonds being cleaved preferentially. The computational results agree well with the available experimental data.

  7. THE Fe II EMISSION IN ACTIVE GALACTIC NUCLEI: EXCITATION MECHANISMS AND LOCATION OF THE EMITTING REGION

    Energy Technology Data Exchange (ETDEWEB)

    Marinello, M. [Universidade Federal de Itajubá, Rua Doutor Pereira Cabral 1303, 37500-903, Itajubá, MG (Brazil); Rodríguez-Ardila, A.; Garcia-Rissmann, A. [Laboratório Nacional de Astrofísica, Rua Estados Unidos 154, Itajubá, MG, 37504-364 (Brazil); Sigut, T. A. A. [The University of Western Ontario, London, ON N6A 3K7 (Canada); Pradhan, A. K., E-mail: murilo.marinello@gmail.com [McPherson Laboratory, The Ohio State University, 140 W. 18th Ave., Columbus, OH 43210-1173 (United States)

    2016-04-01

    We present a study of Fe ii emission in the near-infrared region (NIR) for 25 active galactic nuclei (AGNs) to obtain information about the excitation mechanisms that power it and the location where it is formed. We employ an NIR Fe ii template derived in the literature and find that it successfully reproduces the observed Fe ii spectrum. The Fe ii bump at 9200 Å detected in all objects studied confirms that Lyα fluorescence is always present in AGNs. The correlation found between the flux of the 9200 Å bump, the 1 μm lines, and the optical Fe ii implies that Lyα fluorescence plays an important role in Fe ii production. We determined that at least 18% of the optical Fe ii is due to this process, while collisional excitation dominates the production of the observed Fe ii. The line profiles of Fe ii λ10502, O i λ11287, Ca ii λ8664, and Paβ were compared to gather information about the most likely location where they are emitted. We found that Fe ii, O i and Ca ii have similar widths and are, on average, 30% narrower than Paβ. Assuming that the clouds emitting the lines are virialized, we show that the Fe ii is emitted in a region twice as far from the central source than Paβ. The distance, though, strongly varies: from 8.5 light-days for NGC 4051 to 198.2 light-days for Mrk 509. Our results reinforce the importance of the Fe ii in the NIR to constrain critical parameters that drive its physics and the underlying AGN kinematics, as well as more accurate models aimed at reproducing this complex emission.

  8. Cycling excitation process: An ultra efficient and quiet signal amplification mechanism in semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yu-Hsin [Materials Science and Engineering Program, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0418 (United States); Yan, Lujiang; Zhang, Alex Ce; Hall, David; Niaz, Iftikhar Ahmad; Zhou, Yuchun [Department of Electrical and Computer Engineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0409 (United States); Sham, L. J. [Department of Physics, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); Lo, Yu-Hwa, E-mail: ylo@ucsd.edu [Materials Science and Engineering Program, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0418 (United States); Department of Electrical and Computer Engineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0409 (United States)

    2015-08-03

    Signal amplification, performed by transistor amplifiers with its merit rated by the efficiency and noise characteristics, is ubiquitous in all electronic systems. Because of transistor thermal noise, an intrinsic signal amplification mechanism, impact ionization was sought after to complement the limits of transistor amplifiers. However, due to the high operation voltage (30-200 V typically), low power efficiency, limited scalability, and, above all, rapidly increasing excess noise with amplification factor, impact ionization has been out of favor for most electronic systems except for a few applications such as avalanche photodetectors and single-photon Geiger detectors. Here, we report an internal signal amplification mechanism based on the principle of the phonon-assisted cycling excitation process (CEP). Si devices using this concept show ultrahigh gain, low operation voltage, CMOS compatibility, and, above all, quantum limit noise performance that is 30 times lower than devices using impact ionization. Established on a unique physical effect of attractive properties, CEP-based devices can potentially revolutionize the fields of semiconductor electronics.

  9. Comparison of excitation mechanisms in the analytical regions of a high-power two-jet plasma

    Energy Technology Data Exchange (ETDEWEB)

    Zaksas, Natalia P., E-mail: zak@niic.nsc.ru

    2015-07-01

    Excitation mechanisms in the analytical regions of a high-power two-jet plasma were investigated. A new plasmatron recently developed was applied in this work. The Boltzmann population of excited levels of Fe atoms and ions was observed in both analytical regions, before and after the jet confluence, as well as in the jet confluence, which proves excitation of atoms and ions by electron impact. The disturbance of local thermodynamic equilibrium in all regions of the plasma flow was deduced on the basis of considerable difference in Fe atomic and ionic excitation temperatures. Such a difference is most likely to be caused by contribution of metastable argon to atom ionization. The region before the jet confluence has the greatest difference in Fe atomic and ionic excitation temperatures and is more non-equilibrium than the region after the confluence due to comparatively low electron and high metastable argon concentrations. Low electron concentration in this region provides lower background emission than in the region after the jet confluence, which leads to better detection limits for the majority of elements. - Highlights: • Excitation mechanisms were investigated in the analytical regions of a high-power TJP. • Boltzmann population of excited levels of Fe atoms and ions takes place in all regions of the plasma flow. • The considerable difference in Fe atomic and ionic excitation temperatures occurs. • Penning ionization by metastable argon results in disturbance of LTE in the plasma. • The region before the jet confluence is more non-equilibrium than after that.

  10. Mechanism of Selenite Removal by a Mixed Adsorbent Based on Fe–Mn Hydrous Oxides Studied Using X-ray Absorption Spectroscopy

    KAUST Repository

    Chubar, Natalia

    2014-11-18

    © 2014 American Chemical Society. Selenium cycling in the environment is greatly controlled by various minerals, including Mn and Fe hydrous oxides. At the same time, such hydrous oxides are the main inorganic ion exchangers suitable (on the basis of their chemical nature) to sorb (toxic) anions, separating them from water solutions. The mechanism of selenite adsorption by the new mixed adsorbent composed of a few (amorphous and crystalline) phases [maghemite, MnCO3, and X-ray amorphous Fe(III) and Mn(III) hydrous oxides] was studied by extended X-ray absorption fine structure (EXAFS) spectroscopy [supported by Fourier transform infrared (FTIR) and X-ray diffraction (XRD) data]. The complexity of the porous adsorbent, especially the presence of the amorphous phases of Fe(III) and Mn(III) hydrous oxides, is the main reason for its high selenite removal performance demonstrated by batch and column adsorption studies shown in the previous work. Selenite was bound to the material via inner-sphere complexation (via oxygen) to the adsorption sites of the amorphous Fe(III) and Mn(III) oxides. This anion was attracted via bidentate binuclear corner-sharing coordination between SeO3 2- trigonal pyramids and both FeO6 and MnO6 octahedra; however, the adsorption sites of Fe(III) hydrous oxides played a leading role in selenite removal. The contribution of the adsorption sites of Mn(III) oxide increased as the pH decreased from 8 to 6. Because most minerals have a complex structure (they are seldom based on individual substances) of various crystallinity, this work is equally relevant to environmental science and environmental technology because it shows how various solid phases control cycling of chemical elements in the environment.

  11. Mechanism of selenite removal by a mixed adsorbent based on Fe-Mn hydrous oxides studied using X-ray absorption spectroscopy.

    Science.gov (United States)

    Chubar, Natalia; Gerda, Vasyl; Szlachta, Małgorzata

    2014-11-18

    Selenium cycling in the environment is greatly controlled by various minerals, including Mn and Fe hydrous oxides. At the same time, such hydrous oxides are the main inorganic ion exchangers suitable (on the basis of their chemical nature) to sorb (toxic) anions, separating them from water solutions. The mechanism of selenite adsorption by the new mixed adsorbent composed of a few (amorphous and crystalline) phases [maghemite, MnCO3, and X-ray amorphous Fe(III) and Mn(III) hydrous oxides] was studied by extended X-ray absorption fine structure (EXAFS) spectroscopy [supported by Fourier transform infrared (FTIR) and X-ray diffraction (XRD) data]. The complexity of the porous adsorbent, especially the presence of the amorphous phases of Fe(III) and Mn(III) hydrous oxides, is the main reason for its high selenite removal performance demonstrated by batch and column adsorption studies shown in the previous work. Selenite was bound to the material via inner-sphere complexation (via oxygen) to the adsorption sites of the amorphous Fe(III) and Mn(III) oxides. This anion was attracted via bidentate binuclear corner-sharing coordination between SeO3(2-) trigonal pyramids and both FeO6 and MnO6 octahedra; however, the adsorption sites of Fe(III) hydrous oxides played a leading role in selenite removal. The contribution of the adsorption sites of Mn(III) oxide increased as the pH decreased from 8 to 6. Because most minerals have a complex structure (they are seldom based on individual substances) of various crystallinity, this work is equally relevant to environmental science and environmental technology because it shows how various solid phases control cycling of chemical elements in the environment.

  12. 海藻酸镧颗粒除氟研究:吸附剂物性和吸附机理%Fluoride Removal by Lanthanum Alginate Bead:Adsorbent Characterization and Adsorption Mechanism

    Institute of Scientific and Technical Information of China (English)

    霍亚坤; 丁文明; 黄霞; 徐静年; 赵梦华

    2011-01-01

    Lanthanum alginate bead is a new, highly active adsorbent. In the present study, we investigated its adsorption performance and its adsorption mechanism. The adsorption isotherm for fluoride onto lanthanum alginate bead fits the Langmuir model well, and the maximum adsorption capacity is 197.2 mg·g-1. X-ray diffraction shows the amorphous nature of lanthanum alginate bead, which allows for better accessibility to fluoride and thus better activity. Infrared spectra of lanthanum alginate bead before and after adsorption confirm its stable skeletal structure.Scanning electron microscopy shows that the dense surface structure of the adsorbent appear cracks after adsorption.The adsorption mechanism of lanthanum alginate bead is considered as an ion exchange between F- and Cl- or OH-,as verified from the adsorbent and the solution by pH effect, energy dispersive X-ray, and ion chromatography.

  13. Excitation Mechanisms of Near-Infrared Emission Lines in LINER Galaxies

    Science.gov (United States)

    Boehle, Anna

    2017-01-01

    I will present high spatial resolution, integral field spectroscopic observations of the nearby LINER (low ionization nuclear emission line region) galaxy NGC 404. LINERs are found at the centers of ~1/3 of galaxies within 40 Mpc, but their physical nature is not well understood. Although NGC 404 is thought to host a intermediate mass black hole at its center, it is unclear whether accretion onto the black hole or another mechanism such as shock excitation drives its LINER emission. We use the OSIRIS near-infrared integral field spectrograph at Keck Observatory behind laser guide star adaptive optics to map the strength and kinematics of [FeII], H2, and hydrogen recombination lines in the nucleus of NGC 404. These observations have a spatial pixel sampling of 0.5 pc and span the central 30 pc of the galaxy. We find that the ionized and molecular gas show differences in their morphology and kinematics on parsec scales. In particular, there are regions with line ratios of [FeII]/Pa-β that are much higher than previously seen in spatially integrated spectra, significantly restricting the possible excitation mechanisms of the near-infrared emission lines in this source. We are also applying these analysis techniques to 10 additional nearby LINERs, a part of a larger sample of 14 sources, to understand what drives the emission lines in these active galaxies. As a part of this program, I worked on the upgrade of the detector in the OSIRIS spectrograph, which has allowed observations for this survey obtained since January 2016 to be taken with increased instrument sensitivity of a factor of ~2 at J-band wavelengths (1.2 - 1.4 microns) and ~1.6 at H- and K-band wavelengths (1.5 - 2.4 microns). I will present results from the LINER survey, the OSIRIS detector upgrade, and also touch on related work using stellar orbits around the Milky Way supermassive black hole Sgr A* to constrain the mass and distance to our own Galactic Center.

  14. On the physical mechanisms governing self-excited pressure surge in Francis turbines

    Science.gov (United States)

    Müller, A.; Favrel, A.; Landry, C.; Yamamoto, K.; Avellan, F.

    2014-03-01

    The required operating range for hydraulic machines is continually extended in an effort to integrate renewable energy sources with unsteady power outputs into the existing electrical grid. The off-design operation however brings forth unfavorable flow patterns in the machine, causing dynamic problems involving cavitation, which may represent a limiting factor to the energy production. In Francis turbines it is observed that the self-excited oscillation of a vortex rope in the draft tube cone prevents the delivery of maximum power when required. This phenomenon is referred to as full load pressure surge and has been the object of extensive research during the past decades. Several contributions deepened its understanding through measurement and simulation of the local flow properties and the global stability parameters. The draft tube pressure level and the runner outlet swirl are identified as key variables in the modelling of the vortex rope dynamics. Recently, a cyclic appearance of blade cavitation has been observed at overload conditions in a multiphase numerical simulation coupling the runner and the draft tube. From the analysis of the simulation it becomes obvious that the cyclic appearance of blade cavitation has a direct effect on the runner outlet swirl, thus introducing an additional interaction mechanism that is not accounted for in formerly published models. For the presented work, the results of this numerical study are confirmed experimentally on a reduced scale model of a Francis turbine. Several wall pressure measurements in the draft tube cone are performed, together with high speed visualizations of the vortex rope and the blade cavitation. The flow swirl is calculated based on Laser Doppler Velocimetry measurements. A possible mechanism explaining the coupling between the self-excited pressure and vortex rope oscillation and the cyclic appearance of the blade cavitation is proposed. Furthermore, the streamwise propagation speed of the flow

  15. On the self-excitation mechanisms of Plasma Series Resonance oscillations in single- and multi-frequency capacitive discharges

    CERN Document Server

    Schuengel, Edmund; Korolov, Ihor; Derzsi, Aranka; Donko, Zoltan; Schulze, Julian

    2016-01-01

    The self-excitation of plasma series resonance (PSR) oscillations is a prominent feature in the current of low pressure capacitive radio frequency (RF) discharges. This resonance leads to high frequency oscillations of the charge in the sheaths and enhances electron heating. Up to now, the phenomenon has only been observed in asymmetric discharges. There, the nonlinearity in the voltage balance, which is necessary for the self-excitation of resonance oscillations with frequencies above the applied frequencies, is caused predominantly by the quadratic contribution to the charge-voltage relation of the plasma sheaths. Using PIC/MCC simulations of single- and multi- frequency capacitive discharges and an equivalent circuit model, we demonstrate that other mechanisms such as a cubic contribution to the charge-voltage relation of the plasma sheaths and the time dependent bulk electron plasma frequency can cause the self-excitation of PSR oscillations, as well. These mechanisms have been neglected in previous model...

  16. Ionic mechanism underlying optimal stimuli for neuronal excitation: role of Na+ channel inactivation.

    Science.gov (United States)

    Clay, John R; Forger, Daniel B; Paydarfar, David

    2012-01-01

    The ionic mechanism underlying optimal stimulus shapes that induce a neuron to fire an action potential, or spike, is relevant to understanding optimal information transmission and therapeutic stimulation in the nervous system. Here we analyze for the first time the ionic basis for stimulus optimality in the Hodgkin and Huxley model and for eliciting a spike in squid giant axons, the preparation for which the model was devised. The experimentally determined stimulus is a smoothly varying biphasic current waveform having a relatively long and shallow hyperpolarizing phase followed by a depolarizing phase of briefer duration. The hyperpolarizing phase removes a small degree of the resting level of Na(+) channel inactivation. This result together with the subsequent depolarizing phase provides a signal that is energetically more efficient for eliciting spikes than rectangular current pulses. Sodium channel inactivation is the only variable that is changed during the stimulus waveform, other than the membrane potential, V. The activation variables for Na(+) and K(+) channels are unchanged throughout the stimulus. This result demonstrates how an optimal stimulus waveform relates to ionic dynamics and may have implications for energy efficiency of neural excitation in many systems including the mammalian brain.

  17. Dynamic response of mechanical systems to impulse process stochastic excitations: Markov approach

    Science.gov (United States)

    Iwankiewicz, R.

    2016-05-01

    Methods for determination of the response of mechanical dynamic systems to Poisson and non-Poisson impulse process stochastic excitations are presented. Stochastic differential and integro-differential equations of motion are introduced. For systems driven by Poisson impulse process the tools of the theory of non-diffusive Markov processes are used. These are: the generalized Itô’s differential rule which allows to derive the differential equations for response moments and the forward integro-differential Chapman-Kolmogorov equation from which the equation governing the probability density of the response is obtained. The relation of Poisson impulse process problems to the theory of diffusive Markov processes is given. For systems driven by a class of non-Poisson (Erlang renewal) impulse processes an exact conversion of the original non-Markov problem into a Markov one is based on the appended Markov chain corresponding to the introduced auxiliary pure jump stochastic process. The derivation of the set of integro-differential equations for response probability density and also a moment equations technique are based on the forward integro-differential Chapman-Kolmogorov equation. An illustrating numerical example is also included.

  18. Effective properties of mechanical systems under high-frequency excitation at multiple frequencies

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    2008-01-01

    Effects of strong high-frequency excitation at multiple frequencies (multi-HFE) are analyzed for a class of generally nonlinear systems. The effects are illustrated for a simple pendulum system with a vibrating support, and for a parametrically excited flexible beam. For the latter, theoretical p...

  19. Mechanism of Electron Excitation and Emission from a Nanoribbon under Pulsed Laser Irradiation: Time-Dependent First-Principles Study

    Science.gov (United States)

    Miyauchi, Shota; Watanabe, Kazuyuki

    2017-03-01

    A time-dependent density functional theory simulation demonstrated the sequential dynamics of electron excitation and emission from a silicene nanoribbon under a femtosecond laser pulse. The mechanism for the multiphoton absorption processes that are responsible for the kinetic-energy spectra of emitted electrons was elucidated using Kohn-Sham potentials and the decomposition scheme.

  20. Investigation of laser-surface interactions and optical damage mechanisms using excitation by pairs of picosecond laser pulses

    Science.gov (United States)

    Chase, L. L.; Lee, H. W. H.; Hughes, Robert S.

    1990-07-01

    It is demonstrated that laser-surface interactions that cause optical surface damage of nominally transparent materials can be investigated by observing the effects of excitation by pairs of picosecond pulses separated by a variable time delay. Laser-induced emission of neutrals is used as the detection mechanism in the present experiments.

  1. Effects of real and sham whole-body mechanical vibration on spinal excitability at rest and during muscle contraction

    NARCIS (Netherlands)

    Hortobagyi, T.; Rider, P.; DeVita, P.

    2014-01-01

    We examined the effects of whole-body mechanical vibration (WBV) on indices of motoneuronal excitability at rest and during muscle contraction in healthy humans. Real and sham WBV at 30Hz had no effect on reflexes measured during muscle contraction. Real WBV at 30 and 50Hz depressed the H-reflex app

  2. Diverse mechanisms for photoprotection in photosynthesis. Dynamic regulation of photosystem II excitation in response to rapid environmental change.

    Science.gov (United States)

    Derks, Allen; Schaven, Kristin; Bruce, Doug

    2015-01-01

    Photosystem II (PSII) of photosynthesis catalyzes one of the most challenging reactions in nature, the light driven oxidation of water and release of molecular oxygen. PSII couples the sequential four step oxidation of water and two step reduction of plastoquinone to single photon photochemistry with charge accumulation centers on both its electron donor and acceptor sides. Photon capture, excitation energy transfer, and trapping occur on a much faster time scale than the subsequent electron transfer and charge accumulation steps. A balance between excitation of PSII and the use of the absorbed energy to drive electron transport is essential. If the absorption of light energy increases and/or the sink capacity for photosynthetically derived electrons decreases, potentially deleterious side reactions may occur, including the production of reactive oxygen species. In response, a myriad of fast (second to minutes timescale) and reversible photoprotective mechanisms are observed to regulate PSII excitation when the environment changes more quickly than can be acclimated to by gene expression. This review compares the diverse photoprotective mechanisms that are used to dissipate (quench) PSII excitation within the antenna systems of higher land plants, green algae, diatoms, and cyanobacteria. The molecular bases of how PSII excitation pressure is sensed by the antenna system and how the antenna then reconfigures itself from a light harvesting to an energy dissipative mode are discussed.

  3. Investigation on Adsorption State of Surface Adsorbate on Silicon Wafer

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    An adsorption kinetics model for adsorbate on the specularly polished silicon wafer was suggested. The mathematical model of preferential adsorption and the mechanism controlling the adsorption state of adsorbate were discussed.

  4. Mechanism associated with the Space Shuttle main engine oxidizer valve/duct system anomalous high amplitude discrete acoustical excitation

    Science.gov (United States)

    Schutzenhofer, L. A.; Jones, J. H.; Jewell, R. E.; Ryan, R. S.

    1980-01-01

    Anomalous high frequency pressure fluctuations in the Space Shuttle main engine have been experienced during hot firings. Through diagnostic analysis of hot firing engine data, it was determined that this excitation originated at the main oxidizer valve. The intensity of these fluctuations was such that the main oxidizer valve was partially consumed in fire, experienced fretting, and had seal damage. Delineated in this paper are the associated dynamical phenomena and the methodologies leading toward understanding the excitation mechanism. The results presented demonstrate that the source of the anomalous frequencies was suppressed by a simple fix and all main oxidizer valve damage was terminated.

  5. Energy transfer mechanism of GdPO4: RE3+ (RE= Tb, Tm) under VUV-UV excitation

    Institute of Scientific and Technical Information of China (English)

    LI; Lan; LI; Guangmin; WANG; Dajian; TAO; Yi; ZHANG; Xiaosong

    2006-01-01

    Polycrystal of GdPO4:RE3+(RE=Tb, Tm) phosphors were prepared by solid- state method. Vacuum ultraviolet excitation and emission spectrum and the energy transfer mechanism between the host and dopants of Tb3+ and Tm3+ were investigated respectively. The emission of Gd3+ at 313 nm was enhanced by the strong absorption of CTS of Tm3+ at 180 nm in GdPO4: Tm. It has also been concluded that the excitation of Gd3+ is transferred to Tb3+ and then emission peaks of 5DJ→7FJ of T b3 + were observed.

  6. Binding mechanisms of DNA/RNA nucleobases adsorbed on graphene under charging: first-principles van der Waals study

    Science.gov (United States)

    Gürel, Hikmet Hakan; Salmankurt, Bahadır

    2017-06-01

    Graphene is a 2D material that has attracted much attention due to its outstanding properties. Because of its high surface area and unique chemical and physical properties, graphene is a good candidate for biological applications. For this reason, a deep understanding of the mechanism of interaction of graphene with biomolecules is required. In this study, theoretical investigation of van der Waals effects has been conducted using density functional theory. Here we show that the order of the binding energies of five nucleobases with graphene is G  >  A  >  T  >  C  >   U. This trend is in good agreement with most of the theoretical and experimental data. Also, the effects of charging on the electronic and structural properties of the graphene-nucleubase systems are studied for the first time. We show that the binding energy can be changed by adding or removing an electron from the system. The results presented in this work provide fundamental insights into the quantum interactions of DNA with carbon-based nanostructures and will be useful for developments in biotechnology and nanotechnology.

  7. Nuclear Wavepacket Dynamics of Alkali Adsorbates on Metal Surfaces Studied by Time-Resolved Second Harmonic Generation

    Directory of Open Access Journals (Sweden)

    Kazuya Watanabe

    2012-01-01

    Full Text Available This paper reviews recent efforts to understand the dynamics of coherent surface vibrations of alkali atoms adsorbed on metal surfaces. Time-resolved second harmonic generation is used for the coherent excitation and detection of the nuclear wavepacket dynamics of the surface modes. The principles of the measurement and the experimental details are described. The main focus is on coverage and excitation photon energy dependences of the coherent phonon dynamics for Na-, K-, and Cs-covered Cu(111. The excitation mechanism of the coherent phonon has been revealed by the ultrafast time-domain technique and theoretical modelings.

  8. Adsorption mechanism of ester phosphate on baryum titanate in organic medium. Preliminary results on the structure of the adsorbed layer

    Science.gov (United States)

    Le Bars, N.; Tinet, D.; Faugère, A. M.; van Damme, H.; Levitz, P.

    1991-05-01

    The purpose of this work is to evidence the adsorption mechanism and the structure of commercial phosphate ester surfactant stabilized BaTiO3 in organic suspension, and to relate these characteristics to rheological behaviour. Binders and plasticizers are omitted to reduce the number of system components. Firstly adsorption isotherm were determined by inductively coupled argon plasma technique and interpretated based on transmission electron microscopy and ^{31}P nuclear magnetic resonance studies. Preliminary rheological measurements were then performed and related to suspension structure. Structure of the adsorption layer is critically discussed. L'objectif de cette étude est la compréhension du mécanisme d'adsorption d'agents dispersants phosphatés dans des suspensions organiques de BaTiO3, ainsi que la caractérisation de la structure, et du comportement rhéologique de ces suspensions. Liants et plastifiants ne sont pas utilisés, afin de réduire le nombre de composants dans le système. Dans un premier temps, l'isotherme d'adsorption est établie par dosage en émission plasma, puis interprétée sur la base de résultats de Microscopie Eloctronique à Transmission, et de spectroscopie par Résonance Magnétique Nucléaire du ^{31}P. Des mesures rhéologiques préliminaires sont effectuées pour caractériser la structure des suspensions.

  9. Dopamine D4 receptor excitation of lateral habenula neurons via multiple cellular mechanisms.

    Science.gov (United States)

    Good, Cameron H; Wang, Huikun; Chen, Yuan-Hao; Mejias-Aponte, Carlos A; Hoffman, Alexander F; Lupica, Carl R

    2013-10-23

    Glutamatergic lateral habenula (LHb) output communicates negative motivational valence to ventral tegmental area (VTA) dopamine (DA) neurons via activation of the rostromedial tegmental nucleus (RMTg). However, the LHb also receives a poorly understood DA input from the VTA, which we hypothesized constitutes an important feedback loop regulating DA responses to stimuli. Using whole-cell electrophysiology in rat brain slices, we find that DA initiates a depolarizing inward current (I(DAi)) and increases spontaneous firing in 32% of LHb neurons. I(DAi) was also observed upon application of amphetamine or the DA uptake blockers cocaine or GBR12935, indicating involvement of endogenous DA. I(DAi) was blocked by D4 receptor (D4R) antagonists (L745,870 or L741,742), and mimicked by a selective D4R agonist (A412997). I(DAi) was associated with increased whole-cell conductance and was blocked by Cs+ or a selective blocker of hyperpolarization-activated cyclic nucleotide-gated (HCN) ion channel, ZD7288. I(DAi) was also associated with a depolarizing shift in half-activation voltage for the hyperpolarization-activated cation current (Ih) mediated by HCN channels. Recordings from LHb neurons containing fluorescent retrograde tracers revealed that I(DAi) was observed only in cells projecting to the RMTg and not the VTA. In parallel with direct depolarization, DA also strongly increased synaptic glutamate release and reduced synaptic GABA release onto LHb cells. These results demonstrate that DA can excite glutamatergic LHb output to RMTg via multiple cellular mechanisms. Since the RMTg strongly inhibits midbrain DA neurons, activation of LHb output to RMTg by DA represents a negative feedback loop that may dampen DA neuron output following activation.

  10. High spatial and temporal resolution measurement of mechanical properties in hydrogels by non-contact laser excitation

    Directory of Open Access Journals (Sweden)

    N. Hosoya

    2016-09-01

    Full Text Available Gels have received increased attention as potential materials for biological materials because they can exhibit similar mechanical properties. One obstacle for using gels is that their mechanical properties are significantly altered by defects, such as an inhomogeneous crosslink density distribution. If these defects could be detected and the values and spatial distributions of mechanical properties in the gel could be determined, it would be possible to apply gels for several fields. To achieve the high spatial and temporal resolution measurement of mechanical properties in hydrogels, in our method, a conventional contact excitation device is replaced with a non-contact excitation using laser ablation for the input and magnetic resonance elastography to measure stress waves is replaced with the Schlieren method with a high-speed camera. Magnetic resonance elastography is a local measurement technique, and consequently, requires a lot of time to characterize a sample, as well as does not have sufficient spatial resolution to obtain a broad range of elasticity coefficients of gels. We use laser ablation to apply non-contact impulse excitations to gels to generate stress waves inside them. We can determine mechanical properties of gels using the stress waves’ propagation velocity.

  11. High spatial and temporal resolution measurement of mechanical properties in hydrogels by non-contact laser excitation

    Science.gov (United States)

    Hosoya, N.; Terashima, Y.; Umenai, K.; Maeda, S.

    2016-09-01

    Gels have received increased attention as potential materials for biological materials because they can exhibit similar mechanical properties. One obstacle for using gels is that their mechanical properties are significantly altered by defects, such as an inhomogeneous crosslink density distribution. If these defects could be detected and the values and spatial distributions of mechanical properties in the gel could be determined, it would be possible to apply gels for several fields. To achieve the high spatial and temporal resolution measurement of mechanical properties in hydrogels, in our method, a conventional contact excitation device is replaced with a non-contact excitation using laser ablation for the input and magnetic resonance elastography to measure stress waves is replaced with the Schlieren method with a high-speed camera. Magnetic resonance elastography is a local measurement technique, and consequently, requires a lot of time to characterize a sample, as well as does not have sufficient spatial resolution to obtain a broad range of elasticity coefficients of gels. We use laser ablation to apply non-contact impulse excitations to gels to generate stress waves inside them. We can determine mechanical properties of gels using the stress waves' propagation velocity.

  12. Photo-assisted intersystem crossing: The predominant triplet formation mechanism in some isolated polycyclic aromatic molecules excited with pulsed lasers

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Philip M., E-mail: Philip.johnson@stonybrook.edu [Department of Chemistry, Stony Brook University, Stony Brook, New York 11794-3400 (United States); Sears, Trevor J. [Department of Chemistry, Stony Brook University, Stony Brook, New York 11794-3400 (United States); Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973 (United States)

    2015-07-28

    Naphthalene, anthracene, and phenanthrene are shown to have very long-lived triplet lifetimes when the isolated molecules are excited with nanosecond pulsed lasers resonant with the lowest singlet state. For naphthalene, triplet state populations are created only during the laser pulse, excluding the possibility of normal intersystem crossing at the one photon level, and all molecules have triplet lifetimes greater than hundreds of microseconds, similar to the behavior previously reported for phenylacetylene. Although containing 7–12 thousand cm{sup −1} of vibrational energy, the triplet molecules have ionization thresholds appropriate to vibrationless T{sub 1} states. The laser power dependences (slopes of log-log power plots) of the excited singlet and triplet populations are about 0.7 for naphthalene and about 0.5 for anthracene. Kinetic modeling of the power dependences successfully reproduces the experimental results and suggests that the triplet formation mechanism involves an enhanced spin orbit coupling caused by sigma character in states at the 2-photon level. Symmetry adapted cluster-configuration interaction calculations produced excited state absorption spectra to provide guidance for estimating kinetic rates and the sigma character present in higher electronic states. It is concluded that higher excited state populations are significant when larger molecules are excited with pulsed lasers and need to be taken into account whenever discussing the molecular photodynamics.

  13. 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

  14. Multidimensional supersymmetric quantum mechanics: a scalar Hamiltonian approach to excited states by the imaginary time propagation method.

    Science.gov (United States)

    Chou, Chia-Chun; Kouri, Donald J

    2013-04-25

    Supersymmetric quantum mechanics (SUSY-QM) is shown to provide a novel approach to the construction of the initial states for the imaginary time propagation method to determine the first and second excited state energies and wave functions for a two-dimensional system. In addition, we show that all calculations are carried out in sector one and none are performed with the tensor sector two Hamiltonian. Through our tensorial approach to multidimensional supersymmetric quantum mechanics, we utilize the correspondence between the eigenstates of the sector one and two Hamiltonians to construct appropriate initial sector one states from sector two states for the imaginary time propagation method. The imaginary time version of the time-dependent Schrödinger equation is integrated to obtain the first and second excited state energies and wave functions using the split operator method for a two-dimensional anharmonic oscillator system and a two-dimensional double well potential. The computational results indicate that we can obtain the first two excited state energies and wave functions even when a quantum system does not exhibit any symmetry. Moreover, instead of dealing with the increasing computational complexity resulting from computations in the tensor sector two Hamiltonian, this study presents a new supersymmetric approach to calculations of accurate excited state energies and wave functions by directly using the scalar sector one Hamiltonian.

  15. Heat generation in an elastic binder system with embedded discrete energetic particles due to high-frequency, periodic mechanical excitation

    Science.gov (United States)

    Mares, J. O.; Miller, J. K.; Gunduz, I. E.; Rhoads, J. F.; Son, S. F.

    2014-11-01

    High-frequency mechanical excitation can induce heating within energetic materials and may lead to advances in explosives detection and defeat. In order to examine the nature of this mechanically induced heating, samples of an elastic binder (Sylgard 184) were embedded with inert and energetic particles placed in a fixed spatial pattern and were subsequently excited with an ultrasonic transducer at discrete frequencies from 100 kHz to 20 MHz. The temperature and velocity responses of the sample surfaces suggest that heating due to frictional effects occurred near the particles at excitation frequencies near the transducer resonance of 215 kHz. An analytical solution involving a heat point source was used to estimate heating rates and temperatures at the particle locations in this frequency region. Heating located near the sample surface at frequencies near and above 1 MHz was attributed to viscoelastic effects related to the surface motion of the samples. At elevated excitation parameters near the transducer resonance frequency, embedded particles of ammonium perchlorate and cyclotetramethylene-tetranitramine were driven to chemical decomposition.

  16. Mechanisms for Excited Neutrals and Negative and Positive Ion Desorption from Surfaces.

    Science.gov (United States)

    1985-10-01

    covalent and Auger stimultd. ionic systems, desorpt. ( RASD ) adsorbates aDuring+ the modification process (step 3),Xc can always result from X via...rescnant contributions (i.e., the DA and RASD contributions) were separated from the MPCI and ASD contributions (10,33]: and 3. the spectral lineshapes...con- " tribution, and the Ti .,3p -1 CIS spectrum [10] Re Psonan OH’decor) representing the RASD \\ / contribution. The fold ,f* 0KO S of the 0 K EELS

  17. The Hagen-Poiseuille, Plane Couette and Poiseuille Flows Linear Instability and Rogue Waves Excitation Mechanism

    Science.gov (United States)

    Chefranov, Sergey; Chefranov, Alexander

    2016-04-01

    Linear hydrodynamic stability theory for the Hagen-Poiseuille (HP) flow yields a conclusion of infinitely large threshold Reynolds number, Re, value. This contradiction to the observation data is bypassed using assumption of the HP flow instability having hard type and possible for sufficiently high-amplitude disturbances. HP flow disturbance evolution is considered by nonlinear hydrodynamic stability theory. Similar is the case of the plane Couette (PC) flow. For the plane Poiseuille (PP) flow, linear theory just quantitatively does not agree with experimental data defining the threshold Reynolds number Re= 5772 ( S. A. Orszag, 1971), more than five-fold exceeding however the value observed, Re=1080 (S. J. Davies, C. M. White, 1928). In the present work, we show that the linear stability theory conclusions for the HP and PC on stability for any Reynolds number and evidently too high threshold Reynolds number estimate for the PP flow are related with the traditional use of the disturbance representation assuming the possibility of separation of the longitudinal (along the flow direction) variable from the other spatial variables. We show that if to refuse from this traditional form, conclusions on the linear instability for the HP and PC flows may be obtained for finite Reynolds numbers (for the HP flow, for Re>704, and for the PC flow, for Re>139). Also, we fit the linear stability theory conclusion on the PP flow to the experimental data by getting an estimate of the minimal threshold Reynolds number as Re=1040. We also get agreement of the minimal threshold Reynolds number estimate for PC with the experimental data of S. Bottin, et.al., 1997, where the laminar PC flow stability threshold is Re = 150. Rogue waves excitation mechanism in oppositely directed currents due to the PC flow linear instability is discussed. Results of the new linear hydrodynamic stability theory for the HP, PP, and PC flows are published in the following papers: 1. S.G. Chefranov, A

  18. Mechanism for excitation-dependent photoluminescence from graphene quantum dots and other graphene oxide derivates: consensus, debates and challenges

    Science.gov (United States)

    Gan, Zhixing; Xu, Hao; Hao, Yanling

    2016-04-01

    Luminescent nanomaterials, with wide applications in biosensing, bioimaging, illumination and display techniques, have been consistently garnering enormous research attention. In particular, those with wavelength-controllable emissions could be highly beneficial. Carbon nanostructures, including graphene quantum dots (GQDs) and other graphene oxide derivates (GODs), with excitation-dependent photoluminescence (PL), which means their fluorescence color could be tuned simply by changing the excitation wavelength, have attracted lots of interest. However the intrinsic mechanism for the excitation-dependent PL is still obscure and fiercely debated presently. In this review, we attempt to summarize the latest efforts to explore the mechanism, including the quantum confinement effect, surface traps model, giant red-edge effect, edge states model and electronegativity of heteroatom model, as well as the newly developed synergistic model, to seek some clues to unravel the mechanism. Meanwhile the controversial difficulties for each model are further discussed. Besides this, the challenges and potential influences of the synthetic methodology and development of the materials are illustrated extensively to elicit more thought and constructive attempts toward their application.

  19. Excited states

    CERN Document Server

    Lim, Edward C

    1974-01-01

    Excited States, Volume I reviews radiationless transitions, phosphorescence microwave double resonance through optical spectra in molecular solids, dipole moments in excited states, luminescence of polar molecules, and the problem of interstate interaction in aromatic carbonyl compounds. The book discusses the molecular electronic radiationless transitions; the double resonance techniques and the relaxation mechanisms involving the lowest triplet state of aromatic compounds; as well as the optical spectra and relaxation in molecular solids. The text also describes dipole moments and polarizab

  20. Nonlinear Analysis of Mechanical Systems Under Combined Harmonic and Stochastic Excitation

    Science.gov (United States)

    1993-05-27

    autonomous system is studied. The effect of studied by several authors in the past ( Caprino et a]. periodic parametric excitations is examined on systems...Resonance," (in preparation). 3. Caprino , S., Maffei, C., and Negrini, P., 1984, "Hopf 17. Namachchivaya, N. Sri, and Malhotra, N., 1! Bifurcation with

  1. Stochastic stability of mechanical systems under renewal jump process parametric excitation

    DEFF Research Database (Denmark)

    Iwankiewicz, R.; Nielsen, Søren R.K.; Larsen, Jesper Winther

    2005-01-01

    if the state space is augmented by the products of the original state variables and the excitation variable. Asymptotic mean and mean-square stability as well as asymptotic sample (Lyapunov) stability with probability 1 are investigated. The Lyapunov exponents have been evaluated both by the direct simulation...

  2. Kisspeptin and GnRH Neuronal Excitability: Molecular Mechanisms Driven by 17β-Estradiol

    Science.gov (United States)

    Rønnekleiv, Oline K.; Zhang, Chunguang; Bosch, Martha A.; Kelly, Martin J.

    2014-01-01

    Kisspeptin is a neuropeptide that signals via a Gαq-coupled receptor, GPR54, in gonadotropin-releasing hormone (GnRH) neurons and is essential for pubertal maturation and fertility. Kisspeptin depolarizes and excites GnRH neurons primarily through the activation of canonical transient receptor potential (TRPC) channels and inhibition of K+ channels. The gonadal steroid 17β-estradiol (E2) up-regulates not only kisspeptin (Kiss1) mRNA, but also increases the excitability of the rostral forebrain Kiss1 neurons. In addition, a primary postsynaptic action of E2 on GnRH neurons is to up-regulate the expression of channel transcripts that orchestrate the downstream signaling of kisspeptin in GnRH neurons. These include not only TRPC4 channels, but also low voltage-activated T-type calcium channels and high voltage-activated L-, N- and R-type calcium channel transcripts. Moreover, E2 has direct membrane-initiated actions to alter the excitability of GnRH neurons by enhancing ATP-sensitive potassium (KATP) channel activity, which is critical for maintaining GnRH neurons in a hyperpolarized state for recruitment of T-type calcium channels that are important for burst firing. Therefore, E2 modulates the excitability of GnRH neurons as well as Kiss1 neurons by altering the expression and/or function of ion channels; and kisspeptin provides critical excitatory input to GnRH neurons to facilitate burst firing activity and peptide release. PMID:25612870

  3. Charge-transfer state excitation as the main mechanism of the photodarkening process in ytterbium-doped aluminosilicate fibres

    Energy Technology Data Exchange (ETDEWEB)

    Bobkov, K K; Rybaltovsky, A A; Vel' miskin, V V; Likhachev, M E; Bubnov, M M; Dianov, E M [Fiber Optics Research Center, Russian Academy of Sciences, Moscow (Russian Federation); Umnikov, A A; Gur' yanov, A N; Vechkanov, N N [G.G.Devyatykh Institute of Chemistry of High-Purity Substances, Russian Academy of Sciences, Nizhnii Novgorod (Russian Federation); Shestakova, I A [Open Joint-Stock Company M.F. Stel' makh Polyus Research Institute, Moscow (Russian Federation)

    2014-12-31

    We have studied photodarkening in ytterbium-doped fibre preforms with an aluminosilicate glass core. Analysis of their absorption and luminescence spectra indicates the formation of stable Yb{sup 2+} ions in the glass network under IR laser pumping at a wavelength λ = 915 nm and under UV irradiation with an excimer laser (λ = 193 nm). We have performed comparative studies of the luminescence spectra of the preforms and crystals under excitation at a wavelength of 193 nm. The mechanism behind the formation of Yb{sup 2+} ions and aluminium – oxygen hole centres (Al-OHCs), common to ytterbium-doped YAG crystals and aluminosilicate glass, has been identified: photoinduced Yb{sup 3+} charge-transfer state excitation. (optical fibres)

  4. On Novel Mechanism of a Pump Electromagnetic Wave Absolute Two-Plasmon Parametric Decay Instability Excitation in Tokamak ECRH Experiments

    CERN Document Server

    Gusakov, E Z

    2016-01-01

    Novel mechanism leading to excitation of absolute two plasmon parametric decay instability (TPDI) of a pump extraordinary (X) wave is discussed. It is shown that the upper hybrid (UH) plasmon can be 3D trapped in the presence of both a nonmonotonous density profile and a finite-size pump beam in a plane perpendicular to the plasma inhomogeneity direction. This leads to excitation of the absolute TPDI of the pump X wave, which manifests itself in temporal exponential growth of the trapped daughter UH wave amplitude and is perhaps the most dangerous instability for mm-waves, widely utilized nowadays in tokamak and stellarators for local plasma heating and current drive and being considered for application in ITER.

  5. Cooling a mechanical resonator with nitrogen-vacancy centres using a room temperature excited state spin-strain interaction

    Science.gov (United States)

    Macquarrie, E. R.; Otten, M.; Gray, S. K.; Fuchs, G. D.

    2017-02-01

    Cooling a mechanical resonator mode to a sub-thermal state has been a long-standing challenge in physics. This pursuit has recently found traction in the field of optomechanics in which a mechanical mode is coupled to an optical cavity. An alternate method is to couple the resonator to a well-controlled two-level system. Here we propose a protocol to dissipatively cool a room temperature mechanical resonator using a nitrogen-vacancy centre ensemble. The spin ensemble is coupled to the resonator through its orbitally-averaged excited state, which has a spin-strain interaction that has not been previously studied. We experimentally demonstrate that the spin-strain coupling in the excited state is 13.5+/-0.5 times stronger than the ground state spin-strain coupling. We then theoretically show that this interaction, combined with a high-density spin ensemble, enables the cooling of a mechanical resonator from room temperature to a fraction of its thermal phonon occupancy.

  6. Separation of atmospheric, oceanic and hydrological polar motion excitation mechanisms by a combination of geometric and gravimetric space observations

    Science.gov (United States)

    Göttl, Franziska; Schmidt, Michael; Seitz, Florian; Blossfeld, Mathis

    2014-05-01

    Redistribution and motion of masses within and between the individual subsystems of the Earth cause variations of the orientation of the Earth axis with respect to an Earth-fixed reference frame (polar motion and length-of-day variations). Whereas the integral effect of Earth rotation is precisely measured by geometric space techniques, such as Satellite Laser Ranging (SLR), Very Long Baseline Interferometry (VLBI), Global Navigation Satellite Systems (GNSS) and Doppler Orbit determination and Radiopositioning Integrated on Satellite (DORIS), the separation into individual excitation mechanisms remains a challenge. Commonly, individual geophysical excitation mechanisms of Earth rotation are derived from geophysical models. Due to the fact that geophysical models are afflicted with uncertainties, results derived from different model show large discrepancies. Here we present an adjustment model which allows to combine precise observations from space geodetic observation systems (SLR, VLBI, GNSS, DORIS, satellite altimetry and satellite gravimetry) in order to separate geophysical excitation mechanisms of the Earth rotation. Time variable gravity field solutions from GRACE (Gravity Recovery and Climate Experiment) are used to determine not only the integral mass effect but also the oceanic and hydrological mass effects by applying suitable filter techniques and land-ocean-masks. Furthermore the oceanic mass effect is determined from sea level anomalies as observed by cross-calibrated multi-mission altimetry. Due to the fact that sea level anomalies are not only caused by mass variations but also by volume changes (steric effect), these steric sea level anomalies need to be reduced using appropriate models. We show that through the combination weaknesses of the individual processing strategies can be compensated and the technique specific strengths can be optimally accounted for. This way, excitation functions of atmospheric, oceanic and hydrological mass effects and

  7. Mechanism of radical cation formation from the excited states of zeaxanthin and astaxanthin in chloroform.

    Science.gov (United States)

    Han, Rui-Min; Tian, Yu-Xi; Wu, Yi-Shi; Wang, Peng; Ai, Xi-Cheng; Zhang, Jian-Ping; Skibsted, Leif H

    2006-01-01

    The C-40 xanthophylls zeaxanthin and astaxanthin were confirmed to form radical cations, Car.+, in the electron-accepting solvent chloroform by direct excitation using subpicosecond time-resolved absorption spectroscopy in combination with spectroelectrochemical determination of the near-infrared absorption of Car.+. For the singlets, the S2(1B(u+) state and most likely the S(x)(3A(g)-) state directly eject electrons to chloroform leading to the rapid formation of Car.+ on a timescale of approximately 100 fs; the lowest-lying S1(2A(g)-) state, however, remains inactive. Standard reduction potential for Car.+ was determined by cyclic voltametry to have the value 0.63 V for zeaxanthin and 0.75 V for astaxanthin from which excited state potentials were calculated, which confirmed the reactivity toward radical cation formation. On the other hand, Car.+ formation from the lowest triplet excited state T1 populated through anthracene sensitization is mediated by a precursor suggested to be a solute-solvent complex detected with broad near-infrared absorption to the shorter wavelength side of the characteristic Car.+ absorption. However, ground state carotenoids are able to react with a secondary solvent radical to yield Car.+, a process occurring within 16 micros for zeaxanthin and within 21 mus for astaxanthin. Among the two xanthophylls together with lycopene and beta-carotene, all having 11 conjugated double bonds, zeaxanthin ranks with the highest reactivity in forming Car.+ from either the S2(1B(u+)) or the ground state. The effects of substituent groups on the reactivity are discussed.

  8. Statistical mechanics of magnetic excitations from spin waves to stripes and checkerboards

    CERN Document Server

    Rastelli, Enrico

    2013-01-01

    The aim of this advanced textbook is to provide the reader with a comprehensive explanation of the ground state configurations, the spin wave excitations and the equilibrium properties of spin lattices described by the Ising-Heisenberg Hamiltonians in the presence of short (exchange) and long range (dipole) interactions.The arguments are presented in such detail so as to enable advanced undergraduate and graduate students to cross the threshold of active research in magnetism by using both analytic calculations and Monte Carlo simulations.Recent results about unorthodox spin configurations suc

  9. Rotational excitation of water by hydrogen molecules: comparison of results from classical and quantum mechanics.

    Science.gov (United States)

    Faure, Alexandre; Wiesenfeld, Laurent; Wernli, Michael; Valiron, Pierre

    2006-06-07

    Quasiclassical trajectory calculations are carried out for rotational excitation of water by hydrogen molecules. State-to-state rate coefficients are determined at 100 K and are compared to available quantum results. A good agreement between classical and quantum rates is observed for downward transitions, with an average accuracy of classical results better than a factor of 2. It is thus found that the ambiguities described by Faure and Wiesenfeld [J. Chem. Phys. 121, 6771 (2004)] can be solved in the particular case of waterlike asymmetric-top molecules.

  10. ADSORBENTS USED IN THE CLEARANCE OF ENDOTOXIN

    Institute of Scientific and Technical Information of China (English)

    YU Mei; LIU Tao; Hou Guanghui; YUAN Zhi

    2003-01-01

    A series of modified poly (methyl methacrylate, PMMA) resins were prepared and compared their adsorption abilities to endotoxin. The results showed that adsorbents, which were grafted with tertiary amine and long spacing arms, had the best adsorption capacities and good blood compatibility, It is hopeful to be used as adsorbent in hemoperfusion for clinical clearance of endotoxin. The influence of original concentration of endotoxin on adsorption and the adsorption mechanism were also investigated.

  11. Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution.

    Science.gov (United States)

    Pirojsirikul, Teerapong; Götz, Andreas W; Weare, John; Walker, Ross C; Kowalski, Karol; Valiev, Marat

    2017-07-05

    Combined quantum mechanical molecular mechanics (QM/MM) calculations have become a popular methodology for efficient and accurate description of large molecular systems. In this work we introduce our development of a QM/MM framework based on two well-known codes-NWChem and AMBER. As an initial application area we are focused on excited state properties of small molecules in an aqueous phase using an analogue of the green fluorescent protein (GFP) chromophore as a particular test case. Our approach incorporates high level coupled cluster theory for the analysis of excited states providing a reliable theoretical analysis of effects of an aqueous solvation environment on the photochemical properties of the GFP chromophore. Using a systematic approach, which involves comparison of gas phase and aqueous phase results for different protonation states and conformations, we resolve existing uncertainties regarding the theoretical interpretation of experimental data. We observe that the impact of aqueous environment on charged states generally results in blue shifts of the absorption spectra, but the magnitude of the effect is sensitive to both protonation state and conformation and can be rationalized based on charge movement into the area of higher/lower external electrostatic potentials. At neutral pH levels the experimentally observed absorption signal is most likely coming from the phenol protonated form. Our results also show that the high level electron correlated method is essential for a proper description of excited states of GFP. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  12. Mechanical properties of boron-nitride nanotubes after intense femtosecond-laser excitation.

    Science.gov (United States)

    Bauerhenne, Bernd; Zijlstra, Eeuwe S; Kalitsov, Alan; Garcia, Martin E

    2014-04-11

    A femtosecond-laser pulse constitutes an unconventional tool to manipulate solids and nanostructures, for it may excite materials in a transient nonthermal state with hot electrons and atoms close to their initial temperature. Here we study the Young's modulus and the electronic band gap of a (5, 0) zigzag boron-nitride nanotube (BNNT) after an ultrashort laser pulse excitation using density functional theory, where the effect of a femtosecond-laser pulse is modelled by an instantaneous rise of the electronic temperature. At room temperature, before the laser pulse, we obtain a Young's modulus of 763 GPa, which decreases with increasing electronic temperature. For the band gap we find a value of 2.26 eV at room temperature, which increases with increasing electronic temperature and equals 3.28 eV at 28 420 K. We note that conventional means decrease the band gap of BNNTs and that a femtosecond-laser pulse is, to the best of our knowledge, the first tool that increases it. For comparison, we also present results for a (9, 0) zigzag BNNT.

  13. Some observations on the development of superior photocatalytic systems for application to water purification by the "adsorb and shuttle" or the interphase charge transfer mechanisms.

    Science.gov (United States)

    Langford, Cooper; Izadifard, Maryam; Radwan, Emad; Achari, Gopal

    2014-11-26

    Adsorb and shuttle (A/S) and interfacial charge transfer are the two major strategies for overcoming recombination in photocatalysis in this era of nanoparticle composites. Their relationships are considered here. A review of key literature is accompanied by a presentation of three new experiments within the overall aim of assessing the relation of these strategies. The cases presented include: A/S by a high silica zeolite/TiO2 composite, charge transfer (CT) between phases in a TiO2/WO3 composite and both A/S and CT by composites of TiO2 with powered activated carbon (AC) and single-walled carbon nanotubes (SWCNT). The opportunities presented by the two strategies for moving toward photocatalysts that could support applications for the removal of contaminants from drinking water or that lead to a practical adsorbent for organics that could be regenerated photocatalytically link this discussion to ongoing research here.

  14. Some Observations on the Development of Superior Photocatalytic Systems for Application to Water Purification by the “Adsorb and Shuttle” or the Interphase Charge Transfer Mechanisms

    Directory of Open Access Journals (Sweden)

    Cooper Langford

    2014-11-01

    Full Text Available Adsorb and shuttle (A/S and interfacial charge transfer are the two major strategies for overcoming recombination in photocatalysis in this era of nanoparticle composites. Their relationships are considered here. A review of key literature is accompanied by a presentation of three new experiments within the overall aim of assessing the relation of these strategies. The cases presented include: A/S by a high silica zeolite/TiO2 composite, charge transfer (CT between phases in a TiO2/WO3 composite and both A/S and CT by composites of TiO2 with powered activated carbon (AC and single-walled carbon nanotubes (SWCNT. The opportunities presented by the two strategies for moving toward photocatalysts that could support applications for the removal of contaminants from drinking water or that lead to a practical adsorbent for organics that could be regenerated photocatalytically link this discussion to ongoing research here.

  15. Testing two-nucleon transfer reaction mechanism with elementary modes of excitation in exotic nuclei

    CERN Document Server

    Broglia, R A; Idini, A; Barranco, F; Vigezzi, E

    2015-01-01

    Nuclear Field Theory of structure and reactions is confronted with observations made on neutron halo dripline nuclei, resulting in the prediction of a novel (symbiotic) mode of nuclear excitation, and on the observation of the virtual effect of the halo phenomenon in the apparently non-halo nucleus $^7$Li. This effect is forced to become real by intervening the virtual process with an external (t,p) field which, combined with accurate predictive abilities concerning the absolute differential cross section, reveals an increase of a factor 2 in the cross section due to the presence of halo ground state correlations, and is essential to reproduce the value of the observed $d \\sigma(^7$Li(t,p)$^9$Li)/d$\\Omega$.

  16. Excited electronic state decomposition mechanisms of clusters of dimethylnitramine and aluminum

    Indian Academy of Sciences (India)

    Anupam Bera; Atanu Bhattacharya

    2015-01-01

    In this report, electronically non-adiabatic decomposition pathways of clusters of dimethylnitramine and aluminum (DMNA-Al and DMNA-Al2) are discussed in comparison to isolated dimethylnitramine (DMNA). Electronically excited state processes of DMNA-Al and DMNA-Al2 are explored using the complete active space self-consistent field (CASSCF) and the restricted active space self-consistent field (RASSCF) theories, respectively. Similar to the nitro-nitrite isomerization reaction pathway of DMNA, DMNA-Al clusters also exhibit isomerization pathway. However, it involves several other steps, such as, first Al-O bond dissociation, then N-N bond dissociation followed by isomerization and finally NO elimination. Furthermore, DMNA-Al clusters exhibit overall exothermic decomposition reaction pathway and isolated DMNA shows overall endothermic reaction channel.

  17. Q-factor control of a microcantilever by mechanical sideband excitation

    NARCIS (Netherlands)

    Venstra, W.J.; Westra, H.J.R.; Van der Zant, H.S.J.

    2011-01-01

    We demonstrate the coupling between the fundamental and second flexural modes of a microcantilever. A mechanical analogue of cavity-optomechanics is then employed, where the mechanical cavity is formed by the second vibrational mode of the same cantilever, coupled to the fundamental mode via the geo

  18. Power flow in a small electromagnetic energy harvesting system excited by mechanical motion

    CERN Document Server

    Helseth, Lars Egil

    2014-01-01

    In this study the power flow in a coupled mechanical and electromagnetic harvesting system in presence of both positional and electrical fluctuations is analyzed. Explicit expressions for the power into and out of the mechanical and electrical parts of the system are found in the case of weak coupling, and it is shown how the power flows between the domains consistent with energy conservation. The case of thermal fluctuations is considered in particular, and use of the fluctuation-dissipation theorem explicitly demonstrates that the power delivered to the mechanical system from the electrical system is the same as the power delivered to the electrical system from the mechanical system. On the other hand, the power dissipated in the electrical circuit is not the same as the power transferred from the mechanical domain if the electrical circuit contains its own current fluctuations. The electrical noise power dissipated in a load resistor is calculated, and found to consist of a component due to electromagnetic...

  19. The dynamic excitation of a granular chain for biomedical ultrasound applications: contact mechanics finite element analysis and validation

    Science.gov (United States)

    Gélat, P.; Yang, J.; Thomas, P. J.; Hutchins, D. A.; Akanji, O.; Davis, L. A. J.; Freear, S.; Harput, S.; Saffari, N.

    2016-01-01

    There has been recent interest in the transmission of acoustic signals along granular chains of spherical beads to produce waveforms of relevance to biomedical ultrasound applications. Hertzian contact between adjacent beads can introduce different harmonic content into the signal as it propagates. This transduction mechanism has the potential to be of use in both diagnostic and therapeutic ultrasound applications, and is the object of the study presented here. Although discrete dynamics models of this behaviour exist, a more comprehensive solution must be sought if changes in shape and deformation of individual beads are to be considered. Thus, the finite element method was used to investigate the dynamics of a granular chain of six, 1 mm diameter chrome steel spherical beads excited at one end using a sinusoidal displacement signal at 73 kHz. Output from this model was compared with the solution provided by the discrete dynamics model, and good overall agreement obtained. In addition, it was able to resolve the complex dynamics of the granular chain, including the multiple collisions which occur. It was demonstrated that under dynamic excitation conditions, the inability of discrete mechanics models to account for elastic deformation of the beads when these lose contact, could lead to discrepancies with experimental observations.

  20. IR investigations of surfaces and adsorbates

    CERN Document Server

    Gwyn, W

    2001-01-01

    Synchrotron infrared reflection-absorption measurements on single crystal metal surfaces with adsorbates have led to the determination of many key parameters related to the bonding vibrational modes and the dynamics of adsorbates. In particular, energy couplings between electrons and adsorbate motion have been shown to be a dominant mechanism on metal surfaces. Excellent agreement has been obtained with calculations for many of the observations, and the synergy between theory and experiment has led to a deeper understanding of the roles of electrons and phonons in determining the properties of interfaces and their roles in phenomena as diverse as friction, lubrication, catalysis and adhesion. Nonetheless, as the experiments are pushed harder, to describe such effects as co-adsorbed systems, disagreements continue to challenge the theory and our comprehension also is still evolving.

  1. 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.

  2. Chitin Adsorbents for Toxic Metals: A Review.

    Science.gov (United States)

    Anastopoulos, Ioannis; Bhatnagar, Amit; Bikiaris, Dimitrios N; Kyzas, George Z

    2017-01-07

    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.

  3. Separation of indium(Ⅲ),gallium(Ⅲ),and zinc(Ⅱ) with Levextrel resin containing di(2-ethylhexyl) phosphoric acid (CL-P204):Part Ⅱ.Mechanism and kinetics of adsorbing indium(Ⅲ)

    Institute of Scientific and Technical Information of China (English)

    LIU Junshen; ZHOU Baoxue; CAI Chunguang; CAI Jun; CAI Weimin

    2004-01-01

    The mechanism of adsorbing indium(Ⅲ) from sulfate solutions with CL-P204 Levextrel resin containing di(-2-ethylhexyl) phosphoric acid was examined by batch operation and infrared spectra. The results showed that the P204 adsorbed on the resin behaved in the similar way to solvent extraction except that it was as a monomer in resin adsorbing but in dimeric form in solvent extraction. Three factors including temperature, indium(Ⅲ) concentration of solution, and the size of resin particles which influence the In3+/H+ exchange on CL-P204 Levextrel resin were investigated by the modified limited batch technique in order to determine the kinetics of In3+/H+ exchange. It was found that the rate of ion exchange increased with the temperature and the concentration of solution increasing and with the size of the resin particles decreasing.According to the expression developed by Boyd et al., the controlling factor of In3+/H+ exchange on CL-P204 Levextrel resin was the diffusion through the resin particles. The effective diffusion coefficient, activation energy, and entropy of activation in the particle-diffusion were determined as 1.57 x l0-10 m2/s, 11.9 KJ/mol, -84.1 J/(mol. K), respectively.

  4. Nature of excited states and relaxation mechanisms in C-phycocyanin.

    Science.gov (United States)

    Womick, Jordan M; Moran, Andrew M

    2009-12-03

    The electronic structure and photoinduced relaxation dynamics of the cyanobacterial light harvesting protein, C-Phycocyanin (CPC), are examined using transient grating and two-dimensional (2D) photon echo spectroscopies possessing sub-20 fs time resolution. In combination with linear absorption and fluorescence measurements, these time-resolved experiments are used to constrain the parameters of a Frenkel exciton Hamiltonian. Particular emphasis is placed on elucidating the nature of excited states involving the alpha84 and beta84 phycocyanobilin pigment dimers of CPC. This paper obtains new experimental evidence suggesting that electronic relaxation proceeds by way of incoherent energy transfer between the alpha84 and beta84 pigment sites (i.e., the weak coupling limit of energy transfer). Transient absorption anisotropies simulated in the weak coupling limit agree well with measurements, whereas signals computed in an exciton basis possess short-lived (electronic) coherent components not present in the experimental data. In addition, 2D photon echo spectra for CPC show no sign of the interfering nonlinearities predicted by a theoretical model to be characteristic of exciton formation. Another important new observation is that the sub-100 fs dynamics in the transient absorption anisotropy are dominated by an impulsively excited hydrogen out-of-plane wagging mode similar to those observed in phytochrome and retinal. Detection of this 795 cm(-1) coherence is of particular interest because our recent study of a closely related protein, Allophycocyanin (APC), assigns a similar coordinate as a promoting mode enabling ultrafast internal conversion. Together, the experiments conducted for APC and CPC suggest that interactions between the pigments and environment are the key to understanding why electronic relaxation in CPC is more than three times slower than APC despite the nearly identical geometries of the pigment dimers. Most important in reaching this conclusion is

  5. Neuronal Atrophy Early in Degenerative Ataxia Is a Compensatory Mechanism to Regulate Membrane Excitability.

    Science.gov (United States)

    Dell'Orco, James M; Wasserman, Aaron H; Chopra, Ravi; Ingram, Melissa A C; Hu, Yuan-Shih; Singh, Vikrant; Wulff, Heike; Opal, Puneet; Orr, Harry T; Shakkottai, Vikram G

    2015-08-12

    Neuronal atrophy in neurodegenerative diseases is commonly viewed as an early event in a continuum that ultimately results in neuronal loss. In a mouse model of the polyglutamine disorder spinocerebellar ataxia type 1 (SCA1), we tested the hypothesis that cerebellar Purkinje neuron atrophy serves an adaptive role rather than being simply a nonspecific response to injury. In acute cerebellar slices from SCA1 mice, we find that Purkinje neuron pacemaker firing is initially normal but, with the onset of motor dysfunction, becomes disrupted, accompanied by abnormal depolarization. Remarkably, subsequent Purkinje cell atrophy is associated with a restoration of pacemaker firing. The early inability of Purkinje neurons to support repetitive spiking is due to unopposed calcium currents resulting from a reduction in large-conductance calcium-activated potassium (BK) and subthreshold-activated potassium channels. The subsequent restoration of SCA1 Purkinje neuron firing correlates with the recovery of the density of these potassium channels that accompanies cell atrophy. Supporting a critical role for BK channels, viral-mediated increases in BK channel expression in SCA1 Purkinje neurons improves motor dysfunction and partially restores Purkinje neuron morphology. Cerebellar perfusion of flufenamic acid, an agent that restores the depolarized membrane potential of SCA1 Purkinje neurons by activating potassium channels, prevents Purkinje neuron dendritic atrophy. These results suggest that Purkinje neuron dendritic remodeling in ataxia is an adaptive response to increases in intrinsic membrane excitability. Similar adaptive remodeling could apply to other vulnerable neuronal populations in neurodegenerative disease. In neurodegenerative disease, neuronal atrophy has long been assumed to be an early nonspecific event preceding neuronal loss. However, in a mouse model of spinocerebellar ataxia type 1 (SCA1), we identify a previously unappreciated compensatory role for neuronal

  6. A Mechanism of Exciting Planetary Inclination and Eccentricity through a Residual Gas Disk

    CERN Document Server

    Chen, Yuan-Yuan; Zhao, Gang; Zhou, Ji-Lin

    2013-01-01

    Accordling to the theory of Kozai resonance, the initial mutual inclination between a small body and a massive planet in an outer circular orbit is as high as $\\sim39.2^{\\circ}$ for pumping the eccentricity of the inner small body. Here we show that, with the presence of a residual gas disk outside two planetary orbits, the inclination can be reduced as low as a few degrees. The presence of disk changes the nodal precession rates and directions of the planet orbits. At the place where the two planets achieve the same nodal processing rate, vertical secular resonance would occur so that mutual inclination of the two planets will be excited, which might trigger the Kozai resonance between the two planets further. However, in order to pump an inner Jupiter-like planet, the conditions required for the disk and the outer planet are relatively strict. We develop a set of evolution equations, which can fit the N-body simulation quite well but be integrated within a much shorter time. By scanning the parameter spaces...

  7. Comparison of the relaxation of sessile drops driven by harmonic and stochastic mechanical excitations.

    Science.gov (United States)

    Ruiz-Cabello, F J Montes; Rodríguez-Valverde, M A; Cabrerizo-Vílchez, M A

    2011-07-19

    Currently, there is no conclusive evidence regarding the global equilibrium condition of vibrated drops. However, it is well-known that vibration of sessile drops effectively reduces the contact angle hysteresis. In this work, applying a recent methodology for evaluating the most-stable contact angle, we examined the impact of the type of excitation signal (random signal versus periodical signal) on the values of the most-stable contact angle for polymer surfaces. Using harmonic signals, the oscillation frequency affected the postvibration contact angle. Instead, the white noise signal enabled sessile drops to relax regardless of their initial configuration. In spite of that, the values of most-stable contact angle obtained with different signals mostly agreed. We concluded that not only the amount of relaxation can be important for relaxing a sessile drop but also the rate of relaxation. Together with receding contact angle, most-stable contact angle, measured with the proposed methodology, was able to capture the thermodynamic changes of "wetted" polymer surfaces.

  8. Mechanisms of excitation-contraction uncoupling relevant to activity-induced muscle fatigue.

    Science.gov (United States)

    Lamb, Graham D

    2009-06-01

    If the free [Ca2+] in the cytoplasm of a skeletal muscle fiber is raised substantially for a period of seconds to minutes or to high levels just briefly, it leads to disruption of the normal excitation-contraction (E-C) coupling process and a consequent long-lasting decrease in force production. It appears that the disruption to the coupling occurs at the triad junction, where the voltage-sensor molecules (dihydropyridine receptors) normally interact with and open the Ca2+ release channels (ryanodine receptors) in the adjacent sarcoplasmic reticulum (SR). This disruption results in inadequate release of SR Ca2+ upon stimulation. Such E-C uncoupling may underlie the long-duration low-frequency fatigue that can occur after various types of exercise, as well as possibly being a contributing factor to the muscle weakness in certain muscle diseases. The process or processes causing the disruption of the coupling between the voltage sensors and the release channels is not known with certainty, but might be associated with structural changes at the triad junction, possibly caused by activation of the Ca2+-dependent protease, micro-calpain.

  9. Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

    Science.gov (United States)

    Samosvat, D. M.; Chikalova-Luzina, O. P.; Vyatkin, V. M.; Zegrya, G. G.

    2016-11-01

    In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones.

  10. Raman Laser Spectrometer internal Optical Head current status: opto-mechanical redesign to minimize the excitation laser trace

    Science.gov (United States)

    Sanz, Miguel; Ramos, Gonzalo; Moral, Andoni; Pérez, Carlos; Belenguer, Tomás; del Rosario Canchal, María; Zuluaga, Pablo; Rodriguez, Jose Antonio; Santiago, Amaia; Rull, Fernando; Instituto Nacional de Técnica Aeroespacial (INTA), Universidad de Valladolid (UVa), Ingeniería de Sistemas para la Defesa de España S.A. (ISDEFE)

    2016-10-01

    Raman Laser Spectrometer (RLS) is the Pasteur Payload instruments of the ExoMars mission, within the ESA's Aurora Exploration Programme, that will perform for the first time in an out planetary mission Raman spectroscopy. RLS is composed by SPU (Spectrometer Unit), iOH (Internal Optical Head), and ICEU (Instrument Control and Excitation Unit). iOH focuses the excitation laser on the samples (excitation path), and collects the Raman emission from the sample (collection path, composed on collimation system and filtering system). The original design presented a high laser trace reaching to the detector, and although a certain level of laser trace was required for calibration purposes, the high level degrades the Signal to Noise Ratio confounding some Raman peaks.The investigation revealing that the laser trace was not properly filtered as well as the iOH opto-mechanical redesign are reported on. After the study of the Long Pass Filters Optical Density (OD) as a function of the filtering stage to the detector distance, a new set of filters (Notch filters) was decided to be evaluated. Finally, and in order to minimize the laser trace, a new collection path design (mainly consisting on that the collimation and filtering stages are now separated in two barrels, and on the kind of filters to be used) was required. Distance between filters and collimation stage first lens was increased, increasing the OD. With this new design and using two Notch filters, the laser trace was reduced to assumable values, as can be observed in the functional test comparison also reported on this paper.

  11. 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.

  12. Approximate inclusion of triple excitations in combined coupled cluster/molecular mechanics: Calculations of electronic excitation energies in solution for acrolein, water, formamide, and n-methylacetamide

    DEFF Research Database (Denmark)

    Sneskov, Kristian; Gras, Eduard Matito; Kongsted, Jacob

    2010-01-01

    as being applicable for averaging over many solvent configurations derived from, for example, molecular simulations. We test the proposed model using as a benchmark the two lowest-lying valence singlet excitations (n → π* and π → π*) of acrolein, formamide, and N-methylacetamide in aqueous solution as well...

  13. Atom-Specific Identification of Adsorbed Chiral Molecules by Photoemission

    Science.gov (United States)

    Kim, J. W.; Carbone, M.; Dil, J. H.; Tallarida, M.; Flammini, R.; Casaletto, M. P.; Horn, K.; Piancastelli, M. N.

    2005-09-01

    The study of chiral adsorbed molecules is important for an analysis of enantioselectivity in heterogeneous catalysis. Here we show that such molecules can be identified through circular dichroism in core-level photoemission arising from the chiral carbon atoms in stereoisomers of 2,3-butanediol molecules adsorbed on Si(100), using circularly polarized x rays. The asymmetry in the carbon 1s intensity excited by right and left circularly polarized light is readily observed, and changes sign with the helicity of the radiation or handedness of the enantiomers; it is absent in the achiral form of the molecule. This observation demonstrates the possibility of determining molecular chirality in the adsorbed phase.

  14. Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Pirojsirikul, Teerapong [Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive La Jolla California 92093; Götz, Andreas W. [San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Drive La Jolla California 92093; Weare, John [Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive La Jolla California 92093; Walker, Ross C. [Department of Chemistry and Biochemistry, University of California San Diego, 9500 Gilman Drive La Jolla California 92093; GlaxoSmithKline, 1250 S. Collegeville Road Collegeville Pennsylvania 19426; Kowalski, Karol [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P. O. Box 999 Richland Washington 99352; Valiev, Marat [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P. O. Box 999 Richland Washington 99352

    2017-05-03

    Green Fluorescent Protein (GFP) is a widely used fluorescent biomarker for the study of biological systems. Our investigation is focused on providing a reliable theoretical description of the GFP chromophore, the photochemical properties of which can be influenced through both the surrounding protein environment and pH levels. In this work we are specifically addressing the effect of an aqueous solvation environment , where a number of experimental measurements have been performed. Our approach is based on a combined quantum mechanics molecular mechanics (QM/MM) methodology, which incorporates high level coupled cluster theory for the analysis of excited states. It also presents the first application of the newly developed NWChem/AMBER QM/MM interface. Using a systematic approach, which involves comparison of gas phase and aqueous results for different protonation states and conformations, we have resolved existing uncertainties regarding theoretical interpretation of the experimental data. We observe that the impact of aqueous environment on charged states generally results in blue shifts, but the magnitude of the effect is sensitive to charge state and conformation and can be rationalized based on charge movement into the area of higher/lower external electrostatic potentials. At neutral pH levels the experimentally observed absorption signal is most likely coming from the phenol protonated form. Our results also show that the high level coupled description is essential for proper description of excited states of GFP.

  15. Reduced-Order Modeling of Parametrically Excited Micro-Electro-Mechanical Systems (MEMS

    Directory of Open Access Journals (Sweden)

    Sangram Redkar

    2010-01-01

    Full Text Available Reduced-order modeling is a systematic way of constructing models with smaller number of states that can capture the “essential dynamics” of the large-scale systems, accurately. In this paper, reduced-order modeling and control techniques for parametrically excited MEMS are presented. The techniques proposed here use the Lyapunov-Floquet (L-F transformation that makes the linear part of transformed equations time invariant. In this work, three model reduction techniques for MEMS are suggested. First method is simply an application of the well-known Guyan-like reduction method to nonlinear systems. The second technique is based on singular perturbation, where the transformed system dynamics is partitioned as fast and slow dynamics and the system of differential equations is converted into a differential algebraic (DAE system. In the third technique, the concept of invariant manifold for time-periodic systems is used. The “time periodic invariant manifold” based technique yields “reducibility conditions”. This is an important result because it helps us to understand the various types of resonances present in the system. These resonances indicate a tight coupling between the system states, and in order to retain the dynamic characteristics, one has to preserve all these “resonant” states in the reduced-order model. Thus, if the “reducibility conditions” are satisfied, only then a nonlinear order reduction based on invariant manifold approach is possible. It is found that the invariant manifold approach yields the most accurate results followed by the nonlinear projection and linear technique. These methodologies are general, free from small parameter assumptions, and can be applied to a variety of MEM systems like resonators, sensors and filters. The reduced-order models can be used for parametric study, sensitivity analysis and/or controller design. The controller design is based on the reduced-order system. Thus, first the

  16. Dynamics Analysis and Transition Mechanism of Bursting Calcium Oscillations in Non-Excitable Cells

    Institute of Scientific and Technical Information of China (English)

    ZHANG Feng; LU Qi-Shao; DUAN Li-Xia

    2007-01-01

    A one-pool model with Ca2+-activated inositol-trisphosphate-concentration degradation is considered.For complex bursting Ca2+ oscillation,point-cycle bursting of subHopf-subHopf type is found to be in the intermediate state from quasi-periodic bursting to Point-point bursting of subHopf-subHopf type.The fast-slow burster analysis is used to study the transition mechanisms among simple periodic oscillation,quasi-periodic bursting,point-point and point-cycle burstings.The dynamics analysis of different oscillations provides better insight into the generation and transition mechanisms of complex intra- and inter-cellular Ca2+signalling.

  17. The role of surface oxygenated-species and adsorbed hydrogen in the oxygen reduction reaction (ORR) mechanism and product selectivity on Pd-based catalysts in acid media.

    Science.gov (United States)

    Rahul, R; Singh, R K; Bera, B; Devivaraprasad, R; Neergat, M

    2015-06-21

    Oxygen reduction reaction (ORR) is investigated on bulk PdO-based catalysts (oxides of Pd and Pd3Co) in oxygen-saturated 0.1 M HClO4 to establish the role of surface oxides and adsorbed hydrogen in the activity and product selectivity (H2O/H2O2). The initial voltammetric features suggest that the oxides are inactive toward ORR. The evolution of the ORR voltammograms and potential-dependent H2O2 generation features on the PdO catalyst suggest gradual and parallel in situ reduction of the bulk PdO phase below ∼0.4 V in the hydrogen underpotential deposition (Hupd) region; the reduction of the bulk PdO catalyst is confirmed from the X-ray photoelectron spectra (XPS) and X-ray diffraction (XRD) patterns. The potential-dependent H2O2 generation features originate due to the presence of surface oxides and adsorbed hydrogen; this is further confirmed using halide ions (Cl(-) and Br(-)) and peroxide as the external impurities.

  18. Cellular mechanisms regulating neuronal excitability: Functional implications and in epilepsy | Mecanismos celulares reguladores de la excitabilidad celular: Implicaciones funcionales y en epilepsia

    OpenAIRE

    Cabezas-Fernández, C.; Martín-Montiel, E. D.; Buño, W

    2003-01-01

    Introduction and method. The cellular mechanisms that regulate neuronal excitability and the propagation of electrical signals in the dendrites of pyramidal neurons are incompletely understood and of key functional and pathological importance. The capacity of dendrites to actively propagate action potentials is vital in processes related to memory and learning. The deregulation of dendritic excitability may also contribute to epilepsy. The contributions of ionic conductances that regulate neu...

  19. Glycogen content and excitation-contraction coupling in mechanically skinned muscle fibres of the cane toad.

    Science.gov (United States)

    Stephenson, D G; Nguyen, L T; Stephenson, G M

    1999-08-15

    1. Mechanically skinned skeletal muscle fibres from the twitch region of the iliofibularis muscle of cane toads were used to investigate the relationship between fibre glycogen content and fibre capacity to respond to transverse tubular (T-) system depolarization. 2. A large proportion of total fibre glycogen remained in mechanically skinned muscle fibres exposed to aqueous solutions. This glycogen pool (about 80% of total fibre glycogen) was very stable when the preparation was incubated in a rigor solution (pH 7.0) but decreased gradually at a rate of 0.59+/-0.20% min-1 in a relaxing solution (200 nM [Ca2+]). The rate was considerably higher (2.66+/-0.38% min(-1)) when the preparations were exposed to 30 microM [Ca2+]. An even greater rate of glycogen loss was found after T-system depolarization-induced contractions. The Ca2+-dependent loss of fibre glycogen was caused by endogenous glycogenolytic processes. 3. Silver stained SDS gels of components eluted into relaxing solution from single skinned fibres revealed a rapid (2 min) loss of parvalbumin and at least 10 other proteins varying in molecular mass between 10 and 80 kDa but there was essentially no loss of myosin heavy and light chains and actin. Subsequent elution for a further 30 min in either relaxing or maximally Ca2+-activating solution did not result in additional, appreciable detectable loss of fibre protein. 4. Depletion of fibre glycogen was associated with loss of fibre ability to respond to T-system depolarization even though the bathing solutions contained high levels of ATP (8 mM) and creatine phosphate (10 mM). 5. The capacity of mechanically skinned fibres to respond to T-system depolarization was highly positively correlated (Pmuscle to respond to T-system depolarization is related directly or indirectly to the non-washable glycogen pool in fibres, (ii) this relationship holds for conditions where glycogen is not required as a source of energy and (iii) the mechanically skinned fibre

  20. Generation of molecular diffuse-band stimulated radiation through multiple excitation mechanism in potassium molecule-atom system

    Institute of Scientific and Technical Information of China (English)

    贾锁堂; 秦莉娟; 钱祖良; 王祖赓; 王钢; 周国生

    1997-01-01

    Population reduction effect generated in two-photon resonant excitation process of potassium atoms in a potassium molecule-atom system is theoretically investigated The obtained result is compared with the relevant experimental ones in the process of two-photon resonant excitation of potassium molecules and in the process of two-photon mixed excitation of potassium molecule-atoms.

  1. Mechanisms regulating neuronal excitability and seizure development following mTOR pathway hyperactivation

    Directory of Open Access Journals (Sweden)

    Candi L LaSarge

    2014-03-01

    Full Text Available The PI3K/PTEN-mTOR pathway regulates a variety of neuronal functions, including cell proliferation, survival, growth and plasticity. Dysregulation of the pathway is implicated in the development of both genetic and acquired epilepsies. Indeed, several causal mutations have been identified in patients with epilepsy, the most prominent of these being mutations in phosphatase and tensin homologue (PTEN and tuberal sclerosis complexes 1 and 2 (TSC1, TSC2. These genes act as negative regulators of mTOR signaling, and mutations lead to hyperactivation of the pathway. Animal models deleting PTEN, TSC1 and TSC2 consistently produce epilepsy phenotypes, demonstrating that increased mTOR signaling can provoke neuronal hyperexcitability. Given the broad range of changes induced by altered mTOR signaling, however, the mechanisms underlying seizure development in these animals remain uncertain. In transgenic mice, cell populations with hyperactive mTOR have many structural abnormalities that support recurrent circuit formation, including somatic and dendritic hypertrophy, aberrant basal dendrites, and enlargement of axon tracts. At the functional level, mTOR hyperactivation is commonly, but not always, associated with enhanced synaptic transmission and plasticity. Moreover, these populations of abnormal neurons can affect the larger network, inducing secondary changes that may explain paradoxical findings reported between cell and network functioning in different models or at different developmental time points. Here, we review the animal literature examining the link between mTOR hyperactivation and epileptogenesis, emphasizing the impact of enhanced mTOR signaling on neuronal form and function.

  2. Mechanisms of Sb(III) Photooxidation by the Excitation of Organic Fe(III) Complexes.

    Science.gov (United States)

    Kong, Linghao; He, Mengchang

    2016-07-05

    Organic Fe(III) complexes are widely distributed in the aqueous environment, which can efficiently generate free radicals under light illumination, playing a significant role in heavy metal speciation. However, the potential importance of the photooxidation of Sb(III) by organic Fe(III) complexes remains unclear. Therefore, the photooxidation mechanisms of Sb(III) were comprehensively investigated in Fe(III)-oxalate, Fe(III)-citrate and Fe(III)-fulvic acid (FA) solutions by kinetic measurements and modeling. Rapid photooxidation of Sb(III) was observed in an Fe(III)-oxalate solution over the pH range of 3 to 7. The addition of tert-butyl alcohol (TBA) as an ·OH scavenger quenched the Sb(III) oxidation, suggesting that ·OH is an important oxidant for Sb(III). However, the incomplete quenching of Sb(III) oxidation indicated the existence of other oxidants, presumably an Fe(IV) species in irradiated Fe(III)-oxalate solution. In acidic solutions, ·OH may be formed by the reaction of Fe(II)(C2O4) with H2O2, but a hypothetical Fe(IV) species may be generated by the reaction of Fe(II)(C2O4)2(2-) with H2O2 at higher pH. Kinetic modeling provides a quantitative explanation of the results. Evidence for the existence of ·OH and hypothetical Fe(IV) was also observed in an irradiated Fe(III)-citrate and Fe(III)-FA system. This study demonstrated an important pathway of Sb(III) oxidation in surface waters.

  3. Adsorbent Carbon Fabrics : New Generation Armour for Toxic Chemicals

    Directory of Open Access Journals (Sweden)

    K. Gurudatt

    1997-04-01

    Full Text Available Activated carbon in the form of a regular fabric obtained using viscose rayon precursor is a new generation adsorbent material having superior sorptional properties and is finding varied defence applications. Carbonisation and activation mechanisms and properties and applications of adsorbent carbort fibres made from viscose rayon precursor are reviewed in this paper.

  4. Enhanced efficiency in the excitation of higher modes for atomic force microscopy and mechanical sensors operated in liquids

    Energy Technology Data Exchange (ETDEWEB)

    Penedo, M., E-mail: mapenedo@imm.cnm.csic.es; Hormeño, S.; Fernández-Martínez, I.; Luna, M.; Briones, F. [IMM-Instituto de Microelectrónica de Madrid (CNM-CSIC), Isaac Newton 8, PTM, E-28760 Tres Cantos, Madrid (Spain); Raman, A. [Birck Nanotechnology Center and School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47904 (United States)

    2014-10-27

    Recent developments in dynamic Atomic Force Microscopy where several eigenmodes are simultaneously excited in liquid media are proving to be an excellent tool in biological studies. Despite its relevance, the search for a reliable, efficient, and strong cantilever excitation method is still in progress. Herein, we present a theoretical modeling and experimental results of different actuation methods compatible with the operation of Atomic Force Microscopy in liquid environments: ideal acoustic, homogeneously distributed force, distributed applied torque (MAC Mode™), photothermal and magnetostrictive excitation. From the analysis of the results, it can be concluded that magnetostriction is the strongest and most efficient technique for higher eigenmode excitation when using soft cantilevers in liquid media.

  5. Probing the photochemistry of chemisorbed oxygen on TiO2(110) with Kr and other co-adsorbates

    Energy Technology Data Exchange (ETDEWEB)

    Petrik, Nikolay G.; Kimmel, Gregory A.

    2014-02-14

    Weakly bound (physisorbed) atoms and molecules such as Ar, Kr, Xe, CO, CH4, CH3OH, CO2 and N2 are used to probe the photochemical interactions of O2 on rutile TiO2(110). UV irradiation of chemisorbed O2 along with the physisorbed probe species leads to photon-stimulated desorption (PSD) of Ar, Kr, CO, CH4 and N2. Without co-adsorbed O2, the PSD yields of the probe species are very low or not observed. No PSD was observed for CO2, N2O, CH3OH and the PSD yield for Xe is very low compared to the other probe atoms or molecules. The angular distribution of the photo-desorbing Kr, which is broad and cosine, is quite different from the O2 PSD angular distribution, which is sharply peaked along the surface normal. The Kr PSD yields increase with increasing coverage of Kr and of chemisorbed O2. We propose a mechanism for the observed phenomena where the chemisorbed O2 serves as photoactive center, excited via electronic excitations (electrons and/or holes) created in the TiO2 substrate by UV photon irradiation. The photo-excited O2 may transfer its energy to neighboring co-adsorbed atom or molecule resulting in desorption of the latter. Simple momentum transfer considerations suggest that heavier adsorbates (like Xe) and adsorbates with higher binding energy (like CO2) should desorb less efficiently according to the proposed mechanism. Various forms of chemisorbed O2 appeared photoactive in such stimulated desorption of Kr atoms: molecular anions (O22-, O2-), adatoms (Oa), and others. The observed phenomenon provides a new tool for study of photocatalysis.

  6. Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Feng; Kwak, Ja Hun; Lee, Jong H.; Tran, Diana N.; Peden, Charles HF; Howden, Ken; Cheng, Yisun; Lupescu, Jason; Cavattaio, Giovanni; Lambert, Christine; McCabe, Robert W.

    2012-12-31

    In this collaborative program, scientists and engineers in the Institute for Integrated Catalysis at Pacific Northwest National Laboratory and at Ford Motor Company have investigated laboratory- and engine-aged SCR catalysts, containing mainly base metal zeolites. These studies are leading to a better understanding of various aging factors that impact the long-term performance of SCR catalysts and improve the correlation between laboratory and engine aging, saving experimental time and cost. We have also studied materials effective for the temporary storage of HC species during the cold-start period. In particular, we have examined the adsorption and desorption of various HC species produced during the combustion with different fuels (e.g., gasoline, E85, diesel) over potential HC adsorber materials, and measured the kinetic parameters to update Ford’s HC adsorption model. Since this CRADA has now been completed, in this annual report we will provide very brief summaries of most of the work carried out on this CRADA over the last several years.

  7. Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials

    Energy Technology Data Exchange (ETDEWEB)

    Kwak, Ja Hun; Lee, Jong H.; Kim, Do Heui; Li, Xiaohong S.; Tran, Diana N.; Peden, Charles HF

    2011-12-22

    This annual report describes recent progress on a collaborative project between scientists and engineers in the Institute for Integrated Catalysis at PNNL and at Ford Motor Company, involving investigations of laboratory- and engine-aged SCR catalysts, containing mainly base metal zeolites. These studies are leading to a better understanding of various aging factors that impact the long-term performance of SCR catalysts and improve the correlation between laboratory and engine aging, saving experimental time and cost. We are investigating SCR catalysts with reduced ammonia slip, increased low temperature activity, and increased product selectivity to N2. More recent recognition that high temperature performance, under regimes that sometimes cause deactivation, also needs to be improved is driving current work focused on catalyst materials modifications needed to achieve this enhanced performance. We are also studying materials effective for the temporary storage of HC species during the cold-start period. In particular, we examine the adsorption and desorption of various HC species produced during the combustion with different fuels (e.g., gasoline, E85, diesel) over potential HC adsorber materials, and measure the kinetic parameters to update Ford’s HC adsorption model.

  8. Effects of real and sham whole-body mechanical vibration on spinal excitability at rest and during muscle contraction.

    Science.gov (United States)

    Hortobágyi, T; Rider, P; DeVita, P

    2014-12-01

    We examined the effects of whole-body mechanical vibration (WBV) on indices of motoneuronal excitability at rest and during muscle contraction in healthy humans. Real and sham WBV at 30 Hz had no effect on reflexes measured during muscle contraction. Real WBV at 30 and 50 Hz depressed the H-reflex ∼45%. These depressions diminished across the five inter-bout rest intervals. The depression converted to 27% and 7% facilitation over the 15-min long recovery period following real WBV at 30 and 50 Hz, respectively. The depression, measured during the inter-bout rest, correlated r = 0.48 (P = 0.007) with the subsequent facilitation, measured during the follow-up. The depression produced by sham vs real WBV was significant but less (23%), recovered faster, and the facilitation was absent in the 15-min long follow-up period. WBV produced time-varying depression followed by facilitation of the H-reflex at rest. A lack of change in volitional wave suggests that WBV did not affect the efferent neural drive.

  9. Chaotic dynamic and control for micro-electro-mechanical systems of massive storage with harmonic base excitation

    Energy Technology Data Exchange (ETDEWEB)

    Perez Polo, Manuel F. [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, Escuela Politecnica Superior, Campus de San Vicente, 03071 Alicante (Spain)], E-mail: manolo@dfists.ua.es; Perez Molina, Manuel [Facultad de Ciencias Matematicas, Universidad Nacional de Educacion a Distancia. UNED, C/Boyero 12-1A, Alicante 03007 (Spain)], E-mail: ma_perez_m@hotmail.com; Gil Chica, Javier [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, Escuela Politecnica Superior, Campus de San Vicente, 03071 Alicante (Spain)], E-mail: gil@dfists.ua.es

    2009-02-15

    This paper explores chaotic behaviour and control of micro-electro-mechanical systems (MEMS), which consist of thousands of small read/write probe tips that access gigabytes of data stored in a non-volatile magnetic surface. The model of the system is formed by two masses connected by a nonlinear spring and a viscous damping. The paper shows that, by means of an adequate feedback law, the masses can behave as two coupled Duffing's oscillators, which may reach chaotic behaviour when harmonic forces are applied. The chaotic motion is destroyed by applying the following control strategies: (i) static output feedback control law with constant forces and (ii) geometric nonlinear control. The aim is to drive the masses to a set point even with harmonic base excitation, by using chaotic dynamics and nonlinear control. The paper shows that it is possible to obtain a positioning time around a few ms with sub-nanometre accuracy, velocities, accelerations and forces, as it appears in the design of present MEMS devices. Numerical simulations are used to verify the mathematical discussions.

  10. Encapsulation of 3-hydroxyflavone and fisetin in β-cyclodextrins: Excited state proton transfer fluorescence and molecular mechanics studies

    Science.gov (United States)

    Banerjee, Anwesha; Sengupta, Pradeep K.

    2006-06-01

    Excited-state intramolecular proton-transfer (ESIPT) and dual emission properties (emission profile, anisotropy and decay kinetics) of 3-hydroxyflavone (a synthetic, model flavonol) and fisetin (3,7,3',4'-OH-flavone, a therapeutically active plant flavonol) have been exploited to study their encapsulation in nano-cavities comprising of natural and chemically modified β-cyclodextrins. In the presence of β-CDs, both the flavonols show significantly enhanced relative yields (along with changes in other emission parameters) of the tautomer emission. In addition, for fisetin, large blue shifts are observed for the normal emission (which has significant charge transfer character). From these we infer that the flavonols are encaged in predominantly hydrophobic micro-environments, where external hydrogen bonding perturbations (interfering with the intrinsic ESIPT), and dipolar relaxation effects, are minimized. This is further explained from results of molecular mechanics calculations which indicate selectivity in orientation of the encapsulated flavonols. Moreover, chemical modification of the β-CDs is found to profoundly influence the binding affinities of the guest flavonols.

  11. On Students' Learning Motivation Exciting Mechanism%论学生学习动机激发机制

    Institute of Scientific and Technical Information of China (English)

    何勇刚

    2012-01-01

    学习动机对学习效果的提升有很大的促进作用,内在与外在学习动机对学习影响各有侧重,前者较为稳定且持久,但力度不足;而后者则恰恰相反。因此,必须将两者有机地结合起来,取长补短,才能相得益彰。学生学习动机的激发机制要有利于提高学生的学习积极性,使他们能产生长久的、较强的学习动机。%Learning motivation in quite helpful to promote learning efficiency and intrinsic and extrinsic learning motivation influence le- arning in different ways. While the former is more stable and enduring with some limitations, the latter is just the opposite. Tberefore, they must he unified to bring out the best in them. Students' learning motivation exciting mechanism should give students learning enthusiasm and lasting and strong learning motivation.

  12. Galaxy pairs in the Sloan Digital Sky Survey - XII: The fuelling mechanism of low excitation radio-loud AGN

    CERN Document Server

    Ellison, Sara L; Hickox, Ryan C

    2015-01-01

    We investigate whether the fuelling of low excitation radio galaxies (LERGs) is linked to major galaxy interactions. Our study utilizes a sample of 10,800 spectroscopic galaxy pairs and 97 post-mergers selected from the Sloan Digital Sky Survey with matches to multi-wavelength datasets. The LERG fraction amongst interacting galaxies is a factor of 3.5 higher than that of a control sample matched in local galaxy density, redshift and stellar mass. However, the LERG excess in pairs does not depend on projected separation and remains elevated out to at least 500 kpc, suggesting that major mergers are not their main fuelling channel. In order to identify the primary fuelling mechanism of LERGs, we compile samples of control galaxies that are matched in various host galaxy and environmental properties. The LERG excess is reduced, but not completely removed, when halo mass or D4000 are included in the matching parameters. However, when BOTH M_halo and D4000 are matched, there is no LERG excess and the 1.4 GHz lumin...

  13. Excited state structures and decay dynamics of 1,3-dimethyluracils in solutions: resonance Raman and quantum mechanical calculation study.

    Science.gov (United States)

    Li, Ming-Juan; Liu, Ming-Xia; Zhao, Yan-Ying; Pei, Ke-Mei; Wang, Hui-Gang; Zheng, Xuming; Fang, Wei Hai

    2013-10-03

    The resonance Raman spectroscopic study of the excited state structural dynamics of 1,3-dimethyluracil (DMU), 5-bromo-1,3-dimethyluracil (5BrDMU), uracil, and thymine in water and acetonitrile were reported. Density functional theory calculations were carried out to help elucidate the ultraviolet electronic transitions associated with the A-, and B-band absorptions and the vibrational assignments of the resonance Raman spectra. The effect of the methylation at N1, N3 and C5 sites of pyrimidine ring on the structural dynamics of uracils in different solvents were explored on the basis of the resonance Raman intensity patterns. The relative resonance Raman intensities of DMU and 5BrDMU are computed at the B3LYP-TD level. Huge discrepancies between the experimental resonance Raman intensities and the B3LYP-TD predicted ones were observed. The underlying mechanism was briefly discussed. The decay channel through the S1((1)nπ*)/S2((1)ππ*) conical intersection and the S1((1)nπ*)/T1((3)ππ*) intersystem crossing were revealed by using the CASSCF(8,7)/6-31G(d) level of theory calculations.

  14. Towards a selective adsorbent for arsenate and selenite in the presence of phosphate: Assessment of adsorption efficiency, mechanism, and binary separation factors of the chitosan-copper complex.

    Science.gov (United States)

    Yamani, Jamila S; Lounsbury, Amanda W; Zimmerman, Julie B

    2016-01-01

    The potential for a chitosan-copper polymer complex to select for the target contaminants in the presence of their respective competitive ions was evaluated by synthesizing chitosan-copper beads (CCB) for the treatment of (arsenate:phosphate), (selenite:phosphate), and (selenate:sulfate). Based on work by Rhazi et al., copper (II) binds to the amine moiety on the chitosan backbone as a monodentate complex (Type I) and as a bidentate complex crosslinking two polymer chains (Type II), depending on pH and copper loading. In general, the Type I complex exists alone; however, beyond threshold conditions of pH 5.5 during synthesis and a copper loading of 0.25 mol Cu(II)/mol chitosan monomer, the Type I and Type II complexes coexist. Subsequent chelation of this chitosan-copper ligand to oxyanions results in enhanced and selective adsorption of the target contaminants in complex matrices with high background ion concentrations. With differing affinities for arsenate, selenite, and phosphate, the Type I complex favors phosphate chelation while the Type II complex favors arsenate chelation due to electrostatic considerations and selenite chelation due to steric effects. No trend was exhibited for the selenate:sulfate system possibly due to the high Ksp of the corresponding copper salts. Binary separation factors, α12, were calculated for the arsenate-phosphate and selenite-phosphate systems, supporting the mechanistic hypothesis. While, further research is needed to develop a synthesis method for the independent formation of the Type II complexes to select for target contaminants in complex matrices, this work can provide initial steps in the development of a selective adsorbent.

  15. CN rotational excitation

    Science.gov (United States)

    Palazzi, E.; Mandolesi, N.; Crane, Philippe

    1992-10-01

    We report the results of a search for new lines of sight in which to study the CN excitation and a statistical analysis of all the excitation temperatures measured using interstellar CN. This data set strongly confirms that the cosmic background radiation (CBR) is the dominant contributor to the excitation of CN, and demonstrates the homogeneity of the CBR. Thirty-five observations is a sufficiently large sample to look for the presence of systematic effects in the CN excitation. The weighted average of the CN excitation temperatures exceeds the T(CBR) obtained by COBE and the Canadian rocket by 82 +/- 30 mK. With the aim of looking at the origin of this difference, we have considered in detail the known mechanisms that could contribute to exciting the CN molecule. None of the data necessary to quantify these mechanisms are of sufficient quality to provide a clean explanation of the observed difference.

  16. Adsorption of Fluoride Ion by Inorganic Cerium Based Adsorbent

    Institute of Scientific and Technical Information of China (English)

    Jiao Zhongzhi(焦中志); Chen Zhonglin; Yang Min; Zhang Yu; Li Guibai

    2004-01-01

    Excess of fluoride in drinking water is harmful to human health, the concentration of F- ions must be maintained in the range of 0.5 to 1.5 mg/L. An inorganic cerium based adsorbent (CTA) is developed on the basis of research of adsorption of fluoride on cerium oxide hydrate. Some adsorption of fluoride by CTA adsorbent experiments were carried out, and results showed that CTA adsorbent has a quick adsorption speed and a large adsorption capacity. Adsorption follows Freundlich isotherm, and low pH value helps fluoride removal. Some physical-chemical characteristics of CTA adsorbent were experimented, fluoride removal mechanism was explored, and results showed that hydroxyl group of CTA adsorbent played an important role in the fluoride removal.

  17. Photodegradation mechanism of sulfonamides with excited triplet state dissolved organic matter: A case of sulfadiazine with 4-carboxybenzophenone as a proxy

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yingjie; Wei, Xiaoxuan; Chen, Jingwen, E-mail: jwchen@dlut.edu.cn; Xie, Hongbin; Zhang, Ya-nan

    2015-06-15

    Highlights: • Excited triplet state of dissolved organic matter ({sup 3}DOM{sup *}) is largely responsible for the enhanced photodegradation of sulfadiazine. • Electron followed by proton transfer is a major mechanism for the reactions of sulfadiazine with {sup 3}DOM{sup *} proxies. • Two reaction sites (amino- or sulfonyl-N) and sulfadiazine radicals were identified in the reactions of sulfadiazine with {sup 3}DOM{sup *} proxies. - Abstract: Excited triplet states of dissolved organic matter ({sup 3}DOM*) are important players for photodegradation sulfonamide antibiotics (SAs) in sunlit natural waters. However, the triplet-mediated reaction mechanism was poorly understood. In this study, we investigated the reaction adopting sulfadiazine as a representative SA and 4-carboxybenzophenone (CBBP)as a proxy of DOM. Results showed that the excited triplet state of CBBP ({sup 3}CBBP*) is responsible for the photodegradation of sulfadiazine. The reaction of {sup 3}CBBP* with substructure model compounds verified there are two reaction sites (amino-or sulfonyl-N atoms) of sulfadiazine. Density functional theory calculations were performed, which unveiled that electrons transfer from the N reaction sites to the carbonyl oxygen atom of {sup 3}CBBP* moiety, followed by proton transfers, leading to the formation of sulfadiazine radicals. Laser flash photolysis experiments were performed to confirm the mechanism. Thus, this study identified that the photodegradation mechanism of SAs initiated by {sup 3}DOM*, which is important for understanding the photochemical fate, predicting the photoproducts, and assessing the ecological risks of SAs in the aquatic environment.

  18. 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.

  19. Cryogenic exciter

    Science.gov (United States)

    Bray, James William [Niskayuna, NY; Garces, Luis Jose [Niskayuna, NY

    2012-03-13

    The disclosed technology is a cryogenic static exciter. The cryogenic static exciter is connected to a synchronous electric machine that has a field winding. The synchronous electric machine is cooled via a refrigerator or cryogen like liquid nitrogen. The static exciter is in communication with the field winding and is operating at ambient temperature. The static exciter receives cooling from a refrigerator or cryogen source, which may also service the synchronous machine, to selected areas of the static exciter and the cooling selectively reduces the operating temperature of the selected areas of the static exciter.

  20. MOLECULAR IMPRINTED POLYMERS--Novel Polymer Adsorbents

    Institute of Scientific and Technical Information of China (English)

    LI Haitao; XU Mancai; SHI Zuoqing; HE Binglin

    2001-01-01

    Molecular imprinted polymers (MIPs) are novel functional polymer materials and known as specific adsorbents for the template molecules. These novel functional polymers have promised potential applications in racemic resolution, sensor, chromatography, adsorptive separation and other fields. This review exhibits the approach for preparing MIPs, the features of MIPs obtained by different routes and the characteristics of adsorptive separations with MIPs. The molecular recognition mechanism and the idea of the present possibilities and limitations of molecular imprinting polymerization are discussed as well.

  1. Molecular symmetry determines the mechanism of a very efficient ultrafast excitation-to-heat conversion in Ni-substituted chlorophylls.

    Science.gov (United States)

    Pilch, Mariusz; Dudkowiak, Alina; Jurzyk, Barbara; Lukasiewicz, Jędrzej; Susz, Anna; Stochel, Grażyna; Fiedor, Leszek

    2013-01-01

    In the Ni-substituted chlorophylls, an ultrafast (chlorophylls, experimentally, using time-resolved laser-induced optoacoustic spectroscopy, and theoretically, using group theory approach. The Ni-substituted chlorophylls show exceptional photostability and the optoacoustic measurements confirm the prompt and very efficient (100%) excitation-into-heat conversion in these complexes. Considering their excellent spectral properties and the loss-free excitation-into-heat conversion they are likely to become a new class of versatile photocalorimetric references. The curious features of the Ni-substituted chlorophylls originate from the symmetry of a ligand field created in the central cavity. The central N-Ni(2+) bonds, formed via the donation of two electrons from each of the sp(2) orbitals of two central nitrogens to an empty [Formula: see text] hybrid centered on Ni(2+), have a considerable covalent character. The extreme rate of excited state relaxation is then not due to a ladder of the metal centered d-states, often invoked in metalloporphyrins, but seems to result from a peculiar topology of the potential energy surface (a saddle-shaped crossing) due to the covalent character of the N-Ni(2+) bonds. This is confirmed by a strong 0→0 character of electronic transitions in these complexes indicating a similarity of their equilibrium geometries in the ground (S(0)) and the excited states (both Q(X) and Q(Y)). The excitation energy is very efficiently converted into molecular vibrations and dissipated as heat, involving the central Ni(2+). These Ni-substituted pigments pose a fine exemplification of symmetry control over properties of excited states of transition metal complexes.

  2. The Mechanism of Abrupt Transition between Theta and Hyper-Excitable Spiking Activity in Medial Entorhinal Cortex Layer II Stellate Cells

    Science.gov (United States)

    Kispersky, Tilman; White, John A.; Rotstein, Horacio G.

    2010-01-01

    Recent studies have shown that stellate cells (SCs) of the medial entorhinal cortex become hyper-excitable in animal models of temporal lobe epilepsy. These studies have also demonstrated the existence of recurrent connections among SCs, reduced levels of recurrent inhibition in epileptic networks as compared to control ones, and comparable levels of recurrent excitation among SCs in both network types. In this work, we investigate the biophysical and dynamic mechanism of generation of the fast time scale corresponding to hyper-excitable firing and the transition between theta and fast firing frequency activity in SCs. We show that recurrently connected minimal networks of SCs exhibit abrupt, threshold-like transition between theta and hyper-excitable firing frequencies as the result of small changes in the maximal synaptic (AMPAergic) conductance. The threshold required for this transition is modulated by synaptic inhibition. Similar abrupt transition between firing frequency regimes can be observed in single, self-coupled SCs, which represent a network of recurrently coupled neurons synchronized in phase, but not in synaptically isolated SCs as the result of changes in the levels of the tonic drive. Using dynamical systems tools (phase-space analysis), we explain the dynamic mechanism underlying the genesis of the fast time scale and the abrupt transition between firing frequency regimes, their dependence on the intrinsic SC's currents and synaptic excitation. This abrupt transition is mechanistically different from others observed in similar networks with different cell types. Most notably, there is no bistability involved. ‘In vitro’ experiments using single SCs self-coupled with dynamic clamp show the abrupt transition between firing frequency regimes, and demonstrate that our theoretical predictions are not an artifact of the model. In addition, these experiments show that high-frequency firing is burst-like with a duration modulated by an M-current. PMID

  3. The mechanism of abrupt transition between theta and hyper-excitable spiking activity in medial entorhinal cortex layer II stellate cells.

    Directory of Open Access Journals (Sweden)

    Tilman Kispersky

    Full Text Available Recent studies have shown that stellate cells (SCs of the medial entorhinal cortex become hyper-excitable in animal models of temporal lobe epilepsy. These studies have also demonstrated the existence of recurrent connections among SCs, reduced levels of recurrent inhibition in epileptic networks as compared to control ones, and comparable levels of recurrent excitation among SCs in both network types. In this work, we investigate the biophysical and dynamic mechanism of generation of the fast time scale corresponding to hyper-excitable firing and the transition between theta and fast firing frequency activity in SCs. We show that recurrently connected minimal networks of SCs exhibit abrupt, threshold-like transition between theta and hyper-excitable firing frequencies as the result of small changes in the maximal synaptic (AMPAergic conductance. The threshold required for this transition is modulated by synaptic inhibition. Similar abrupt transition between firing frequency regimes can be observed in single, self-coupled SCs, which represent a network of recurrently coupled neurons synchronized in phase, but not in synaptically isolated SCs as the result of changes in the levels of the tonic drive. Using dynamical systems tools (phase-space analysis, we explain the dynamic mechanism underlying the genesis of the fast time scale and the abrupt transition between firing frequency regimes, their dependence on the intrinsic SC's currents and synaptic excitation. This abrupt transition is mechanistically different from others observed in similar networks with different cell types. Most notably, there is no bistability involved. 'In vitro' experiments using single SCs self-coupled with dynamic clamp show the abrupt transition between firing frequency regimes, and demonstrate that our theoretical predictions are not an artifact of the model. In addition, these experiments show that high-frequency firing is burst-like with a duration modulated by an M-current.

  4. Adsorbed Water Illustration

    Science.gov (United States)

    2008-01-01

    The Thermal and Electrical Conductivity Probe on NASA's Phoenix Mars Lander detected small and variable amounts of water in the Martian soil. In this schematic illustration, water molecules are represented in red and white; soil minerals are represented in green and blue. The water, neither liquid, vapor, nor solid, adheres in very thin films of molecules to the surfaces of soil minerals. The left half illustrates an interpretation of less water being adsorbed onto the soil-particle surface during a period when the tilt, or obliquity, of Mars' rotation axis is small, as it is in the present. The right half illustrates a thicker film of water during a time when the obliquity is greater, as it is during cycles on time scales of hundreds of thousands of years. As the humidity of the atmosphere increases, more water accumulates on mineral surfaces. Thicker films behave increasingly like liquid water. The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.

  5. Detecting the mass and position of an adsorbate on a drum resonator.

    Science.gov (United States)

    Zhang, Y; Zhao, Y P

    2014-10-08

    The resonant frequency shifts of a circular membrane caused by an adsorbate are the sensing mechanism for a drum resonator. The adsorbate mass and position are the two major (unknown) parameters determining the resonant frequency shifts. There are infinite combinations of mass and position which can cause the same shift of one resonant frequency. Finding the mass and position of an adsorbate from the experimentally measured resonant frequencies forms an inverse problem. This study presents a straightforward method to determine the adsorbate mass and position by using the changes of two resonant frequencies. Because detecting the position of an adsorbate can be extremely difficult, especially when the adsorbate is as small as an atom or a molecule, this new inverse problem-solving method should be of some help to the mass resonator sensor application of detecting a single adsorbate. How to apply this method to the case of multiple adsorbates is also discussed.

  6. Deactivation mechanism of potassium on the V₂O₅/CeO₂ catalysts for SCR reaction: acidity, reducibility and adsorbed-NOx.

    Science.gov (United States)

    Peng, Yue; Li, Junhua; Huang, Xu; Li, Xiang; Su, Wenkang; Sun, Xiaoxu; Wang, Dezhi; Hao, Jiming

    2014-04-15

    A series of V2O5/CeO2 catalysts with different potassium loadings were prepared to investigate alkali deactivations for selective catalytic reduction of NOx with NH3. An alkali poisoning mechanism could be attributed to surface acidity, reducibility, and NOx adsorption/desorption behaviors. The detailed factors are as follows: (1) decrease of surface acidity suppresses NH3 adsorption by strong bonding of alkali to vanadia (major factor); (2) low reducibility prohibits NH3 activation and NO oxidation by formation bonding of alkali to vanadia and ceria (important factor); (3) active NOx(-) species at low temperature diminish because of coverage of alkali on the surfaces (minor factor); and (4) stable, inactive nitrate species at high temperature increase by generating new basic sites (important factor).

  7. Excited state proton transfer dynamics of thioacetamide in S2(ππ*) state: resonance Raman spectroscopic and quantum mechanical calculations study.

    Science.gov (United States)

    Chen, Xiao; Zhao, Yanying; Zhang, Haibo; Xue, Jiadan; Zheng, Xuming

    2015-02-05

    The photophysics and photochemistry of thioacetamide (CH3CSNH2) after excitation to the S2 electronic state were investigated by using resonance Raman spectroscopy in conjunction with the complete active space self-consistent field (CASSCF) method and density functional theory (DFT) calculations. The A-band resonance Raman spectra in acetonitrile, methanol, and water were obtained at 299.1, 282.4, 266.0, 252.7, and 245.9 nm excitation wavelengths to probe the structural dynamics of thioacetamide in the S2 state. CASSCF calculations were done to determine the transition energies and structures of the lower-lying excited states, the conical intersection points CI(S2/S1) and CI(S1/S0), and intersystem crossing points. The structural dynamics of thioacetamide in the S2 state was revealed to be along eight Franck-Condon active vibrational modes ν15, ν11, ν14, ν10, ν8, ν12, ν18, and ν19, mostly in the CC/CS/CN stretches and the CNH8,9/CCH5,6,7/CCN/CCS in-plane bends as indicated by the corresponding normal mode descriptions. The S2 → S1 decay process via the S2/S1 conical intersection point as the major channel were excluded. The thione-thiol photoisomerization reaction mechanism of thioacetamide via the S2,FC → S'1,min excited state proton transfer (ESPT) reaction channel was proposed.

  8. ADSORPTION OF PHENYLACETIC ACID ON MACROPOROUS POLYMERIC ADSORBENTS

    Institute of Scientific and Technical Information of China (English)

    PANBingcai; CHENJinlong; 等

    2002-01-01

    Several macroporous polymeric adsorbents(NDA-999,XAD-8,X-5 and XAD-2)were emplyed in the study to adsorb phenylacetic acid from aqueous solution.Effect of salt and ambient temperature on adsorption was studied using NDA-999 adsorbent and the adsorption process conforms to Freundlich′s model reasonably.Adsorption dynamics were conducted in batch experiments in order to make clear the mechanism of adsorption process.It is proved that the squared driving force mass transfer model can be adopted to elucidate the process.The treatment process of industrial wastewater containing high strength of phenylacetic acid was proposed for cleaner production of phenylacetic acid.

  9. ADSORPTION OF PHENYLACETIC ACID ON MACROPOROUS POLYMERIC ADSORBENTS

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Several macroporous polymeric adsorbents (NDA-999, XAD-8, X-5 and XAD-2) wereemployed in the study to adsorb phenylacetic acid from aqueous solution. Effect of salt and ambienttemperature on adsorption was studied using NDA-999 adsorbent and the adsorption processconforms to Freundlich's model reasonably. Adsorption dynamics were conducted in batchexperiments in order to make clear the mechanism of adsorption process. It is proved that thesquared driving force mass transfer model can be adopted to elucidate the process. The treatmentprocess of industrial wastewater containing high strength of phenylacetic acid was proposed forcleaner production of phenylacetic acid.

  10. A Luminescence Characterization of Adsorbed Hydrogen Atoms on Plasma Facing Materials

    Energy Technology Data Exchange (ETDEWEB)

    Grankin, V.P. [Azov Sea State Technical Univ., Mariupol (Ukraine). Computer Science Dept.; Styrov, V.V. [Azov Sea State Technical Univ., Mariupol (Ukraine). Phisics Dept.

    2004-06-01

    An atomic probe technique for characterization of hydrogen atoms on fusion related materials is described. The technique for determining surface coverage by hydrogen atoms or isotopes under both non-steady-state and stationary conditions is based on detection of heterogeneous chemiluminescence (HCL) excited in the interaction between adsorbed atoms and the pulsed normalized probing atomic flow. The recombination of hydrogen atoms from the gas phase was found to occur in general case via both collision Rideal-Eley (RE) and diffusion Langmuir-Hinshelwood (LH) mechanisms. The instantaneous optical response allows extracting the contributions of these two mechanisms to the overall reaction rate for various experimental conditions. The HCL method is also applicable for quick measurement of the reactivity of adatoms (in terms of the recombination coefficient {gamma}) for all the materials including metals. The spectra and kinetics of HCL are useful for estimation of heats of adsorption for hydrogen atoms or isotopes.

  11. Ionic channel mechanisms mediating the intrinsic excitability of Kenyon cells in the mushroom body of the cricket brain.

    Science.gov (United States)

    Inoue, Shigeki; Murata, Kaoru; Tanaka, Aiko; Kakuta, Eri; Tanemura, Saori; Hatakeyama, Shiori; Nakamura, Atsunao; Yamamoto, Chihiro; Hasebe, Masaharu; Kosakai, Kumiko; Yoshino, Masami

    2014-09-01

    Intrinsic neurons within the mushroom body of the insect brain, called Kenyon cells, play an important role in olfactory associative learning. In this study, we examined the ionic mechanisms mediating the intrinsic excitability of Kenyon cells in the cricket Gryllus bimaculatus. A perforated whole-cell clamp study using β-escin indicated the existence of several inward and outward currents. Three types of inward currents (INaf, INaP, and ICa) were identified. The transient sodium current (INaf) activated at -40 mV, peaked at -26 mV, and half-inactivated at -46.7 mV. The persistent sodium current (INaP) activated at -51 mV, peaked at -23 mV, and half-inactivated at -30.7 mV. Tetrodotoxin (TTX; 1 μM) completely blocked both INaf and INaP, but 10nM TTX blocked INaf more potently than INaP. Cd(2+) (50 μM) potently blocked INaP with little effect on INaf. Riluzole (>20 μM) nonselectively blocked both INaP and INaf. The voltage-dependent calcium current (ICa) activated at -30 mV, peaked at -11.3 mV, and half-inactivated at -34 mV. The Ca(2+) channel blocker verapamil (100 μM) blocked ICa in a use-dependent manner. Cell-attached patch-clamp recordings showed the presence of a large-conductance Ca(2+)-activated K(+) (BK) channel, and the activity of this channel was decreased by removing the extracellular Ca(2+) or adding verapamil or nifedipine, and increased by adding the Ca(2+) agonist Bay K8644, indicating that Ca(2+) entry via the L-type Ca(2+) channel regulates BK channel activity. Under the current-clamp condition, membrane depolarization generated membrane oscillations in the presence of 10nM TTX or 100 μM riluzole in the bath solution. These membrane oscillations disappeared with 1 μM TTX, 50 μM Cd(2+), replacement of external Na(+) with choline, and blockage of Na(+)-activated K(+) current (IKNa) with 50 μM quinidine, indicating that membrane oscillations are primarily mediated by INaP in cooperation with IKNa. The plateau potentials observed either in

  12. Highly nonlinear fundamental mechanisms of excitation and coloring of wide-gap crystals by intense femtosecond laser pulses

    Science.gov (United States)

    Martynovich, E. F.; Glazunov, D. S.; Grigorova, A. A.; Starchenko, A. A.; Kirpichnikov, A. V.; Trunov, V. I.; Merzlyakov, M. A.; Petrov, V. V.; Pestryakov, E. V.

    2008-09-01

    Analysis of the spatial distribution of the color centers formed in wide-gap LiF and MgF2 crystals in a laser beam channel has shown that these centers are formed in numerous longitudinal filaments into which a laser beam splits when propagating in a medium. The luminescence of the produced color centers is photoluminescence, which is excited by the supercontinuum radiation in the filaments.

  13. Docosahexaenoic acid inhibits mechanical allodynia and thermal hyperalgesia in diabetic rats by decreasing the excitability of DRG neurons.

    Science.gov (United States)

    Heng, Li-Jun; Qi, Rui; Yang, Rui-Hua; Xu, Guo-Zheng

    2015-09-01

    Diabetes mellitus is a common metabolic disease in human beings with characteristic symptoms of hyperglycemia, chronic inflammation and insulin resistance. One of the most common complications of early-onset diabetes mellitus is peripheral diabetic neuropathy, which is manifested either by loss of nociception or by allodynia and hyperalgesia. Dietary fatty acids, especially polyunsaturated fatty acids, have been shown the potential of anti-inflammation and modulating neuron excitability. The present study investigated the effects of docosahexaenoic acid (DHA) on the excitability of dorsal root ganglion (DRG) neurons in streptozotocin (STZ)-induced diabetes rats. The effects of DHA on the allodynia and hyperalgesia of diabetic rats were also evaluated. Dietary DHA supplementation effectively attenuated both allodynia and hyperalgesia induced by STZ injection. DHA supplementation decreased the excitability of DRG neurons by decreasing the sodium currents and increasing potassium currents, which may contribute to the effect of alleviating allodynia and hyperalgesia in diabetic rats. The results suggested that DHA might be useful as an adjuvant therapy for the prevention and treatment of painful diabetic neuropathy.

  14. Mechanism of noradrenaline-induced stimulation of Na-K ATPase activity in the rat brain: implications on REM sleep deprivation-induced increase in brain excitability.

    Science.gov (United States)

    Mallick, Birendra Nath; Singh, Sudhuman; Singh, Abhishek

    2010-03-01

    Rapid eye movement (REM) sleep is a unique phenomenon expressed in all higher forms of animals. Its quantity varies in different species and with ageing; it is also affected in several psycho-somatic disorders. Several lines of studies showed that after REM sleep loss, the levels of noradrenaline (NA) increase in the brain. The NA in the brain modulates neuronal Na-K ATPase activity, which helps maintaining the brain excitability status. The detailed mechanism of increase in NA level after REM sleep loss and the effect of NA on stimulation of Na-K ATPase in the neurons have been discussed. The findings have been reviewed and discussed with an aim to understand the role of REM sleep in maintaining brain excitability status.

  15. The collisional relaxation of highly vibrationally excited molecules: Glimpses of the energy transfer mechanism and distribution function

    Science.gov (United States)

    Michaels, Chris Arthur

    The relaxation of highly vibrationally excited donor molecules, C4H4N2 and C6F6, (E vib ~ 5 eV), by collisions with a bath of CO2 is investigated using high resolution, infrared transient absorption spectroscopy. The vibrationally hot donor molecules are formed by 248 nm excimer laser pumping, followed by rapid radiationless decay to the ground electronic state. This technique yields the nascent bath quantum state distributions following a single donor/bath collision. Absolute energy transfer rates are measured along with the partitioning of energy among the bath degrees of freedom. These measurements provide insight into the nature of the intermolecular forces mediating the energy transfer and allow the construction of energy transfer distribution functions, P(E,E') for these systems. Pyrazine/CO2 collisions which result in the excitation of bath vibrational modes, including the anti- symmetric stretch (0001), the Fermi-mixed symmetric stretch/bending overtone (1000 r1 and 1000 r2) and the unmixed bending overtone (0220), are studied. The vibrational energy transfer is accompanied by very little rotational and translational excitation and displays the characteristic strong, inverse temperature dependence (probability of transfer increases with decreasing temperature) expected of energy transfer mediated by a long range attractive interaction. Collisions between highly vibrationally excited C6F6 and CO2, which result in significant excitation of the bath rotational and translational degrees of freedom, are examined. This type of energy transfer is mediated by the short range repulsive region of the C6F6/CO2 intermolecular potential. A gap law model is used to fit the weak temperature dependence of these scattering processes in an effort to quantify the energy transfer magnitudes. A prescription for mapping bath quantum state resolved energy transfer rate constants onto an energy transfer probability distribution function, P(E,E') is described in detail. Analysis of

  16. Theoretical insight into the excited-state intramolecular proton transfer mechanisms of three amino-type hydrogen-bonding molecules

    Science.gov (United States)

    An, Beibei; Yuan, Huijuan; Zhu, Qiuling; Li, Yuanyuan; Guo, Xugeng; Zhang, Jinglai

    2017-03-01

    Excited-state intramolecular proton transfer (ESIPT) dynamics of the amino-type hydrogen-bonding compound 2-(2‧-aminophenyl)benzothiazole (PBT-NH2) as well as its two derivatives 2-(5‧-cyano-2‧-aminophenyl)benzothiazole (CN-PBT-NH2) and 2-(5‧-cyano-2‧-tosylaminophenyl)benzothiazole (CN-PBT-NHTs) were studied by the time-dependent density functional theory (TD-DFT) approach with the B3LYP density functional, and their absorption and emission spectra were also explored at the same level of theory. A good agreement is observed between the theoretical simulations and experimental spectra, indicating that the present calculations are reasonably reliable. In addition, it is also found that the energy barriers of the first excited singlet state of the three targeted molecules along the ESIPT reaction are computed to be 0.38, 0.34 and 0.12 eV, respectively, showing the trend of gradual decrease, which implies that the introduction of the electron-withdrawing cyano or tosyl group can facilitate the occurrence of the ESIPT reaction of these amino-type H-bonding systems. Following the ESIPT, both CN-PBT-NH2 and CN-PBT-NHTs dye molecules can undergo the cis-trans isomerization reactions in the ground-state and excited-state potential energy curves along the C2-C3 bond between benzothiazole and phenyl moieties, where the energy barriers of the trans-tautomer → cis-tautomer isomerizations in the ground states are calculated to be 0.83 and 0.34 eV, respectively. According to our calculations, it is plausible that there may exist the long-lived trans-tautomer species in the ground states of CN-PBT-NH2 and CN-PBT-NHTs.

  17. Dark-state mechanism for the long-time transfer of excitations in a donor–acceptor system

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Jing [Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, Changsha 410081 (China); Zhou, Lan, E-mail: zhoulan@hunnu.edu.cn [Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Department of Physics, Hunan Normal University, Changsha 410081 (China); Fu, H.C. [School of Physics Science and Technology, Shenzhen University, Shenzhen 518060 (China)

    2013-08-01

    The excitation energy transfer between a donor–acceptor pair with fixed distance apart through energy exchanging with environment is investigated. The total system is modeled as two two-level systems (TLSs) interacting with many harmonic oscillators. The pair behaves coherently or incoherently, depending on whether the dipolar coupling is stronger or weaker than the TLS–environment coupling. The environmental linear dispersion relation gives an analytical solution to the pair's probability involving all the retardation times. We found that the long-time trapping of energy within the pair is caused by the inhibiting dark-state radiative decay when two TLSs are at half a resonant wavelength.

  18. Exciter switch

    Science.gov (United States)

    Mcpeak, W. L.

    1975-01-01

    A new exciter switch assembly has been installed at the three DSN 64-m deep space stations. This assembly provides for switching Block III and Block IV exciters to either the high-power or 20-kW transmitters in either dual-carrier or single-carrier mode. In the dual-carrier mode, it provides for balancing the two drive signals from a single control panel located in the transmitter local control and remote control consoles. In addition to the improved switching capabilities, extensive monitoring of both the exciter switch assembly and Transmitter Subsystem is provided by the exciter switch monitor and display assemblies.

  19. Adsorption Mechanisms of Mesoporous Adsorbents in Solutions

    Institute of Scientific and Technical Information of China (English)

    WU Zhi-jian; LEE Kangtaek

    2004-01-01

    Sieve effect, complexation, ionic exchange, electrostatic interaction, hydrogen bonding, hydrophobic interaction, and molecular recognition based on molecular imprinting are comprehensively discussed.

  20. Direct electron-impact mechanism of excitation of mercury monobromide in a double-pulse dielectric-barrier-discharge HgBr lamp

    Science.gov (United States)

    Datsyuk, V. V.; Izmailov, I. A.; Naumov, V. V.; Kochelap, V. A.

    2016-08-01

    In a nonequlibrium plasma of a gas-discharge HgBr lamp, the terminal electronic state of the HgBr(B-X) radiative transition with a peak wavelength of 502 nm remains populated for a relatively long time and is repeatedly excited to the B state in collisions with plasma electrons. This transfer of the HgBr molecules from the ground state X to the excited state B is the main mechanism of formation of the light-emitting molecules especially when the lamp is excited by double current pulses. According to our simulations, due to the electron-induced transitions between HgBr(X) and HgBr(B), the output characteristics of the DBD lamp operating in a double-pulse regime are better than those of the lamp operating in a single-pulse regime. In the considered case, the peak power is calculated to increase by a factor of about 2 and the lamp efficiency increases by about 50%.

  1. Laser-induced dissociation dynamics of triatomic molecule in electronic excited states: A full-dimensional quantum mechanics study.

    Science.gov (United States)

    Sun, Zhaopeng; Yang, Chuanlu; Zheng, Yujun

    2015-12-14

    We present a detailed theoretical approach to investigate the laser-induced dissociation dynamics of a triatomic molecule on its electronic excited state in full dimensional case. In this method, the time evolution of the time-dependent system is propagated via combined the split operator method and the expansion of Chebyshev polynomials (or short-time Chebyshev propagation) and the system wave functions are expanded in terms of molecular rotational bases. As an example of the application of this formalism, the dissociation dynamics of H3(+)→H2(+)+H induced by ultrashort UV laser pulses are investigated on new Born-Oppenheimer potential energy surfaces. Our numerical results show that the signals of dissociation products will be easier to observe as the increasing of field strength. Driving by a 266 nm laser beam, the calculated central value of kinetic-energy-release is 2.04 eV which shows excellent agreement with the experimental estimation of 2.1 eV. When the H3(+) ion is rotationally excited, the spatial distribution of product fragments will become well converged.

  2. Nuclear excitations and reaction mechanisms. Progress report, November 1, 1978-October 31, 1979. [Brown Univ. , 11/1/78-10/31/79

    Energy Technology Data Exchange (ETDEWEB)

    1979-11-01

    Brief administrative-type summaries are given of work in the following areas: the nuclear Compton amplitude, dispersion relations, model calculations, electroexcitation sum rules, effects of nucleon size on photonuclear transitions and internal nuclear excitations, wave function formalisms in the channel coupling array theory, new n-particle scattering theory, atomic and molecular bound-state calculations, test of bound-state approximations in many-body scattering theories, quantum theory for nonhermitian operators, and variational principles for particles and fields in Heisenberg matrix mechanics.

  3. 太阳5分钟振荡的激发机制%On the Excitation Mechanism of Solar Five-minute Oscillations

    Institute of Scientific and Technical Information of China (English)

    熊大闰; 邓李才

    2009-01-01

    @@ 1 引言 太阳5分钟振荡是上世纪1个重要的发现~([1]),它使得人们可以通过观测太阳表面的振动来探测其内部的结构,日震学已取得了巨大的进展,然而我们至今仍不了解其脉动的激发机制,它依然是1个存在争议的问题.%The excitation mechanism of solar five-minute oscillations is studied in this paper. We calculated the non-adiabatic oscillations of low- and intermediate-degree (l= 1-25) g4-p39 modes for the Sun. Both the thermodynamic and dynamic couplings are taken into account by using our non-local and time-dependent theory of convection. The results show that all the low-frequency f- and p-modes with periods P > 5.4 minutes are pulsationally unstable, while the coupling between convection and oscillations is neglected. However, when the convection coupling is taken into account, all the g- and low-frequency f- and p-modes with periods longer than ~16 minutes (except the low-degree pl-modes) and the high frequency p-modes with periods shorter than ~3 minutes become stable, and the intermediate-frequency p-modes with period from~3 to ~16 minutes are pulsationally unstable. The pulsation amplitude growth rates depend only on the frequency and almost do not depend on l They achieve the maximum at v ~ 3700 μHz (or P ~ 270 seconds). The coupling between convection and oscillations plays a key role for stabilization of low-frequency f- and p-modes and excitation of intermediate-frequency p-modes. We propose that the solar 5-minute oscillations are not caused by any single excitation mechanism, but they are resulted from the combined effect of "regular" coupling between convection and oscillations and turbulent stochastic excitation. For low- and intermediate-frequency p-modes, the coupling between convection and oscillations dominates; while for high-frequency modes, stochastic excitation dominates.

  4. Description of adsorption equilibrium of PAHs on hypercrosslinked polymeric adsorbent using Polanyi potential theory

    Institute of Scientific and Technical Information of China (English)

    LONG Chao; LI AiMin; HU DaBo; LIU FuQiang; ZHANG QuanXing

    2008-01-01

    In this research, static adsorption of three polycyclic aromatic hydrocarbons (PAHs), naphthalene, acenaphthene, and fluorene, from aqueous solutions onto hypercrosslinked polymeric adsorbent within the temperature range of 288-308 K is investigated. Several isotherm equations are correlated with the equilibrium data, and the experimental data is found to fit the Polanyi-Dubinin-Manes model best within the entire range of concentrations, providing evidence that pore-filling is the dominating sorption mechanism for PAHs. The study shows that the molecular size of adsorbates has distinct in-fluence on adsorption capacity of hypercrosslinked polymeric adsorbent for the PAHs; the larger the adsorbate molecular size, the lower the adsorption equilibrium capacity. Based on the Polanyi-Dubinin-Manes model, the molecular size of adsorbates was introduced to adjust the adsorbate molar volume. Plots of qv vs. (σε/Vs) are collapsed to a single correlation curve for different adsorbates on hypercrosslinked polymeric resin.

  5. 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.

  6. Multiple Decay Mechanisms and 2D‐UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine‐Uracil Monophosphate

    Science.gov (United States)

    Li, Quansong; Giussani, Angelo; Segarra‐Martí, Javier; Nenov, Artur; Rivalta, Ivan; Voityuk, Alexander A.; Mukamel, Shaul; Roca‐Sanjuán, Daniel

    2016-01-01

    Abstract The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D‐UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer in the excited state dynamics. The adenine 1La state can decay without a barrier to a conical intersection with the ground state. In contrast, the adenine 1Lb and uracil S(U) states have minima that are separated from the intersections by sizeable barriers. Depending on the backbone conformation, the CT state can undergo inter‐base hydrogen transfer and decay to the ground state through a conical intersection, or it can yield a long‐lived minimum stabilized by a hydrogen bond between the two ribose rings. This suggests that the 1Lb, S(U) and CT states of the stacked conformer may all contribute to the experimental lifetimes of 18 and 240 ps. We have also simulated the time evolution of the 2D‐UV spectra and provide the specific fingerprint of each species in a recommended probe window between 25 000 and 38 000 cm−1 in which decongested, clearly distinguishable spectra can be obtained. This is expected to allow the mechanistic scenarios to be discerned in the near future with the help of the corresponding experiments. Our results reveal the complexity of the photophysics of the relatively small ApU system, and the potential of 2D‐UV spectroscopy to disentangle the photophysics of multichromophoric systems. PMID:27113273

  7. Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.

    Science.gov (United States)

    Li, Quansong; Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Voityuk, Alexander A; Mukamel, Shaul; Roca-Sanjuán, Daniel; Garavelli, Marco; Blancafort, Lluís

    2016-05-23

    The decay channels of singlet excited adenine uracil monophosphate (ApU) in water are studied with CASPT2//CASSCF:MM potential energy calculations and simulation of the 2D-UV spectroscopic fingerprints with the aim of elucidating the role of the different electronic states of the stacked conformer in the excited state dynamics. The adenine (1) La state can decay without a barrier to a conical intersection with the ground state. In contrast, the adenine (1) Lb and uracil S(U) states have minima that are separated from the intersections by sizeable barriers. Depending on the backbone conformation, the CT state can undergo inter-base hydrogen transfer and decay to the ground state through a conical intersection, or it can yield a long-lived minimum stabilized by a hydrogen bond between the two ribose rings. This suggests that the (1) Lb , S(U) and CT states of the stacked conformer may all contribute to the experimental lifetimes of 18 and 240 ps. We have also simulated the time evolution of the 2D-UV spectra and provide the specific fingerprint of each species in a recommended probe window between 25 000 and 38 000 cm(-1) in which decongested, clearly distinguishable spectra can be obtained. This is expected to allow the mechanistic scenarios to be discerned in the near future with the help of the corresponding experiments. Our results reveal the complexity of the photophysics of the relatively small ApU system, and the potential of 2D-UV spectroscopy to disentangle the photophysics of multichromophoric systems.

  8. MOLECULAR IMPRINTED POLYMERS—Novel Polymer Adsorbents

    Institute of Scientific and Technical Information of China (English)

    LIHaitao; XUMancai; 等

    2001-01-01

    Molecular imprinted polymers(MIPs) are novel functional polymer materials and known as specific adsorbents for the template molecules,These novel functional polymers have promised potential applications in racemic resolution,sensor,chromatography,adsorptive separation and other fields.This review exhibits the approach for preparing MIPs,the features of MIPs obtained by different routes and the characteristics of adsorptive separations with MIPs.The molecular recognition mechanism and the idea of the present possibilities and limitations of molecular imprinting polymerization are discussed as well.

  9. Cutaneous nociceptors lack sensitisation, but reveal μ-opioid receptor-mediated reduction in excitability to mechanical stimulation in neuropathy

    Directory of Open Access Journals (Sweden)

    Schmidt Yvonne

    2012-11-01

    Full Text Available Abstract Background Peripheral nerve injuries often trigger a hypersensitivity to tactile stimulation. Behavioural studies demonstrated efficient and side effect-free analgesia mediated by opioid receptors on peripheral sensory neurons. However, mechanistic approaches addressing such opioid properties in painful neuropathies are lacking. Here we investigated whether opioids can directly inhibit primary afferent neuron transmission of mechanical stimuli in neuropathy. We analysed the mechanical thresholds, the firing rates and response latencies of sensory fibres to mechanical stimulation of their cutaneous receptive fields. Results Two weeks following a chronic constriction injury of the saphenous nerve, mice developed a profound mechanical hypersensitivity in the paw innervated by the damaged nerve. Using an in vitro skin-nerve preparation we found no changes in the mechanical thresholds and latencies of sensory fibres from injured nerves. The firing rates to mechanical stimulation were unchanged or reduced following injury. Importantly, μ-opioid receptor agonist [D-Ala2,N-Me-Phe4,Gly5]-ol-enkephalin (DAMGO significantly elevated the mechanical thresholds of nociceptive Aδ and C fibres. Furthermore, DAMGO substantially diminished the mechanically evoked discharges of C nociceptors in injured nerves. These effects were blocked by DAMGO washout and pre-treatment with the selective μ-opioid receptor antagonist Cys2-Tyr3-Orn5-Pen7-amide. DAMGO did not alter the responses of sensory fibres in uninjured nerves. Conclusions Our findings suggest that behaviourally manifested neuropathy-induced mechanosensitivity does not require a sensitised state of cutaneous nociceptors in damaged nerves. Yet, nerve injury renders nociceptors sensitive to opioids. Prevention of action potential generation or propagation in nociceptors might represent a cellular mechanism underlying peripheral opioid-mediated alleviation of mechanical hypersensitivity in neuropathy.

  10. Excitation of the soliton-type wave of change of reflection and conduction in the rubber: new experimental data important for its mechanism development

    Science.gov (United States)

    Kudriavtsev, Eugene M.; Zodov, S. D.

    2002-05-01

    It was shown experimentally, that in elastic soft polymer samples such as rubber the IR-laser pulse excites components of the soliton-like Wave of change of reflection and conduction (WCRC). It is most probable, that the arrival of a wave results in local decreasing of the temperature of different rubber samples. At room temperature the WCRC velocity measurement for two vacuum rubber samples with different thickness given agreeable data correspond to the nineteenth WCRC component. In crude, not polymerized rubber and at cooling of vacuum rubber up to approximately 230 K the WCRC also was excited. As well as in researches with plexiglas, in the present work of the effect of saturation of a new sample by components of soliton-like WCRC was observed. The obtained data confirm availability of soliton properties for studied WCRC and in applicability of the dislocations recombination mechanism as the causes resulting in formation WCRC. These results are important for the WCRC mechanism development. It presents a phenomenon, which in process of its research appears to be more and more universal. The work was made at financial support by RFBR, project 00-02-17249-(a), and by KIE.

  11. 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.

  12. Initial mechanisms for the decomposition of electronically excited energetic materials: 1,5'-BT, 5,5'-BT, and AzTT.

    Science.gov (United States)

    Yuan, Bing; Yu, Zijun; Bernstein, Elliot R

    2015-03-28

    Decomposition of nitrogen-rich energetic materials 1,5'-BT, 5,5'-BT, and AzTT (1,5'-Bistetrazole, 5,5'-Bistetrazole, and 5-(5-azido-(1 or 4)H-1,2,4-triazol-3-yl)tetrazole, respectively), following electronic state excitation, is investigated both experimentally and theoretically. The N2 molecule is observed as an initial decomposition product from the three materials, subsequent to UV excitation, with a cold rotational temperature (materials are explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) level illustrate that conical intersections play an essential role in the decomposition mechanism. Electronically excited S1 molecules can non-adiabatically relax to their ground electronic states through (S1/S0)CI conical intersections. 1,5'-BT and 5,5'-BT materials have several (S1/S0)CI conical intersections between S1 and S0 states, related to different tetrazole ring opening positions, all of which lead to N2 product formation. The N2 product for AzTT is formed primarily by N-N bond rupture of the -N3 group. The observed rotational energy distributions for the N2 products are consistent with the final structures of the respective transition states for each molecule on its S0 potential energy surface. The theoretically derived vibrational temperature of the N2 product is high, which is similar to that found for energetic salts and molecules studied previously.

  13. Fabricating electrospun cellulose nanofibre adsorbents for ion-exchange chromatography.

    Science.gov (United States)

    Dods, Stewart R; Hardick, Oliver; Stevens, Bob; Bracewell, Daniel G

    2015-01-09

    Protein separation is an integral step in biopharmaceutical manufacture with diffusion-limited packed bed chromatography remaining the default choice for industry. Rapid bind-elute separation using convective mass transfer media offers advantages in productivity by operating at high flowrates. Electrospun nanofibre adsorbents are a non-woven fibre matrix of high surface area and porosity previously investigated as a bioseparation medium. The effects of compression and bed layers, and subsequent heat treatment after electrospinning cellulose acetate nanofibres were investigated using diethylaminoethyl (DEAE) or carboxylate (COO) functionalisations. Transbed pressures were measured and compared by compression load, COO adsorbents were 30%, 70% and 90% higher than DEAE for compressions 1, 5 and 10MPa, respectively, which was attributed to the swelling effect of hydrophilic COO groups. Dynamic binding capacities (DBCs) at 10% breakthrough were measured between 2000 and 12,000CV/h (2s and 0.3s residence times) under normal binding conditions, and DBCs increased with reactant concentration from 4 to 12mgBSA/mL for DEAE and from 10 to 21mglysozyme/mL for COO adsorbents. Comparing capacities of compression loads applied after electrospinning showed that the lowest load tested, 1MPa, yielded the highest DBCs for DEAE and COO adsorbents at 20mgBSA/mL and 27mglysozyme/mL, respectively. At 1MPa, DBCs were the highest for the lowest flowrate tested but stabilised for flowrates above 2000CV/h. For compression loads of 5MPa and 10MPa, adsorbents recorded lower DBCs than 1MPa as a result of nanofibre packing and reduced surface area. Increasing the number of bed layers from 4 to 12 showed decreasing DBCs for both adsorbents. Tensile strengths were recorded to indicate the mechanical robustness of the adsorbent and be related to packing the nanofibre adsorbents in large scale configurations such as pleated cartridges. Compared with an uncompressed adsorbent, compressions of 1, 5

  14. A Review of Adsorbents Used for Storm Water Runoff Cleaning

    Directory of Open Access Journals (Sweden)

    Andrius Agintas

    2011-04-01

    Full Text Available Heavy metals, petroleum products, sediments and other pollutants get in the environment with insufficiently cleaned storm water runoff. Contaminated storm water runoff is one of the most significant sources for pollution in rivers, lakes and estuaries. Storm water runoff must be treated using not only simple methods but also using adsorption processes. Adsorbents can be natural organic, natural nonorganic and synthetic. Main adsorption characteristic, way of utilization and storm water runoff inflow rate, quantity and pollution need to be investigated when trying to use adsorbents in reasonably way. It is very important to treat storm water properly during the primary mechanical treatment otherwise adsorbents will act as mechanical filters.Article in Lithuanian

  15. Electronic and electrochemical doping of graphene by surface adsorbates

    Directory of Open Access Journals (Sweden)

    Hugo Pinto

    2014-10-01

    Full Text Available Many potential applications of graphene require its precise and controllable doping with charge carriers. Being a two-dimensional material graphene is extremely sensitive to surface adsorbates, so its electronic properties can be effectively modified by deposition of different atoms and molecules. In this paper, we review two mechanisms of graphene doping by surface adsorbates, namely electronic and electrochemical doping. Although, electronic doping has been extensively studied and discussed in the literature, much less attention has been paid to electrochemical doping. This mechanism can, however, explain the doping of graphene by adsorbates for which no charge transfer is expected within the electronic doping model. In addition, electrochemical doping is in the origin of the hysteresis effects often observed in graphene-based field effect transistors when operating in the atmospheric environment.

  16. Adsorbate-metal bond effect on empirical determination of surface plasmon penetration depth.

    Science.gov (United States)

    Kegel, Laurel L; Menegazzo, Nicola; Booksh, Karl S

    2013-05-21

    The penetration depth of surface plasmons is commonly determined empirically from the observed response for adsorbate loading on gold surface plasmon resonance (SPR) substrates. However, changes in the SPR spectrum may originate from both changes in the effective refractive index near the metal surface and changes in the metal permittivity following covalent binding of the adsorbate layer. Herein, the significance of incorporating an additional adsorbate-metal bonding effect in the calculation is demonstrated in theory and in practice. The bonding effect is determined from the nonzero intercept of a SPR shift versus adsorbate thickness calibration and incorporated into the calculation of penetration depth at various excitation wavelengths. Determinations of plasmon penetration depth with and without the bonding response for alkanethiolate-gold are compared and are shown to be significantly different for a thiol monolayer adsorbate system. Additionally, plasmon penetration depth evaluated with bonding effect compensation shows greater consistency over different adsorbate thicknesses and better agreement with theory derived from Maxwell's equation, particularly for adsorbate thicknesses that are much smaller (<5%) than the plasmon penetration depth. The method is also extended to a more practically applicable polyelectrolyte multilayer adsorbate system.

  17. Mechanism of deactivation of triplet-excited riboflavin by ascorbate, carotenoids, and tocopherols in homogeneous and heterogeneous aqueous food model systems.

    Science.gov (United States)

    Cardoso, Daniel R; Olsen, Karsten; Skibsted, Leif H

    2007-07-25

    Tocopherols (alpha, beta, gamma, and delta) and Trolox were found to deactivate triplet-excited riboflavin in homogeneous aqueous solution (7:3 v/v tert-butanol/water) with second-order reaction rates close to diffusion control [k2 between 4.8 x 10(8) (delta-tocopherol) and 6.2 x 10(8) L mol(-1) s(-1) (Trolox) at 24.0 +/- 0.2 degrees C] as determined by laser flash photolysis transient absorption spectroscopy. In aqueous buffer (pH 6.4) the rate constant for Trolox was 2.6 x 10(9) L mol(-1) s1 and comparable to the rate constant found for ascorbate (2.0 x 10(9) L mol(-1) s(-1)). The deactivation rate constant was found to be inferior in heterogeneous systems as shown for alpha-tocopherol and Trolox in aqueous Tween-20 emulsion (approximately by a factor of 4 compared to 7:3 v/v tert-butanol/water). Neither beta-carotene (7:3 v/v tert-butanol/water and Tween-20 emulsion), lycopene (7:3 v/v tert-butanol/water), nor crocin (aqueous buffer at pH 6.4, 7:3 v/v tert-butanol/water, and Tween-20 emulsion) showed any quenching on the triplet excited state of riboflavin. Therefore, all carotenoids seem to reduce the formation of triplet-excited riboflavin through an inner-filter effect. Activation parameters were based on the temperature dependence of the triplet-excited deactivation between 15 and 35 degrees C, and the isokinetic behavior, which was found to include purine derivatives previously studied, confirms a common deactivation mechanism with a bimolecular diffusion-controlled encounter with electron (or hydrogen atom) transfer as rate-determining step. DeltaH for deactivation by ascorbic acid, Trolox, and homologue tocopherols (ranging from 18 kJ mol(-1) for Trolox in Tween-20 emulsion to 184 kJ mol(-1) for ascorbic acid in aqueous buffer at pH 6.4) showed a linear dependence on DeltaS (ranging from -19 J mol(-1) K(-1) for Trolox in aqueous buffer at pH 6.4 to +550 J mol(-1) K(-1) for ascorbic acid in aqueous buffer pH 6.4). Among photooxidation products from the

  18. Black Sprayable Molecular Adsorber Coating Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This novel molecular adsorber coating would alleviate the size, weight, and complexity issues of traditional molecular adsorber puck.  A flexible tape version...

  19. Probing the temperature dependence of the mechanical properties of polymers at the nanoscale with band excitation thermal scanning probe microscopy.

    Science.gov (United States)

    Nikiforov, M P; Jesse, S; Morozovska, A N; Eliseev, E A; Germinario, L T; Kalinin, S V

    2009-09-30

    Understanding local mechanisms for temperature-induced phase transitions in polymers requires quantitative measurements of the thermomechanical behavior, including glass transition and melting temperatures as well as temperature dependent elastic and loss modulus and thermal expansion coefficients in nanoscale volumes. Here, we demonstrate an approach for probing local thermal phase transitions based on the combination of thermal field confinement by a heated SPM probe and multi-frequency thermomechanical detection. The local measurement of the glass transition temperature is demonstrated and the detection limits are established.

  20. Selection and evaluation of adsorbents for the removal of anionic surfactants from laundry rinsing water.

    Science.gov (United States)

    Schouten, Natasja; van der Ham, Louis G J; Euverink, Gert-Jan W; de Haan, André B

    2007-10-01

    Low-cost adsorbents were tested to remove anionic surfactants from laundry rinsing water to allow re-use of water. Adsorbents were selected corresponding to the different surfactant adsorption mechanisms. Equilibrium adsorption studies of linear alkyl benzene sulfonate (LAS) show that ionic interaction results in a high maximum adsorption capacity on positively charged adsorbents of 0.6-1.7 gLAS/g. Non-ionic interactions, such as hydrophobic interactions of LAS with non-ionic resins or activated carbons, result in a lower adsorption capacity of 0.02-0.6 gLAS/g. Negatively charged materials, such as cation exchange resins or bentonite clay, have negligible adsorption capacities for LAS. Similar results are obtained for alpha olefin sulfonate (AOS). Cost comparison of different adsorbents shows that an inorganic anion exchange material (layered double hydroxide) and activated carbons are the most cost-effective materials in terms of the amount of surfactant adsorbed per dollar worth of adsorbent.

  1. Inhibition of brain cell excitability by lidocaine, QX314, and tetrodotoxin: a mechanism for analgesia from infused local anesthetics?

    Science.gov (United States)

    Butterworth, J; Cole, L; Marlow, G

    1993-07-01

    Local anesthetic infusions have been used to provide analgesia in a variety of painful conditions. The mechanism for this drug effect remains unknown. To better define the electrical effects of lidocaine concentrations comparable to those obtained during analgesic infusions, lidocaine (0.05-3 mmol.l-1), QX314 (an obligatorily charged, quaternary lidocaine derivative applied within the cells), and tetrodotoxin (10 mmol.l-1) were applied to rat hippocampal pyramidal cells. The three drugs, which inhibit Na+ currents by varying mechanisms, produced tonic increases in (firing) current threshold, and decreases in the amplitude of action potentials measured using an intracellular microelectrode technique. Lidocaine inhibited action potential spikes and increased current threshold in a concentration-dependent fashion. Lidocaine 50 and 100 mumol.l-1 did not inhibit action potentials, but increased firing threshold by nearly 100%. Lidocaine 1-3 mmol.l-1 significantly inhibited action potential amplitude and increased threshold by as much as 800%. Similarly, QX314 and tetrodotoxin produced greater increases in current threshold than in action potential amplitude. QX314 produced phasic (or frequency-dependent) block during trains of stimuli at 1 Hz, even when almost no tonic block was present. Lidocaine produced less phasic block than QX314, and required both greater tonic block and more frequent stimulation to produce the phenomenon. Tetrodotoxin demonstrated no phasic block. Increases in current threshold occurred in lidocaine concentrations associated with analgesia and toxicity; inhibition of action potentials occurred scarcely at all at these concentrations. Thus, tonic increases in current threshold may underlie analgesia and supplementation of general anesthesia by intravenous lidocaine.

  2. Radiative electronic energy transfer-time studies of naphthalene-biacetyl system by one and two-photon excitation, and optical antenna mechanism.

    Science.gov (United States)

    Bayrakceken, Fuat

    2005-04-01

    In principle, the optical energy absorbed by a complex molecule raises that molecule to one of its excited states, and afterwards this excitation energy decays through the relaxation channels. Initially, electronically excited naphthalene emits photons and these emitted photons are absorbed by the acceptor molecule biacetyl, then excited biacetyl fluoresces. In this investigation radiative energy transfer-time is measured in cyclohexane by one and two-photon excitations. The UV-vis spectrum of biacetyl vapor at room temperature conditions was broad and structureless.

  3. Selection and evaluation of adsorbents for the removal of anionic surfactants from laundry rinsing water

    NARCIS (Netherlands)

    Schouten, Natasja; Ham, Louis G.J. van der; Euverink, Gert-Jan W.; Haan, André B. de

    2007-01-01

    Low-cost adsorbents were tested to remove anionic surfactants from laundry rinsing water to allow re-use of water. Adsorbents were selected corresponding to the different surfactant adsorption mechanisms. Equilibrium adsorption studies of linear alkyl benzene sulfonate (LAS) show that ionic interact

  4. Excitation of Stellar Pulsations

    DEFF Research Database (Denmark)

    Houdek, G.

    2012-01-01

    In this review I present an overview of our current understanding of the physical mechanisms that are responsible for the excitation of pulsations in stars with surface convection zones. These are typically cooler stars such as the δ Scuti stars, and stars supporting solar-like oscillations....

  5. Excitation energy transfer in donor-bridge-acceptor systems: a combined quantum-mechanical/classical analysis of the role of the bridge and the solvent.

    Science.gov (United States)

    Caprasecca, Stefano; Mennucci, Benedetta

    2014-08-21

    The technical application of excitation energy transfer requires a fine control of the geometry of the system. This can be achieved by introducing a chemical bridge between the donor and acceptor moieties that can be tuned in its chemical properties and its length. In such donor-bridge-acceptor systems, however, the role of the bridge in enhancing or depleting the energy transfer efficiency is not easy to predict. Here we propose a computational strategy based on the combination of time-dependent density functional theory, polarizable molecular mechanics and continuum approaches. The resulting three-layer model when applied to the study of the energy transfer process in different porphyrin-based systems, each characterized by a specific donor/acceptor pair and various types of bridges, allows us to dissect the role of through-bond and through-space mechanisms and clarify their dependence on the nature and length of the bridge as well as on the presence of a solvent.

  6. Effectiveness of the mechanical excitation applied to the olive paste: possible improving of the oil yield, in malaxation phase, by vibration systems

    Directory of Open Access Journals (Sweden)

    Tullia Gallina Toschi

    2014-02-01

    Full Text Available The mechanical vibrations characterized by a frequency lower than 200 Hz could promote the cells breakage and improve the oil extraction process by avoiding, at the same time, the negative effects on the commercial qualitative parameters due to the use of the heating during malaxation. Vibration tests were conducted by means of an electrodynamic shaker in order to find the optimal frequency levels of excitation, able to put in a resonant condition the olive paste. Sinusoidal accelerations at constant acceleration (120 m/s2, in a range between 5 and 200 Hz were explored. The 50 Hz and 80 Hz frequencies were able to put in resonant condition the olive paste. In the vibrated samples at 50 Hz (15 min of treatment, the maximum increment of the extraction efficiency (about 53% in comparison with the control, was observed. Further studies could be conducted in order to assess the synergic effect of the mechanical vibrations and the malaxation on the oil extraction efficiency, with the aim of reducing the time of the whole phase and avoiding changes in the oil quality traits.

  7. A working hypothesis about the cause of Be stars: Episodic outward leakage of low-frequency waves excited by the iron-peak κ-mechanism

    Science.gov (United States)

    Shibahashi, Hiromoto

    2014-02-01

    Observations indicate that a circumstellar disk is formed around a Be star while the stellar rotation is below the break-up velocity. I propose a working hypothesis to explain this mystery by taking account of the effect of leaky waves upon angular momentum transfer. In B-type stars near the main sequence, low-frequency nonradial oscillations are excited by the κ-mechanism in the iron bump. They transport angular momentum from the driving zone to the surface. As a consequence, the angular momentum is gradually deposited near the stellar surface. This results in a gradual increase in the ``critical frequency for g-modes'', and g-modes eventually start to leak outward, long before the surface rotation reaches the break-up velocity. This leads to a substantial amount of angular momentum loss from the star, and a circumstellar disk is formed. The oscillations themselves will be soon damped owing to kinetic energy loss. Then the envelope of the star spins down and angular momentum loss stops soon. The star returns to being quiet and remains calm until nonradial oscillations are newly built up by the κ-mechanism to sufficient amplitude and a new episode begins. According to this view, the interval of episodic Be-star activity corresponds to the growth time of the oscillation, and it seems in good agreement with observations.

  8. Controlling the Electronic Structure of Graphene Using Surface-adsorbate Interactions

    Science.gov (United States)

    2015-07-21

    utilization in novel optoelectronic devices [1–4]. These properties originate in the conical dispersion of states near theK point of the Brillouin zone...charge transfer from adsorbates (rather than intercalation) opens new possibilities in using optical ( laser ) excitations to control this coupling in

  9. Excited baryons

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, N.C.

    1986-01-01

    The status of the theory of the low-energy approach to hadron structure is reviewed briefly by surveying a few relevant models. A few examples of tests needed to sort out the predictions of different models pertaining to the quark-gluon structure of hadrons are discussed, and given the resulting physics objectives, a few experimental options for excited baryon research at CFBAF are suggested. (LEW)

  10. Excited-state proton coupled electron transfer between photolyase and the damaged DNA through water wire: a photo-repair mechanism.

    Science.gov (United States)

    Wang, Hongjuan; Chen, Xuebo; Fang, Weihai

    2014-12-14

    The photolyase enzyme absorbs blue light to repair damaged DNA through a cyclic electron transfer reaction. A description of the underlying mechanism has proven to be a challenging issue for both experimental and theoretical studies. In the present work, combined CASPT2//CASSCF/AMBER (QM/MM) calculations have been performed for damaged DNA in photolyase. A proton-coupled electron transfer (PCET) mechanism has been determined for restoring cyclobutane pyrimidine dimer (CPD) to two normal thymine bases by irradiation of photolyase. A well-defined water wire between FADH(-) and CPD was determined as a bridge to assist the PCET process within FADH(-) and thereby trigger the forward electron transfer to CPD. The subsequent CPD splitting and the alternation of the H-bond pattern proceed in a concerted way, which makes the productive backward electron transfer occur on an ultrafast timescale. A local minimum of SCT((1)ππ*)-LMin was identified on the pathway of the futile backward electron transfer (BET), which is stabilized by the strong H-bond interaction between the water wire and CPD. As a result, the futile BET process is endothermic by ∼18.0 kcal mol(-1), which is responsible for a 2.4 ns timescale inferred experimentally for the futile BET process. Besides the unbiased interpretation for the majority of the experimental findings, the present study provides a new excited-state PCET mechanism, which leads to a significant step toward a deeper understanding of the photo-repair process of damaged-DNA by the photolyase enzyme.

  11. Investigation of the near-field structure of jet diffusion flames by the laser sheet method. 2nd Report. Mechanism of flame stabilization by speaker excitation; Laser sheet ho ni yoru funryu kakusan kaen no kibu kozo no kaimei. 2. Speaker kashin ni yoru kaen anteika no mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Noda, S.; Kamitakahara, Y.; Onoreda, K.; Onuma, Y. [Toyohashi University of Technology, Aichi (Japan); Kamiya, S. [Yokogawa Analytical Systems Inc., Tokyo (Japan)

    1998-01-25

    The near-field structure of jet diffusion flames excited by a speaker has been investigated to make clear the mechanism of flame stabilization obtained by the excitation. Vortices in flames induced by the excitation were visualized using laser sheet method. The acoustic excitation lifts flames off under the stretch of large scale vortices, but the higher frequency excitation leads reattachment of lifted flames. This phenomenon has been reproduced by the numerical approach under the axisymmetric assumption. Consequently, the vortex push mechanism of flame propagation caused by small-scale vortex rings has been clarified. Moreover, the laser sheet visualization unveiled azimuthal structures attributed to streamwise vortices. Roles of baloclinic torque and pressure pushes related to the azimuthal structure have been also discussed. 32 refs., 6 figs., 1 tab.

  12. 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.

  13. Molecularly Imprinted Filtering Adsorbents for Odor Sensing

    Directory of Open Access Journals (Sweden)

    Sho Shinohara

    2016-11-01

    Full Text Available Versatile odor sensors that can discriminate among huge numbers of environmental odorants are desired in many fields, including robotics, environmental monitoring, and food production. However, odor sensors comparable to an animal’s nose have not yet been developed. An animal’s olfactory system recognizes odor clusters with specific molecular properties and uses this combinatorial information in odor discrimination. This suggests that measurement and clustering of odor molecular properties (e.g., polarity, size using an artificial sensor is a promising approach to odor sensing. Here, adsorbents composed of composite materials with molecular recognition properties were developed for odor sensing. The selectivity of the sensor depends on the adsorbent materials, so specific polymeric materials with particular solubility parameters were chosen to adsorb odorants with various properties. The adsorption properties of the adsorbents could be modified by mixing adsorbent materials. Moreover, a novel molecularly imprinted filtering adsorbent (MIFA, composed of an adsorbent substrate covered with a molecularly imprinted polymer (MIP layer, was developed to improve the odor molecular recognition ability. The combination of the adsorbent and MIP layer provided a higher specificity toward target molecules. The MIFA thus provides a useful technique for the design and control of adsorbents with adsorption properties specific to particular odor molecules.

  14. Theoretical Study of Photoabsorption Spectra near Si 2p Edges of Silanes: to Determine Orientations of Adsorbed Silanes

    Institute of Scientific and Technical Information of China (English)

    ZHANC Wei-Hua; LI Jia-Ming

    2007-01-01

    In the frame work of quantum defect theory, photoabsorption spectra near Si 2p edges of silane have been studied.When silanes are adsorbed on a physical surface and excited by polarized x-ray photons, relative intensities of the spectra will be different from that of free molecules. Such features can be used to determine orientations of adsorbed silanes based on selection rules.

  15. Sexual excitement.

    Science.gov (United States)

    Stoller, R J

    1976-08-01

    Sexual excitement depends on a scenario the person to be aroused has been writing since childhood. The story is an adventure, an autobiography disguised as fiction, in which the hero/heroine hides crucial intrapsychic conflicts, mysteries, screen memories of actual traumatic events and the resolution of these elements into a happy ending, best celebrated by orgasm. The function of the fantasy is to take these painful experiences and convert them to pleasure-triumph. In order to sharpen excitement-the vibration between the fear of original traumas repeating and the hope of a pleasurable conclusion this time-one introduces into the story elements of risk (approximations of the trauma) meant to prevent boredom and safety factors (sub-limnal signals to the storyteller that the risk are not truly dangerous). Sexual fantasy can be studied by means of a person's daydreams (including those chosen in magazines, books, plays, television, movies, and outright pornography), masturbatory behavior, object choice, foreplay, techniques of intercourse, or postcoital behavior.

  16. 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.

  17. Adsorption of phenolic compounds on low-cost adsorbents: A review.

    Science.gov (United States)

    Ahmaruzzaman, Md

    2008-11-04

    Adsorption techniques are widely used to remove certain classes of pollutants from wastewater. Phenolic compounds represent one of the problematic groups. Although commercial activated carbon is a preferred adsorbent for phenol removal, its widespread use is restricted due to the high cost. As such, alternative non-conventional adsorbents have been investigated. The natural materials, waste materials from industry and agriculture and bioadsorbents can be employed as inexpensive adsorbents. The review (i) presents a critical analysis of these materials; (ii) describes their characteristics, advantages and limitations; and (iii) discusses the various mechanisms involved. There are several issues and drawbacks concerned on the adsorption of phenolic compounds that have been discussed in this review article. It is evident from the review that low-cost adsorbents have demonstrated high removal capabilities for certain phenolic compounds. In particular, industrial waste might be a promising adsorbent for environmental and purification purposes.

  18. Doppler broadening of the. gamma. line and the mechanism for excitation of the /sup 12/C(2/sup +/,4. 43 MeV) level

    Energy Technology Data Exchange (ETDEWEB)

    Kirpichnikov, I.V.; Kuznetsov, V.A.; Levintov, I.I.; Starostin, A.S.

    1985-01-01

    The /sup 12/C(..pi../sup +/,X)/sup 12/C*(4.43 MeV) reaction has been investigated at the incident pion momentum 2.0 GeV/c. Analysis of the Doppler shape of the ..gamma.. line emitted by the excited nucleus showed that a considerable fraction of the excitation cross section must be attributed to processes involving the production of new particles, the mass of the produced system being close to the rho-meson mass.

  19. Femtosecond X-ray solution scattering reveals that bond formation mechanism of a gold trimer complex is independent of excitation wavelength

    Directory of Open Access Journals (Sweden)

    Kyung Hwan Kim

    2016-07-01

    Full Text Available The [Au(CN2−]3 trimer in water experiences a strong van der Waals interaction between the d10 gold atoms due to large relativistic effect and can serve as an excellent model system to study the bond formation process in real time. The trimer in the ground state (S0 exists as a bent structure without the covalent bond between the gold atoms, and upon the laser excitation, one electron in the antibonding orbital goes to the bonding orbital, thereby inducing the formation of a covalent bond between gold atoms. This process has been studied by various time-resolved techniques, and most of the interpretation on the structure and dynamics converge except that the structure of the first intermediate (S1 has been debated due to different interpretations between femtosecond optical spectroscopy and femtosecond X-ray solution scattering. Recently, the excitation wavelength of 267 nm employed in our previous scattering experiment was suggested as the culprit for misinterpretation. Here, we revisited this issue by performing femtosecond X-ray solution scattering with 310 nm excitation and compared the results with our previous study employing 267 nm excitation. The data show that a linear S1 structure is formed within 500 fs regardless of excitation wavelength and the structural dynamics observed at both excitation wavelengths are identical to each other within experimental errors.

  20. Research of the elastic waves generated by a pulse laser. Excitation mechanism of elastic waves and application to nondestructive testing; Pulse laser de reikishita danseiha ni kansuru kenkyu. Danseiha reiki no mechanism to hihakai kensa eno oyo

    Energy Technology Data Exchange (ETDEWEB)

    Cho, H.; Takemoto, M. [Aoyama Gakuin University, Tokyo (Japan). College of Science and Engineering

    1994-07-20

    A bulk wave is generated when a pulse laser is irradiated to the material, and the characteristics of a Young`s modulus and Poisson`s ratio can be nondestructively estimated from the bulk wave. The generation mechanism of laser ultrasonic waves must be first clarified for such application. In this paper, fundamental research was conducted to study the generation mechanism of the elastic waves excited by a Q-switched Nd-YAG laser, and the generation method and characteristics of Rayleigh waves. The following result was obtained. A bulk wave is generated by the disk-like adiabatic expansion near the surface if the laser power is small when a spot-shape pulse laser was irradiated. A bulk wave is generated by the thin disk-like adiabatic expansion beneath the surface due to the thermal diffusion in the depth direction of a base material when the laser power becomes large. Moreover, a bulk wave is generated by the impact force due to abrasion and plasma when the power becomes still larger. The information on the bulk wave characteristics and Rayleigh wave was also obtained. 25 refs., 15 figs., 1 tab.

  1. Modeling adsorbate-induced property changes of carbon nanotubes.

    Science.gov (United States)

    Groß, Lynn; Bahlke, Marc Philipp; Steenbock, Torben; Klinke, Christian; Herrmann, Carmen

    2017-05-05

    Because of their potential for chemical functionalization, carbon nanotubes (CNTs) are promising candidates for the development of devices such as nanoscale sensors or transistors with novel gating mechanisms. However, the mechanisms underlying the property changes due to functionalization of CNTs still remain subject to debate. Our goal is to reliably model one possible mechanism for such chemical gating: adsorption directly on the nanotubes. Within a Kohn-Sham density functional theory framework, such systems would ideally be described using periodic boundary conditions. Truncating the tube and saturating the edges in practice often offers a broader selection of approximate exchange-correlation functionals and analysis methods. By comparing the two approaches systematically for NH3 and NO2 adsorbates on semiconducting and metallic CNTs, we find that while structural properties are less sensitive to the details of the model, local properties of the adsorbate may be as sensitive to truncation as they are to the choice of exchange-correlation functional, and are similarly challenging to compute as adsorption energies. This suggests that these adsorbate effects are nonlocal. © 2017 Wiley Periodicals, Inc.

  2. Study on characteristics and mechanism of modified red mud particles adsorbent%改性赤泥颗粒吸附剂的性质及机理研究

    Institute of Scientific and Technical Information of China (English)

    王春丽; 吴俊奇; 宋永会; 向连城; 钱锋

    2016-01-01

    采用焙烧法对赤泥进行活化处理, 将其与粉煤灰、 碳酸氢钠和膨润土按照质量比为16:2:1:3制成改性赤泥颗粒, 该改性赤泥颗粒破碎率与磨损率之和为0.2%. 将其作为吸附剂, 采用静态吸附试验方法研究了该改性赤泥颗粒吸附剂对模拟含磷废水除磷的一般规律, 在磷的质量浓度为3~100 mg/L条件下, 考察了反应时间、初始磷浓度、 投加量等因素对改性赤泥颗粒吸附效果的影响, 经过计算得出其饱和吸附量. 结果表明, 改性赤泥颗粒对磷的去除效果在反应8 h后趋于稳定, 其最佳投加量为5 g/L, 改性赤泥颗粒的饱和吸附量为56.2 mg/g.%Red mud was activated by roasting, and then, was mixed with fly ash, sodium bicarbonate and bentonite in accordance with the mass ratio of 16 : 2 : 1 : 3 to prepare modified red mud particles. The sum of the said modified red mud particles breaking rate and wear rate was 0.2%. Using the said modified red mud par-ticles as adsorbent, the general rule of it removing phosphorus from simulant phosphorus-containing wastewater was investigated through a static adsorption test. Under the condition that the mass concentration of phosphorus was 3~ 100 mg/L, the effect of reaction time, initial phosphorus concentration, dosage and some other factors on phosphorus adsorption performance of the modified red mud particles were studied with the saturation adsorption amount calculated at the same time. The results showed that, the adsorption performance of the modified red mud particles on phosphorus tended to be stable in 8 h, the optimal dosage of the adsorbent was 5 g/L, the saturation adsorption amount of the modified red mud particles was 56.2 mg/L.

  3. Molecular properties of excited electronic state: formalism, implementation, and applications of analytical second energy derivatives within the framework of the time-dependent density functional theory/molecular mechanics.

    Science.gov (United States)

    Zeng, Qiao; Liu, Jie; Liang, WanZhen

    2014-05-14

    This work extends our previous works [J. Liu and W. Z. Liang, J. Chem. Phys. 135, 014113 (2011); J. Liu and W. Z. Liang, J. Chem. Phys. 135, 184111 (2011)] on analytical excited-state energy Hessian within the framework of time-dependent density functional theory (TDDFT) to couple with molecular mechanics (MM). The formalism, implementation, and applications of analytical first and second energy derivatives of TDDFT/MM excited state with respect to the nuclear and electric perturbations are presented. Their performances are demonstrated by the calculations of adiabatic excitation energies, and excited-state geometries, harmonic vibrational frequencies, and infrared intensities for a number of benchmark systems. The consistent results with the full quantum mechanical method and other hybrid theoretical methods indicate the reliability of the current numerical implementation of developed algorithms. The computational accuracy and efficiency of the current analytical approach are also checked and the computational efficient strategies are suggested to speed up the calculations of complex systems with many MM degrees of freedom. Finally, we apply the current analytical approach in TDDFT/MM to a realistic system, a red fluorescent protein chromophore together with part of its nearby protein matrix. The calculated results indicate that the rearrangement of the hydrogen bond interactions between the chromophore and the protein matrix is responsible for the large Stokes shift.

  4. Whole body traveling wave magnetic resonance imaging at high field strength: homogeneity, efficiency, and energy deposition as compared with traditional excitation mechanisms.

    Science.gov (United States)

    Zhang, Bei; Sodickson, Daniel K; Lattanzi, Riccardo; Duan, Qi; Stoeckel, Bernd; Wiggins, Graham C

    2012-04-01

    In 7 T traveling wave imaging, waveguide modes supported by the scanner radiofrequency shield are used to excite an MR signal in samples or tissue which may be several meters away from the antenna used to drive radiofrequency power into the system. To explore the potential merits of traveling wave excitation for whole-body imaging at 7 T, we compare numerical simulations of traveling wave and TEM systems, and juxtapose full-wave electrodynamic simulations using a human body model with in vivo human traveling wave imaging at multiple stations covering the entire body. The simulated and in vivo traveling wave results correspond well, with strong signal at the periphery of the body and weak signal deep in the torso. These numerical results also illustrate the complicated wave behavior that emerges when a body is present. The TEM resonator simulation allowed comparison of traveling wave excitation with standard quadrature excitation, showing that while the traveling wave B +1 per unit drive voltage is much less than that of the TEM system, the square of the average B +1 compared to peak specific absorption rate (SAR) values can be comparable in certain imaging planes. Both systems produce highly inhomogeneous excitation of MR signal in the torso, suggesting that B(1) shimming or other parallel transmission methods are necessary for 7 T whole body imaging.

  5. Dimeric configurations of atomic hydrogen adsorbed on a monolayer hexagonal boron nitride

    Science.gov (United States)

    Shi, Jianzhang; Hao, Ruirui; Ji, Linan; Feng, Shujian; Sun, Tianye

    2017-10-01

    Atomic hydrogen adsorbed on the two-dimensional monolayer hexagonal boron nitride is systematically discussed based on dispersion-corrected density function theory (DFT-D). Main emphasis has been placed on aggregation states of two hydrogen atoms, including equal or ectopic adsorption with single side, and double-sided adsorption. The hydrogen atoms are chemisorbed on the top of boron sites, while they are physisorbed on the top of nitrogen or honeycomb sites. Furthermore, two adsorbed hydrogen atoms are most likely to keep close to form meta-TB dimer with single side. Besides, a possible stabilizing mechanism related to the adsorbed performance is investigated.

  6. Selection and evaluation of adsorbents for the removal of anionic surfactants from laundry rinsing water

    OpenAIRE

    2007-01-01

    Low-cost adsorbents were tested to remove anionic surfactants from laundry rinsing water to allow re-use of water. Adsorbents were selected corresponding to the different surfactant adsorption mechanisms. Equilibrium adsorption studies of linear alkyl benzene sulfonate (LAS) show that ionic interaction results in a high maximum adsorption capacity on positively charged adsorbents of 0.6–1.7 g LAS/g. Non-ionic interactions, such as hydrophobic interactions of LAS with non-ionic resins or activ...

  7. The Dynamics and Structures of Adsorbed Surfaces

    DEFF Research Database (Denmark)

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

    1978-01-01

    Reviews neutron scattering work performed on films of simple gas atoms and molecules adsorbed primarily on graphite surfaces. Exfoliated graphite substrates such as Grafoil were first used in this kind of measurements about five years ago and new results have been reported at an increasing pace...... of molecules such as NH3 or the internal modes of adsorbed molecules such as C4H10. Neutron scattering measurements where substrates other than graphite products are used as the adsorbents will not be reviewed here. However, the power of the technique will be demonstrated in an example of H2 physisorbed...

  8. Study of the excitation mechanisms of the second positive system in the negative glow of a N{sub 2}-Ar discharge

    Energy Technology Data Exchange (ETDEWEB)

    Isola, L; Lopez, M; Gomez, B J, E-mail: isola@ifir-conicet.gov.ar [Instituto de Fisica Rosario (CONICET-UNR) 27 Febrero 210 Bis. (S2000EZP) Rosario (Argentina)

    2011-09-21

    In an Ar-N{sub 2} discharge, the high excitation transfer from Ar({sup 3}P{sub 2,0}) to N{sub 2} produces an overpopulation of the high rotational levels of the bands of the second positive system (SPS), and so the spectra interpretation is not straightforward. This paper presents a fit function for the SPS bands measured in Ar-N{sub 2}, which allows us to study the excitation process contributions to the N{sub 2}(C) level. The procedure was tested in the negative glow of a pulsed Ar-N{sub 2} discharge at a pressure of 2.5 Torr, for different mixture concentrations. In this discharge, through the fitting, it was possible to calculate the variation of the N{sub 2}(C) densities produced by different excitation processes as well as the variation of Ar metastable density.

  9. 变压器励磁涌流的形成机理与仿真实验%Fomation Mechanism and Simulation of Excitation Inrush Current of Transformer

    Institute of Scientific and Technical Information of China (English)

    刘文博

    2015-01-01

    本文对变压器励磁涌流的形成及影响因素进行了分析,结合ATP-EMTP仿真软件,以"路"的观点建立暂态模型,通过改变相关参量,研究励磁涌流的成因与特点.%This paper analyzes the cause and influence factors of excitation inrush current of transformer. Combining with the ATP-EMTP simulation software, the transient model is set up in the"road"perspective. By changing the relative parameters,the causes and characteristics of excitation inrush current are researched.

  10. Dynamics in Adsorbed Homopolymer Layers: Entanglements and Osmotic Effects

    Science.gov (United States)

    Santore, Maria; Mubarekyan, Ervin

    2001-03-01

    This work seeks the dynamic mechanism for the exchange of homopolymer chains between a dilute solution and a layer adsorbed at the solid-liquid interface. With the model system of polyethylene oxide (PEO) adsorbed onto silica from aqueous solution, it is shown that the behavior of saturated interfaces compared to starved layers reveals an interesting trend: The characteristic self exchange time is dependent only on coverage, not molecular weight, for chains of 100K or less. Therefore, it is concluded that classical entanglements do not play a role below 100K. For all molecular weights, when the coverage of 0.2 mg/m2 is exceeded, the interfacial dynamics become slow. At lower coverages, chains lie flat in train, with no loops or tails, and no lateral interactions either. The onset of slow dynamics at higher coverages may be a result of both surface crowding and the resistance of loops and tails to new chains approaching the layer.

  11. Construction of a Sound and Perfect Excitation Mechanism of Human Resource Management%人力资源管理工作中激励机制的健全与完善

    Institute of Scientific and Technical Information of China (English)

    冯祖禹

    2016-01-01

    There is a link between human resources management and development of enterprises, and establishment of an effective excitation mechanism of it is beneficial to the improvement of competition. In this paper, focusing on the advantages of human resources management, the author points out the significance of forming an excitation mechanism, which has far-reaching effects on how to perfect the related excitation mechanisms and enhance the ability of human resources management for the enterprises themselves.%人力资源管理和企业发展之间有很大的关联,建立一个有效的人力资源管理的奖励机制更利于增强企业的竞争力。本文围绕人力资源管理的优越性进行研究,探讨了其激励机制的建立意义,对怎样完善人力资源管理相关的激励机制,增强企业自身的人力资源管理能力,有着深远的意义。

  12. Dissolved Air Flotation of arsenic adsorbent particles

    Directory of Open Access Journals (Sweden)

    M. Santander

    2015-04-01

    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 polyacrylamide (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.

  13. Behavior of macromolecules in adsorbed layers

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    A model for describing the behavior of macromolecules in adsorbed layers is developed by introducing a concept of distribution density of layer thickness U based on stochastic process and probabilistic statistics. The molecular behavior of layers adsorbed on clay particle surfaces is discussed; the random distribution and its statistics of the layer thickness are given by incorporating experimental results with an ionic polyelectrolyte with the molecular weight of 1.08×106 and chain charged density of 0.254.

  14. 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.

  15. Hydrophobic Porous Material Adsorbs Small Organic Molecules

    Science.gov (United States)

    Sharma, Pramod K.; Hickey, Gregory S.

    1994-01-01

    Composite molecular-sieve material has pore structure designed specifically for preferential adsorption of organic molecules for sizes ranging from 3 to 6 angstrom. Design based on principle that contaminant molecules become strongly bound to surface of adsorbent when size of contaminant molecules is nearly same as that of pores in adsorbent. Material used to remove small organic contaminant molecules from vacuum systems or from enclosed gaseous environments like closed-loop life-support systems.

  16. The Dynamics and Structures of Adsorbed Surfaces

    DEFF Research Database (Denmark)

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

    1978-01-01

    of molecules such as NH3 or the internal modes of adsorbed molecules such as C4H10. Neutron scattering measurements where substrates other than graphite products are used as the adsorbents will not be reviewed here. However, the power of the technique will be demonstrated in an example of H2 physisorbed...... to activated alumina and in an example where hydrogen is chemisorbed to Raney nickel...

  17. Photodissociation of HBr/LiF(001): A quantum mechanical model

    Science.gov (United States)

    Seideman, Tamar

    1993-01-01

    The photodissociation dynamics of HBr adsorbed on a LiF(001) surface is studied using time-independent quantum mechanics. The photodissociation lineshape and the Br(P(sub 1/2)-2)/Br(P(sub 3/2)-2) yield ratio are computed and compared with the corresponding quantities for gas phase photodissociation. The angular distribution of the hydrogen photofragments following excitation of adsorbed HBr is computed and found to agree qualitatively with experimental data. The effect of polarization of the photon is illustrated and discussed. The field polarization is found to affect significantly the magnitude of the photodissociation signal but not the angular dependence of the photofragment distribution, in agreement with experiment and in accord with expectations for a strongly aligned adsorbed phase.

  18. Photodissociation of HBr/LiF(001) - A quantum mechanical model

    Science.gov (United States)

    Seideman, Tamar

    1993-01-01

    The photodissociation dynamics of HBr adsorbed on an LiF(001) surface is studied using time-independent quantum mechanics. The photodissociation line shape and the Br(2P(1/2))/Br(2P(3/2)) yield ratio are computed and compared with the corresponding quantities for gas phase photodissociation. The angular distribution of the hydrogen photofragments following excitation of adsorbed HBr is computed and found to agree qualitatively with experimental data. The effect of polarization of the photon is illustrated and discussed. We find the field polarization to affect significantly the magnitude of the photodissociation signal but not the angular dependence of the photofragment distribution, in agreement with experiment and in accord with expectations for a strongly aligned adsorbed phase.

  19. Characterisation of adsorbents prepared by pyrolysis of sludge and sludge/disposal filter cake mix.

    Science.gov (United States)

    Velghe, I; Carleer, R; Yperman, J; Schreurs, S; D'Haen, Jan

    2012-05-15

    Copper and zinc removal from water (pH = 5.0) using adsorbents produced from slow and fast pyrolysis of industrial sludge and industrial sludge mixed with a disposal filter cake (FC), post treated with HCl, is investigated in comparison with a commercial adsorbent F400. The results show that a pseudo-second order kinetics model is followed. The Langmuir-Freundlich isotherm model is found to fit the data best. The capacity for heavy metal removal of studied adsorbents is generally better than that of commercial F400. The dominant heavy metal removal mechanism is cation exchange. Higher heavy metal removal capacity is associated with fast pyrolysis adsorbents and sludge/FC derived adsorbents, due to enhanced cation exchange. Improvement of Zn(2+) removal via 1 N HCl post-treatment is only effective when exchangeable cations of the adsorbent are substituted with H(+) ions, which boost the cation exchange capacity. Increase of temperature also enhances metal removal capacity. Fast pyrolysis sludge-based adsorbents can be reused after several adsorption-desorption cycles.

  20. Regenerable adsorbent for removing ammonia evolved from anaerobic reaction of animal urine

    Institute of Scientific and Technical Information of China (English)

    CHOU Liang-hsing; TSAI Ru-in; CHANG Jen-ray; LEE Maw-tien

    2006-01-01

    The waste gas evolved fiom biodegradation of animal mine contains ammonia causing environmental concerns. A new and effective method for removing ammonia from such waste gas using reactive adsorption is presented. In the process, activated carbon impregnated with H2SO4(H2SO4/C) is employed. Ammonia in the waste gas reacts with H2SO4 on the adsorbent instantaneously and completely to form (NH4)2SO4. The H2SO4/C adsorbent is high in NH3 adsorption capacity and regenerable. The NH3 removal capacity of this regenerable adsorbent is more than 30 times that of the adsorbents used normally in the industry. The spent H2SO4/C is regenerated by flowing low-pressure steam through the adsorbent bed to remove the (NH4)2SO4 fiom the adsorbent. The regeneration by-product is concentrated (NH4)2SO4 solution, which is a perfect liquid fertilizer for local use. Re-soaking the activated carbon with H2SO4 solution rejuvenates the activity of the adsorbent. Thus the H2SO4/C can be reused repeatedly. In the mechanism of this reactive adsorption process, trace of H2O in the waste gas is a required, which lends itself to treating ammonia gas saturated with moisture from biodegradation of animal urìne.

  1. Waste Material Adsorbents for Zinc Removal from Wastewater: A Comprehensive Review

    Directory of Open Access Journals (Sweden)

    Haider M. Zwain

    2014-01-01

    Full Text Available This review examines a variety of adsorbents and discusses mechanisms, modification methods, recovery and regeneration, and commercial applications. A summary of available researches has been composed by a wide range of potentially low-cost modified adsorbents including activated carbon, natural source adsorbents (clay, bentonite, zeolite, etc., biosorbents (black gram husk, sugar-beet pectin gels, citrus peels, banana and orange peels, carrot residues, cassava waste, algae, algal, marine green macroalgae, etc., and byproduct adsorbents (sawdust, lignin, rice husk, rice husk ash, coal fly ash, etc.. From the literature survey, different adsorbents were compared in terms of Zn2+ adsorption capacity; also Zn2+ adsorption capacity was compared with other metals adsorption. Thus, some of the highest adsorption capacities reported for Zn2+ are 168 mg/g powdered waste sludge, 128.8 mg/g dried marine green macroalgae, 73.2 mg/g lignin, 55.82 mg/g cassava waste, and 52.91 mg/g bentonite. Furthermore, modification of adsorbents can improve adsorption capacity. Regeneration cost is important, but if consumption of virgin adsorbent is reduced, then multiple economic, industrial, and environmental benefits can be gained. Finally, the main drawback of the already published Zn2+ adsorption researches is that their use is still in the laboratory stage mostly without scale-up, pilot studies, or commercialization.

  2. Description of adsorption equilibrium of PAHs on hypercrosslinked polymeric adsorbent using Polanyi potential theory

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In this research,static adsorption of three polycyclic aromatic hydrocarbons(PAHs),naphthalene,acenaphthene,and fluorene,from aqueous solutions onto hypercrosslinked polymeric adsorbent within the temperature range of 288-308 K is investigated.Several isotherm equations are correlated with the equilibrium data,and the experimental data is found to fit the Polanyi-Dubinin-Manes model best within the entire range of concentrations,providing evidence that pore-filling is the dominating sorption mechanism for PAHs.The study shows that the molecular size of adsorbates has distinct in-fluence on adsorption capacity of hypercrosslinked polymeric adsorbent for the PAHs;the larger the adsorbate molecular size,the lower the adsorption equilibrium capacity.Based on the Polanyi-Dubinin-Manes model,the molecular size of adsorbates was introduced to adjust the adsorbate molar volume.Plots of qv vs.(σε /Vs) are collapsed to a single correlation curve for different adsorbates on hypercrosslinked polymeric resin.

  3. Excitation mechanism of Er{sup 3+} in a-Si:H; Anregungsmechanismus von Er{sup 3+} in a-Si:H

    Energy Technology Data Exchange (ETDEWEB)

    Kuehne, H.

    2004-07-01

    The aim of this work is the examination of the optoelectronical material a-Si:H (Er). It is characterised in the good electronic properties of the a-Si:H and the emission wavelength of 1.5 micrometer of erbium which coincides with the absorbtion minimum of glasfibres. Photoluminescence measurements confirm the assumption that oxigen is necessary for the optical activation of Er{sup 3+} in addition to the symmetrical breaking of the crystal field. The flexible lattice of a-Si:H enables a high concentration of Erbium up to 5.10{sup 21}/cm{sup 3} with a quantum efficiency of the luminescence of 0.5-1.5.10{sup -4} at room temperature. Photoluminescence excitation and absorption measurements of a-Si:H (Er) show, that there is no direct excitation of the erbium ions because the absorption of the Er{sup 3+} ions is two orders of magnitude below the absorption of silicon. The excitation or the Er{sup 3+} ions takes place through the absorption in silicon with additional energy transfer to Erbium. Photoluminescence measurements are done in order to differentiate between the possible excitation channels, the intrinsic bond-bond channel and the excitation through defects. The different temperature dependence of the intensity of the intrinsic luminescence (77 K - 300 K >3 orders of magnitude) in comparison with the defect luminescence and the Erbium luminescence (both 1-1.5 orders of magnitude) shows that the energy transfer takes place over defects. Luminescence and absorption measurements with boron doped a-Si:H (Er) show no dependence of the Erbium luminescence in dependence of defect density or the electrical charge of the defects. The luminescence spectra show a break in the defect luminescence at 0.84 eV. This agrees with the first excited state of the Er{sup 3+} ion combined with a clearly smaller line width of the defect luminescence (0.18 eV in comparision with >0.3 eV in erbium free a-Si:H). This result shows the resonance of the energy transfer. The resonance is

  4. Development Trends in Porous Adsorbents for Carbon Capture.

    Science.gov (United States)

    Sreenivasulu, Bolisetty; Sreedhar, Inkollu; Suresh, Pathi; Raghavan, Kondapuram Vijaya

    2015-11-03

    Accumulation of greenhouse gases especially CO2 in the atmosphere leading to global warming with undesirable climate changes has been a serious global concern. Major power generation in the world is from coal based power plants. Carbon capture through pre- and post- combustion technologies with various technical options like adsorption, absorption, membrane separations, and chemical looping combustion with and without oxygen uncoupling have received considerable attention of researchers, environmentalists and the stake holders. Carbon capture from flue gases can be achieved with micro and meso porous adsorbents. This review covers carbonaceous (organic and metal organic frameworks) and noncarbonaceous (inorganic) porous adsorbents for CO2 adsorption at different process conditions and pore sizes. Focus is also given to noncarbonaceous micro and meso porous adsorbents in chemical looping combustion involving insitu CO2 capture at high temperature (>400 °C). Adsorption mechanisms, material characteristics, and synthesis methods are discussed. Attention is given to isosteric heats and characterization techniques. The options to enhance the techno-economic viability of carbon capture techniques by integrating with CO2 utilization to produce industrially important chemicals like ammonia and urea are analyzed. From the reader's perspective, for different classes of materials, each section has been summarized in the form of tables or figures to get a quick glance of the developments.

  5. Amine-functionalized porous silicas as adsorbents for aldehyde abatement.

    Science.gov (United States)

    Nomura, Akihiro; Jones, Christopher W

    2013-06-26

    A series of aminopropyl-functionalized silicas containing of primary, secondary, or tertiary amines is fabricated via silane-grafting on mesoporous SBA-15 silica and the utility of each material in the adsorption of volatile aldehydes from air is systematically assessed. A particular emphasis is placed on low-molecular-weight aldehydes such as formaldehyde and acetaldehyde, which are highly problematic volatile organic compound (VOC) pollutants. The adsorption tests demonstrate that the aminosilica materials with primary amines most effectively adsorbed formaldehyde with an adsorption capacity of 1.4 mmolHCHO g(-1), whereas the aminosilica containing secondary amines showed lower adsorption capacity (0.80 mmolHCHO g(-1)) and the aminosilica containing tertiary amines adsorbed a negligible amount of formaldehyde. The primary amine containing silica also successfully abated higher aldehyde VOC pollutants, including acetaldehyde, hexanal, and benzaldehyde, by effectively adsorbing them. The adsorption mechanism is investigated by (13)C CP MAS solid-state NMR and FT-Raman spectroscopy, and it is demonstrated that the aldehydes are chemically attached to the surface of aminosilica in the form of imines and hemiaminals. The high aldehyde adsorption capacities of the primary aminosilicas in this study demonstrate the utility of amine-functionalized silica materials for reduction of gaseous aldehydes.

  6. Adsorbent Selection by Functional Group Interaction Screening for Peptide Recovery

    NARCIS (Netherlands)

    Wijntje, Renze; Bosch, Hans; Haan, de Andre B.; Bussman, Paul

    2005-01-01

    In order to selectively adsorb small peptides from complex aqueous feeds, selective adsorbents are required. The goal is to first find adsorbents with capacity for triglycine, as triglycine contains all groups common to small peptides. Selectivity studies will follow. Adsorbent selection was based o

  7. The negative feedback molecular mechanism which regulates excitation level in the plant photosynthetic complex LHCII: towards identification of the energy dissipative state.

    Science.gov (United States)

    Zubik, Monika; Luchowski, Rafal; Puzio, Michal; Janik, Ewa; Bednarska, Joanna; Grudzinski, Wojciech; Gruszecki, Wieslaw I

    2013-03-01

    Overexcitation of the photosynthetic apparatus is potentially dangerous because it can cause oxidative damage. Photoprotection realized via the feedback de-excitation in the pigment-protein light-harvesting complex LHCII, embedded in the chloroplast lipid environment, was studied with use of the steady-state and time-resolved fluorescence spectroscopy techniques. Illumination of LHCII results in the pronounced singlet excitation quenching, demonstrated by decreased quantum yield of the chlorophyll a fluorescence and shortening of the fluorescence lifetimes. Analysis of the 77K chlorophyll a fluorescence emission spectra reveals that the light-driven excitation quenching in LHCII is associated with the intensity increase of the spectral band in the region of 700nm, relative to the principal band at 680nm. The average chlorophyll a fluorescence lifetime at 700nm changes drastically upon temperature decrease: from 1.04ns at 300K to 3.63ns at 77K. The results of the experiments lead us to conclude that: (i) the 700nm band is associated with the inter-trimer interactions which result in the formation of the chlorophyll low-energy states acting as energy traps and non-radiative dissipation centers; (ii) the Arrhenius analysis, supported by the results of the FTIR measurements, suggests that the photo-reaction can be associated with breaking of hydrogen bonds. Possible involvement of photo-isomerization of neoxanthin, reported previously (Biochim. Biophys. Acta 1807 (2011) 1237-1243) in generation of the low-energy traps in LHCII is discussed.

  8. Prussian blue caged in spongiform adsorbents using diatomite and carbon nanotubes for elimination of cesium.

    Science.gov (United States)

    Hu, Baiyang; Fugetsu, Bunshi; Yu, Hongwen; Abe, Yoshiteru

    2012-05-30

    We developed a spongiform adsorbent that contains Prussian blue, which showed a high capacity for eliminating cesium. An in situ synthesizing approach was used to synthesize Prussian blue inside diatomite cavities. Highly dispersed carbon nanotubes (CNTs) were used to form CNT networks that coated the diatomite to seal in the Prussian blue particles. These ternary (CNT/diatomite/Prussian-blue) composites were mixed with polyurethane (PU) prepolymers to produce a quaternary (PU/CNT/diatomite/Prussian-blue), spongiform adsorbent with an in situ foaming procedure. Prussian blue was permanently immobilized in the cell walls of the spongiform matrix and preferentially adsorbed cesium with a theoretical capacity of 167 mg/g cesium. Cesium was absorbed primarily by an ion-exchange mechanism, and the absorption was accomplished by self-uptake of radioactive water by the quaternary spongiform adsorbent.

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

    Science.gov (United States)

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

    2012-02-15

    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.

  10. NOx Removal and Effect of Adsorbate-Adsorbate Interactions

    DEFF Research Database (Denmark)

    Khan, Tuhin Suvra

    to obtain more accurate catalytic rates than with the commonly used non-interacting mean field model. I then applied the proposed adsorbate-adsorbate interaction model to three important catalytic reactions, the direct NO decomposition, CO methanation, and steam reforming of methane, and analyzed the effect...

  11. Black Molecular Adsorber Coatings for Spaceflight Applications

    Science.gov (United States)

    Abraham, Nithin Susan; Hasegawa, Mark Makoto; Straka, Sharon A.

    2014-01-01

    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. Size selective hydrophobic adsorbent for organic molecules

    Science.gov (United States)

    Sharma, Pramod K. (Inventor); Hickey, Gregory S. (Inventor)

    1997-01-01

    The present invention relates to an adsorbent formed by the pyrolysis of a hydrophobic silica with a pore size greater than 5 .ANG., such as SILICALITE.TM., with a molecular sieving polymer precursor such as polyfurfuryl alcohol, polyacrylonitrile, polyvinylidene chloride, phenol-formaldehyde resin, polyvinylidene difluoride and mixtures thereof. Polyfurfuryl alcohol is the most preferred. The adsorbent produced by the pyrolysis has a silicon to carbon mole ratio of between about 10:1 and 1:3, and preferably about 2:1 to 1:2, most preferably 1:1. The pyrolysis is performed as a ramped temperature program between about 100.degree. and 800.degree. C., and preferably between about 100.degree. and 600.degree. C. The present invention also relates to a method for selectively adsorbing organic molecules having a molecular size (mean molecular diameter) of between about 3 and 6 .ANG. comprising contacting a vapor containing the small organic molecules to be adsorbed with the adsorbent composition of the present invention.

  13. 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.

  14. Adsorbent catalytic nanoparticles and methods of using the same

    Science.gov (United States)

    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.

  15. RESONANT CAVITY EXCITATION SYSTEM

    Science.gov (United States)

    Baker, W.R.; Kerns, Q.A.; Riedel, J.

    1959-01-13

    An apparatus is presented for exciting a cavity resonator with a minimum of difficulty and, more specifically describes a sub-exciter and an amplifier type pre-exciter for the high-frequency cxcitation of large cavities. Instead of applying full voltage to the main oscillator, a sub-excitation voltage is initially used to establish a base level of oscillation in the cavity. A portion of the cavity encrgy is coupled to the input of the pre-exciter where it is amplified and fed back into the cavity when the pre-exciter is energized. After the voltage in the cavity resonator has reached maximum value under excitation by the pre-exciter, full voltage is applied to the oscillator and the pre-exciter is tunned off. The cavity is then excited to the maximum high voltage value of radio frequency by the oscillator.

  16. Controllable Catalysis with Nanoparticles: Bimetallic Alloy Systems and Surface Adsorbates

    KAUST Repository

    Chen, Tianyou

    2016-05-16

    Transition metal nanoparticles are privileged materials in catalysis due to their high specific surface areas and abundance of active catalytic sites. While many of these catalysts are quite useful, we are only beginning to understand the underlying catalytic mechanisms. Opening the “black box” of nanoparticle catalysis is essential to achieve the ultimate goal of catalysis by design. In this Perspective we highlight recent work addressing the topic of controlled catalysis with bimetallic alloy and “designer” adsorbate-stabilized metal nanoparticles.

  17. Mechanism Analysis and Modeling of Excitation Inrush Current in Transformer Differential Protection%变压器差动保护中励磁涌流产生的机理分析与建模

    Institute of Scientific and Technical Information of China (English)

    王志英; 唐祎侃成; 王志伟

    2013-01-01

    The overload transformer operation will generate high excitation inrush current and cause differential protection devices wrong operation. Analyze inrush current waveform to find out method to constrain wrong operation. Analyze generation mechanism of excitation inrush current in transformer differential protection. Then establish inrush current models of single-phase transformer and three-phase transformer separately. Validate the model by test. The test results show that the models accord with the characteristics of the flow, and can be used for computer modeling of transformer excitation inrush current.%  变压器空载投入时会产生很高的励磁涌流,造成差动保护装置误动作,分析涌流波形可以设法抑制误动。对变压器差动保护中励磁涌流产生的机理进行分析,分别对单相变压器和三相变压器的励磁涌流进行建模,并对其进行实验验证。实验结果表明:所建模型符合涌流的特点,可用于变压器励磁涌流的计算机建模。

  18. Initial mechanisms for the unimolecular decomposition of electronically excited nitrogen-rich energetic materials with tetrazole rings: 1-DTE, 5-DTE, BTA, and BTH.

    Science.gov (United States)

    Yuan, Bing; Bernstein, Elliot R

    2016-06-21

    Unimolecular decomposition of nitrogen-rich energetic molecules 1,2-bis(1H-tetrazol-1-yl)ethane (1-DTE), 1,2-bis(1H-tetrazol-5-yl)ethane (5-DET), N,N-bis(1H-tetrazol-5-yl)amine (BTA), and 5,5'-bis(tetrazolyl)hydrazine (BTH) has been explored via 283 nm two photon laser excitation. The maximum absorption wavelength in the UV-vis spectra of all four materials is around 186-222 nm. The N2 molecule, with a cold rotational temperature (energetic molecules open at the N1-N2 ring bond with the lowest energy barrier: the C-N bond opening has higher energy barrier than that for any of the N-N ring bonds. Therefore, the tetrazole rings open at their N-N bonds to release N2. The vibrational temperatures of N2 product from all four energetic materials are hot based on theoretical calculations. The different groups (CH2-CH2, NH-NH, and NH) joining the tetrazole rings can cause apparent differences in explosive behavior of 1-DTE, 5-DTE, BTA, and BTH. Conical intersections, non-Born-Oppenheimer interactions, and dynamics are the key features for excited electronic state chemistry of organic molecules, in general, and energetic molecules, in particular.

  19. 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.

  20. Facile preparation of salt-tolerant anion-exchange membrane adsorber using hydrophobic membrane as substrate.

    Science.gov (United States)

    Fan, Jinxin; Luo, Jianquan; Chen, Xiangrong; Wan, Yinhua

    2017-03-24

    In this study, a polyvinylidene fluoride (PVDF) hydrophobic membrane with high mechanical property was used as substrate to prepare salt-tolerant anion-exchange (STAE) membrane adsorber. Effective hydrophilization and functionalization of PVDF membrane was realized via polydopamine (PDA) deposition, thus overcoming the drawbacks of hydrophobic substrates including poor water permeability, inert property as well as severe non-specific adsorption. The following polyallylamine (PAH) coupling was carried out at pH 10.0, where unprotonated amine groups on PAH chains were more prone to couple with PDA. This membrane adsorber could remain 75% of protein binding capacity when NaCl concentration increased from 0 to 150mM, while its protein binding capacity was independent of flow rate from 10 to 100 membrane volume (MV)/min due to its high mechanical strength (tensile strength: 43.58±2.30MPa). With 200mM NaCl addition at pH 7.5, high purity (above 99%) and high recovery (almost 100%) of Immunoglobulin G (IgG) were obtained when using the STAE membrane adsorber to separate IgG/human serum albumin (HSA) mixture, being similar to that without NaCl at pH 6.0 (both under the flow rate of 10-100MV/min). Finally, the reliable reusability was confirmed by five reuse cycles of protein binding and elution operations. In comparison with commercial membrane adsorber, the new membrane adsorber exhibited a better mechanical property, higher IgG polishing efficiency and reusability, while the protein binding capacity was lower due to less NH2 density on the membrane. The outcome of this work not only offers a facile and effective approach to prepare membrane adsorbers based on hydrophobic membranes, but also demonstrates great potential of this new designed STAE membrane adsorbers for efficient monoclonal antibody (mAb) polishing. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. a simple a simple excitation control excitation control excitation ...

    African Journals Online (AJOL)

    eobe

    brushes for low power generators or brushless for high-power ... produce the primary dc fluxes are usually placed on the ... motor and the study was extended to over-excitation schemes ... automatic voltage controller (AVR) around this range.

  2. Effect of Adsorbent Diameter on the Performance of Adsorption Refrigeration

    Institute of Scientific and Technical Information of China (English)

    黄宏宇; 何兆红; 袁浩然; 小林敬幸; 赵丹丹; 窪田光宏; 郭华芳

    2014-01-01

    Adsorbents are important components in adsorption refrigeration. The diameter of an adsorbent can af-fect the heat and mass transfer of an adsorber. The effect of particle diameter on effective thermal conductivity was investigated. The heat transfer coefficient of the refrigerant and the void rate of the adsorbent layer can also affect the effective thermal conductivity of adsorbents. The performance of mass transfer in the adsorber is better when pressure drop decreases. Pressure drop decreases with increasing permeability. The permeability of the adsorbent layer can be improved with increasing adsorbent diameter. The effect of adsorbent diameter on refrigeration output power was experimentally studied. Output power initially increases and then decreases with increasing diameter under different cycle time conditions. Output power increases with decreasing cycle time under similar diameters.

  3. Activity of catalase adsorbed to carbon nanotubes: effects of carbon nanotube surface properties.

    Science.gov (United States)

    Zhang, Chengdong; Luo, Shuiming; Chen, Wei

    2013-09-15

    Nanomaterials have been studied widely as the supporting materials for enzyme immobilization. However, the interactions between enzymes and carbon nanotubes (CNT) with different morphologies and surface functionalities may vary, hence influencing activities of the immobilized enzyme. To date how the adsorption mechanisms affect the activities of immobilized enzyme is not well understood. In this study the adsorption of catalase (CAT) on pristine single-walled carbon nanotubes (SWNT), oxidized single-walled carbon nanotubes (O-SWNT), and multi-walled carbon nanotubes (MWNT) was investigated. The adsorbed enzyme activities decreased in the order of O-SWNT>SWNT>MWNT. Fourier transforms infrared spectroscopy (FTIR) and circular dichrois (CD) analyses reveal more significant loss of α-helix and β-sheet of MWNT-adsorbed than SWNT-adsorbed CAT. The difference in enzyme activities between MWNT-adsorbed and SWNT-adsorbed CAT indicates that the curvature of surface plays an important role in the activity of immobilized enzyme. Interestingly, an increase of β-sheet content was observed for CAT adsorbed to O-SWNT. This is likely because as opposed to SWNT and MWNT, O-SWNT binds CAT largely via hydrogen bonding and such interaction allows the CAT molecule to maintain the rigidity of enzyme structure and thus the biological function.

  4. A review of the use of red mud as adsorbent for the removal of toxic pollutants from water and wastewater.

    Science.gov (United States)

    Bhatnagar, Amit; Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

    2011-01-01

    Red mud (an aluminium industry waste) has received wide attention as an effective adsorbent for water pollution control, showing significant adsorption potential for the removal of various aquatic pollutants. In this review, an extensive list of red-mud-based adsorbents has been compiled and their adsorption capacities (maximum uptake value of the adsorbent for the pollutant or adsorbate being removed) for various aquatic pollutants (metal ions, dyes, phenolic compounds, inorganic anions) are presented. The review provides a summary of recent information obtained using batch studies and deals with the adsorption mechanisms involved. It is evident from the literature survey that red mud has been found to be efficient for the removal of various aquatic pollutants, especially arsenic and phosphate. However, there is still a need to investigate the practical utility of these adsorbents on a commercial scale.

  5. The biogeochemical cycle of the adsorbed template. II - Selective adsorption of mononucleotides on adsorbed polynucleotide templates

    Science.gov (United States)

    Lazard, Daniel; Lahav, Noam; Orenberg, James B.

    1988-01-01

    Experimental results are presented for the verification of the specific interaction step of the 'adsorbed template' biogeochemical cycle, a simple model for a primitive prebiotic replication system. The experimental system consisted of gypsum as the mineral to which an oligonucleotide template attaches (Poly-C or Poly-U) and (5-prime)-AMP, (5-prime)-GMP, (5-prime)-CMP and (5-prime)-UMP as the interacting biomonomers. When Poly-C or Poly-U were used as adsorbed templates, (5-prime)-GMP and (5-prime)-AMP, respectively, were observed to be the most strongly adsorbed species.

  6. The biogeochemical cycle of the adsorbed template. II - Selective adsorption of mononucleotides on adsorbed polynucleotide templates

    Science.gov (United States)

    Lazard, Daniel; Lahav, Noam; Orenberg, James B.

    1988-01-01

    Experimental results are presented for the verification of the specific interaction step of the 'adsorbed template' biogeochemical cycle, a simple model for a primitive prebiotic replication system. The experimental system consisted of gypsum as the mineral to which an oligonucleotide template attaches (Poly-C or Poly-U) and (5-prime)-AMP, (5-prime)-GMP, (5-prime)-CMP and (5-prime)-UMP as the interacting biomonomers. When Poly-C or Poly-U were used as adsorbed templates, (5-prime)-GMP and (5-prime)-AMP, respectively, were observed to be the most strongly adsorbed species.

  7. Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy

    Science.gov (United States)

    Farr, Erik P.; Zho, Chen-Chen; Challa, Jagannadha R.; Schwartz, Benjamin J.

    2017-08-01

    The structure of the hydrated electron, particularly whether it exists primarily within a cavity or encompasses interior water molecules, has been the subject of much recent debate. In Paper I [C.-C. Zho et al., J. Chem. Phys. 147, 074503 (2017)], we found that mixed quantum/classical simulations with cavity and non-cavity pseudopotentials gave different predictions for the temperature dependence of the rate of the photoexcited hydrated electron's relaxation back to the ground state. In this paper, we measure the ultrafast transient absorption spectroscopy of the photoexcited hydrated electron as a function of temperature to confront the predictions of our simulations. The ultrafast spectroscopy clearly shows faster relaxation dynamics at higher temperatures. In particular, the transient absorption data show a clear excess bleach beyond that of the equilibrium hydrated electron's ground-state absorption that can only be explained by stimulated emission. This stimulated emission component, which is consistent with the experimentally known fluorescence spectrum of the hydrated electron, decreases in both amplitude and lifetime as the temperature is increased. We use a kinetic model to globally fit the temperature-dependent transient absorption data at multiple temperatures ranging from 0 to 45 °C. We find the room-temperature lifetime of the excited-state hydrated electron to be 137 ±40 fs, in close agreement with recent time-resolved photoelectron spectroscopy (TRPES) experiments and in strong support of the "non-adiabatic" picture of the hydrated electron's excited-state relaxation. Moreover, we find that the excited-state lifetime is strongly temperature dependent, changing by slightly more than a factor of two over the 45 °C temperature range explored. This temperature dependence of the lifetime, along with a faster rate of ground-state cooling with increasing bulk temperature, should be directly observable by future TRPES experiments. Our data also suggest

  8. Heparin interaction with protein-adsorbed surfaces

    NARCIS (Netherlands)

    Winterton, Lynn C.; Andrade, Joseph D.; Feijen, Jan; Kim, Sung Wan

    1986-01-01

    Albumin and fibrinogen show no binding affinity to varied molecular weights of heparin at physiological pH. Human plasma fibronectin was shown to bind heparins in both the solution and adsorbed states. Fibronectin was shown to have six active binding sites for heparins which may be sterically blocke

  9. Linear Sweep Voltammetry of Adsorbed Neutral Red.

    Science.gov (United States)

    1982-05-01

    E. Creager, G. T. Marks, D. A. Aikens and H. H. Richtol Prepared for Publication in Journal of Electroanalytical Chemistry Rensselaer Polytechnic... Electroanalytical Chemistry It. KEY WORDS (Continue oun reverse side It necessary mid Ideneliy by block ntaibor) Neutral Red, cyclic voltammetry, adsorbed dye 20

  10. Radon emanation from radium specific adsorbents.

    Science.gov (United States)

    Alabdula'aly, Abdulrahman I; Maghrawy, Hamed B

    2010-01-01

    Pilot studies were undertaken to quantify the total activity of radon that is eluted following no-flow periods from several Ra-226 adsorbents loaded to near exhaustion. The adsorbents studied included two types of barium sulphate impregnated alumina (ABA-8000 and F-1) and Dowex MSC-1 resin treated by either barium hydroxide or barium chloride. In parallel, radium loaded plain activated aluminas and Dowex MSC-1 resin were similarly investigated. The results revealed that radon was quantitatively eluted during the first few bed volumes of column operation after no-flow periods. Although similar radon elution profiles were obtained, the position of the radon peak was found to vary and depended on the adsorbent type. Radon levels up to 24 and 14 kBq dm(-3) were measured after a rest period of 72h from radium exhausted Dowex MSC-1 treated with barium chloride and F-1 impregnated alumina with barium sulphate, respectively. The eluted radon values measured experimentally were compared to those calculated theoretically from accumulated radium quantities for the different media. For plain adsorbents, an agreement better than 10% was obtained. For treated resin-types a consistency within 30% but for impregnated alumina-types high discrepancy between respective values were obtained.

  11. Chemical Physics Electrons and Excitations

    CERN Document Server

    Larsson, Sven

    2012-01-01

    A full understanding of modern chemistry is impossible without quantum theory. Since the advent of quantum mechanics in 1925, a number of chemical phenomena have been explained, such as electron transfer, excitation energy transfer, and other phenomena in photochemistry and photo-physics. Chemical bonds can now be accurately calculated with the help of a personal computer. Addressing students of theoretical and quantum chemistry and their counterparts in physics, Chemical Physics: Electrons and Excitations introduces chemical physics as a gateway to fields such as photo physics, solid-state ph

  12. Nitric oxide adsorbed on zeolites: EPR studies.

    Science.gov (United States)

    Yahiro, Hidenori; Lund, Anders; Shiotani, Masaru

    2004-05-01

    CW-EPR studies of NO adsorbed on sodium ion-exchanged zeolites were focused on the geometrical structure of NO monoradical and (NO)2 biradical formed on zeolites. The EPR spectrum of NO monoradical adsorbed on zeolite can be characterized by the three different g-tensor components and the resolved y-component hyperfine coupling with the 14N nucleus. Among the g-tensor components, the value of g(zz) is very sensitive to the local environment of zeolite and becomes a measure of the electrostatic field in zeolite. The temperature dependence of the g-tensor demonstrated the presence of two states of the Na-NO adduct, in rigid and rotational states. The EPR spectra of NO adsorbed on alkaline metal ion-exchanged zeolite and their temperature dependency are essentially the same as that on sodium ion-exchanged zeolite. On the other hand, for NO adsorbed on copper ion-exchanged zeolite it is known that the magnetic interaction between NO molecule and paramagnetic copper ion are observable in the spectra recorded at low temperature. The signals assigned to (NO)2 biradical were detected for EPR spectrum of NO adsorbed on Na-LTA. CW-EPR spectra as well as their theoretical calculation suggested that the two NO molecules are aligned along their N-O bond axes. A new procedure for automatical EPR simulation is described which makes it possible to analyze EPR spectrum easily. In the last part of this paper, some instances when other nitrogen oxides were used as a probe molecule to characterize the zeolite structure, chemical properties of zeolites, and dynamics of small molecules were described on the basis of selected literature data reported recently.

  13. Production of vibrationally excited hydrogen molecules by atom recombination on Cu and W materials.

    Science.gov (United States)

    Markelj, Sabina; Čadež, Iztok

    2011-03-28

    We have measured vibrational population of H(2) and D(2) molecules produced by atom (H or D) recombination on tungsten and copper material. The vibrational spectroscopy, based on the properties of dissociative electron attachment to hydrogen molecule, was used. The vibrationally excited molecules were produced by atom recombination in a cell where the studied sample is exposed to hydrogen atoms, from hot tungsten filament. Vibrational populations were obtained for the studied materials, which can be well described by the Boltzmann distribution, with specific vibrational temperatures for each material. The experimentally obtained vibrational populations for copper approximately agree with the theoretical predictions, whereas the experimentally obtained vibrational temperature for tungsten is higher and thus showing a considerable overpopulation of highly excited vibrational states than predicted. We propose that the origin of this higher excitation is related to the existence of high hydrogen surface coverage on tungsten, where hydrogen is occupying binding sites with different desorption energies. In order to obtain an insight into the recombination mechanism with more than one binding site per unit cell, a Monte Carlo simulation was performed, where it was assumed that the main production of molecules proceeds through the hot-atom recombination with an adsorbed atom. The results show that the recombination proceeds mainly through the weak binding sites, once they are occupied.

  14. 星形胶质细胞引起神经元超激发的作用机制分析%An Analysis on The Mechanism of Astrocytes Cause Neuronal Hyper-Excitability

    Institute of Scientific and Technical Information of China (English)

    刘建; 杨利建; 刘望恒; 贾亚

    2011-01-01

    It is found in experiments that glial cells have a variety of neuro-transmitter receptors on their membrane. Gilial cells can integrate synaptic information and are related to multi- neuron diseases. Based on the existing theoretical work, we investigate the coupling mechanism of astrocytes and neurons by theoretical and numerical method. By stimulating the astrocytes, we got the hyper-excitable state of the neuron, and hyper-excitability is an important feature of epilepsy. Then we analyze the effects of coupling strength on the system, and frnd that the coupling strength is the key factor leading the neuronal hyper-excitable. These results may give some suggestions when people try to find out the physiological mechanism of epilepsy.%实验发现,星形胶质细胞表面膜上有多种神经递质受体,能积极参与脑内的信号传导,并与多种神经性疾病相关.在锥体神经元和星形胶质细胞的耦合网络中,星形胶质细胞能接受外部刺激.本文研究了在神经元和胶质细胞耦合系统中,将谷氨酸刺激加载在星形胶质细胞上的情况,发现神经元出现超激发现象,而神经元超激发是癫痫疾病的一个重要特征之一;并分析了耦合强度对该系统的影响,发现耦合强度是引起神经元超激发的关键因素.这些结果对人们认识癫痫发生的生理机制具有一定的启发作用.

  15. CINE: Comet INfrared Excitation

    Science.gov (United States)

    de Val-Borro, Miguel; Cordiner, Martin A.; Milam, Stefanie N.; Charnley, Steven B.

    2017-08-01

    CINE calculates infrared pumping efficiencies that can be applied to the most common molecules found in cometary comae such as water, hydrogen cyanide or methanol. One of the main mechanisms for molecular excitation in comets is the fluorescence by the solar radiation followed by radiative decay to the ground vibrational state. This command-line tool calculates the effective pumping rates for rotational levels in the ground vibrational state scaled by the heliocentric distance of the comet. Fluorescence coefficients are useful for modeling rotational emission lines observed in cometary spectra at sub-millimeter wavelengths. Combined with computational methods to solve the radiative transfer equations based, e.g., on the Monte Carlo algorithm, this model can retrieve production rates and rotational temperatures from the observed emission spectrum.

  16. Portable vibration exciter

    Science.gov (United States)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  17. 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

    Using density functional theory we study the effect of pre-adsorbed atoms on the dissociation of N(2) and the adsorption of N, N(2), and CO on Ru(0001). We have done calculations for pre-adsorbed Na, Cs, and S, and find that alkali atoms adsorbed close to a dissociating N(2) molecule will lower...... 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...

  18. X-Ray photoelectron spectroscopic investigation of phenosafranine adsorbed onto micro and mesoporous materials

    Indian Academy of Sciences (India)

    S Easwaramoorthi; K Ananthanarayanan; B Sreedhar; P Natarajan

    2009-09-01

    The phenosafranine adsorbed onto the micro and mesoporous materials prepared by ion exchange method and interaction of the dye with host materials were studied by X-ray photoelectron spectroscopy to elucidate the influence of the host matrix on the binding energy of N 1s orbital. Core level N 1s X-ray photoelectron spectroscopy reveals the interaction between the dye and the solid surface through the hydrogen bonding between the hydrogen atoms of primary amino groups in dye molecule and the oxygen atom of surface hydroxyl groups. The strength of the hydrogen bonding depends on the nature of the solid surface. In the dye adsorbed onto the micro and mesoporous materials the interaction between adsorbed phenosafranine and the surfaces of the porous materials are found to modify the optical spectra and the excited state dynamics of the confined phenosafranine molecules. The change in photophysical properties of phenosafranine adsorbed on to the host materials on dehydration at elevated temperatures is attributed to the modification of host surface during dehydration process.

  19. Wide-band excited Y6(WMo)(0.5)O12:Eu red phosphor for white light emitting diode: structure evolution, photoluminescence properties, and energy transfer mechanisms involved.

    Science.gov (United States)

    Li, Huaiyong; Noh, Hyeon Mi; Moon, Byung Kee; Choi, Byung Chun; Jeong, Jung Hyun; Jang, Kiwan; Lee, Ho Sueb; Yi, Soung Soo

    2013-10-07

    Y6(WMo)(0.5)O12 activated with Eu(3+) ions was investigated as a red-emitting conversion phosphor for white light emitting diodes (WLEDs). The phosphors were synthesized by calcining a citrate-complexation precursor at different temperatures. The photoluminescence properties of the phosphors and the energy transfer mechanisms involved were studied as a function of structure evolution. It was found that the host lattices were crystallized in a cubic or a hexagonal phase depending on the synthesis conditions. Although all the phosphors showed intensive red emission under an excitation of near-UV or blue light due to energy transfer from the host lattices to Eu(3+) ions, the photoluminescence spectra and temporal decay features were found to vary significantly with the structure and crystallinity of the host lattice. The mechanisms of the energy transfer from the host lattices to Eu(3+) ions and energy quenching among Eu(3+) ions were discussed on the basis of structure evolution of the host lattice. Phosphors calcined at 800 and 1300 °C were suggested to be promising candidates for blue and near-UV light excited WLEDs, respectively.

  20. Chiral modification of platinum by co-adsorbed cinchonidine and trifluoroacetic acid: origin of enhanced stereocontrol in the hydrogenation of trifluoroacetophenone.

    Science.gov (United States)

    Meemken, Fabian; Baiker, Alfons; Schenker, Sebastian; Hungerbühler, Konrad

    2014-01-27

    Cinchonidine (CD) adsorbed onto a platinum metal catalyst leads to rate acceleration and induces strong stereocontrol in the asymmetric hydrogenation of trifluoroacetophenone. Addition of catalytic amounts of trifluoroacetic acid (TFA) significantly enhances the enantiomeric excess from 50 to 92%. The origin of the enantioselectivity bestowed by co-adsorbed CD and TFA is investigated by using in situ attenuated total reflection infrared spectroscopy and modulation excitation spectroscopy. Molecular interactions between the chiral modifier (CD), acid additive (TFA) and the trifluoro-activated substrate at the solid-liquid interface are elucidated under conditions relevant to catalytic hydrogenations, that is, on a technical Pt/Al2O3 catalyst in the presence of H2 and solvent. Monitoring of the unmodified and modified surface during the hydrogenation provides an insight into the phenomenon of rate enhancement and the crucial interactions of CD with the ketone, corresponding product alcohol, and TFA. Comparison of the diastereomeric interactions occurring on the modified surface and in the liquid solution shows a striking difference for the chiral preferences of CD. The spectroscopic data, in combination with calculations of molecular structures and energies, sheds light on the reaction mechanism of the heterogeneous asymmetric hydrogenation of trifluoromethyl ketones and the involvement of TFA in the diastereomeric intermediate surface complex: the quinuclidine N atom of the adsorbed CD forms an N-H-O-type hydrogen-bonding interaction not only with the trifluoro-activated ketone but also with the corresponding alcohol and the acid additive. Strong evidence is provided that it is a monodentate acid/base adduct in which the carboxylate of TFA resides at the quinuclidine N-atom of CD, which imparts a better stereochemical control.

  1. 人行激励荷载作用机理的试验研究%Test Research on Mechanism of Pedestrian Excitation Loads

    Institute of Scientific and Technical Information of China (English)

    高海涛; 徐培蓁; 王中山

    2011-01-01

    The bridge vibration excited by the pedestrian load might induce the problem of the bridge comfort.This paper establishes the continuous walking excitation load curve for footbridge vibration response analysis by means of the identification of the single-step load curve,which is important for the research on the problem of comfort of the footbridge vibration.It also uses the multi-dimensional force platform data acquisition and analysis system to conduct the loading data collection during the pedestrian's walking,identifies six kinds of load curve by using the key point load value polynomial interpolation method,compares different kinds of single-step load curve,and finally establishes the specific function equation between the load peak and walking frequency and presents the corresponding fitting curve.%人行激励荷载引发的结构振动可能导致结构使用舒适性问题.利用识别的单步荷载落足曲线建立连续步行激励荷载时程曲线用于人行桥人致振动响应分析过程中,对于人行桥人致振动使用舒适性问题研究具有重要意义.利用多维测力台数据采集和分析系统进行行人步行过程中荷载数据采集工作,然后通过关键点荷载值多项式插值方式识别出六类人行荷载模式的落足曲线,对比了各种荷载模式下的单步落足曲线,最后建立了人行荷载峰值与步频间的具体函数关系式,给出了相应的拟合曲线.

  2. Single stage batch adsorber design for efficient Eosin yellow removal by polyaniline coated ligno-cellulose.

    Science.gov (United States)

    Debnath, Sushanta; Ballav, Niladri; Maity, Arjun; Pillay, Kriveshini

    2015-01-01

    Polyaniline-coated lignin-based adsorbent (PLC) was synthesized and used for uptake of reactive dye eosin yellow (EY) from aqueous solution. The adsorption capability of the adsorbent was found to be more effective than the unmodified adsorbent (LC). In particular, the adsorption capability of the PLC was effective over a wider pH range. This could be owing to its higher point of zero charge, which is more favorable for the uptake of the anionic dye. Adsorption isotherm models suggested a monolayer adsorption was predominant. The mean free energy of adsorption (E(DR)) was found to have values between 8 and 16 kJ mol(-1) which suggests that an electrostatic mechanism of adsorption predominated over other underlying mechanisms. The adsorption process was also found to be spontaneous, with increasing negative free energy values observed at higher temperatures. Chemisorption process was supported by the changes in enthalpy above 40 kJ mol(-1) and by the results of desorption studies. This new adsorbent was also reusable and regenerable over four successive adsorption-desorption cycles. The single stage adsorber design revealed that PLC can be applicable as an effective biosorbent for the treatment of industrial effluents containing EY dye.

  3. Synthesis of novel aminated cellulose microsphere adsorbent for efficient Cr(VI) removal

    Science.gov (United States)

    Yu, Tianlin; Liu, Siqi; Xu, Min; Peng, Jing; Li, Jiuqiang; Zhai, Maolin

    2016-08-01

    A novel aminated cellulose microsphere adsorbent (CVN) was successfully prepared by radiation-induced graft polymerization of vinylbenzyl chloride (VBC) onto cellulose microsphere (CMS), followed by amination. Micro-FTIR, XPS and SEM confirmed the structure of CVN. The adsorption behavior of Cr(VI) onto CVN from solution was well fitted by the pseudo-second order kinetic model. The isothermal adsorption of Cr(VI) was observed at pH 4.68 with adsorption capacity of 129 mg/g in accordance with Langmuir thermal model, and the removal of Cr(VI) from solution could be 91% at a low amount (20 mg) of adsorbent. The best pH for adsorption of Cr(VI) was nearly 3.08, and with the increasing of temperature, the adsorption capacity of Cr(VI) increased. XPS analysis confirmed the adsorption mechanism of Cr(VI) was ion-exchange mechanism, while common co-ions such as Na+, Mg2+, Cu2+, Ca2+, Zn2+, Ni2+, Cl-, NO3- has no significant effect on the adsorption capacity of Cr(VI), and the Cr(VI) removal of 80% still could be obtained compared with that of fresh CVN adsorbent. Finally, spent CVN could be regenerated under 2 mol/L NaCl. The work indicated that aminated cellulose adsorbent could be prepared successfully by radiation-induced grafting and amination and CVN is a promising bio-adsorbent in the removing Cr(VI) from waste water.

  4. Chemical production of excited states in biology: mechanism, regulation and function. Renewal proposal and tri-annual summary report, July 1, 1974--June 30, 1977

    Energy Technology Data Exchange (ETDEWEB)

    Seliger, H H

    1977-01-01

    Progress is reported on studies of molecular mechanisms involved in bioluminescent reactions in fireflies, in purified calcium-activated photoproteins from marine microorganisms, and in marine dinoflagellates. The role of luciferase binding protein mechanisms in photon-stimulated bioluminescence is discussed. The use of chemiluminescence as an assay technique for nicotine in tobacco smoke and carcinogenic hydrocarbons in environmental samples is proposed and the requirements for such an assay system are reviewed.

  5. Bright blue-shifted fluorescent proteins with Cys in the GAF domain engineered from bacterial phytochromes: fluorescence mechanisms and excited-state dynamics

    Science.gov (United States)

    Hontani, Yusaku; Shcherbakova, Daria M.; Baloban, Mikhail; Zhu, Jingyi; Verkhusha, Vladislav V.; Kennis, John T. M.

    2016-11-01

    Near-infrared fluorescent proteins (NIR FPs) engineered from bacterial phytochromes (BphPs) are of great interest for in vivo imaging. They utilize biliverdin (BV) as a chromophore, which is a heme degradation product, and therefore they are straightforward to use in mammalian tissues. Here, we report on fluorescence properties of NIR FPs with key alterations in their BV binding sites. BphP1-FP, iRFP670 and iRFP682 have Cys residues in both PAS and GAF domains, rather than in the PAS domain alone as in wild-type BphPs. We found that NIR FP variants with Cys in the GAF or with Cys in both PAS and GAF show blue-shifted emission with long fluorescence lifetimes. In contrast, mutants with Cys in the PAS only or no Cys residues at all exhibit red-shifted emission with shorter lifetimes. Combining these results with previous biochemical and BphP1-FP structural data, we conclude that BV adducts bound to Cys in the GAF are the origin of bright blue-shifted fluorescence. We propose that the long fluorescence lifetime follows from (i) a sterically more constrained thioether linkage, leaving less mobility for ring A than in canonical BphPs, and (ii) that π-electron conjugation does not extend on ring A, making excited-state deactivation less sensitive to ring A mobility.

  6. Acupuncture Relieves the Excessive Excitation of Hypothalamic-Pituitary-Adrenal Cortex Axis Function and Correlates with the Regulatory Mechanism of GR, CRH, and ACTHR

    Directory of Open Access Journals (Sweden)

    Shao-Jun Wang

    2014-01-01

    Full Text Available It had been indicated in the previous studies that acupuncture relieved the excessive excitation of hypothalamic-pituitary-adrenal cortex axis (HPAA function induced by stress stimulation. But the changes in glucocorticoid receptor (GR induced by acupuncture have not been detected clearly. The objective of the study was to observe the impacts of acupuncture on the protein expressions of corticotrophin releasing hormone (CRH, adrenocorticotropic hormone receptor (ACTHR, and GR under the physiological and stress states. The results showed that under the stress state, acupuncture upregulated the protein expression of GR in the hippocampus, hypothalamic paraventricular nucleus (PVN, and pituitary gland, downregulated the protein expression of GR in the adrenal cortex, and obviously reduced the protein expressions of CRH and ACTHR. Under the physiological state, acupuncture promoted GR protein expression in the hippocampus and CRH protein expression in the hippocampus and PVN. The results explained that acupuncture regulated the stress reaction via promoting the combination of glucocorticoids (GC with GR, and GR protein expression. The increase of GR protein expression induced feedback inhibition on the overexpression of CRH and ACTHR, likely decreased GC level, and caused the reduction of GR protein expression in the adrenal cortex.

  7. Acupuncture Relieves the Excessive Excitation of Hypothalamic-Pituitary-Adrenal Cortex Axis Function and Correlates with the Regulatory Mechanism of GR, CRH, and ACTHR

    Science.gov (United States)

    Wang, Shao-Jun; Zhang, Jiao-Jiao; Qie, Li-Li

    2014-01-01

    It had been indicated in the previous studies that acupuncture relieved the excessive excitation of hypothalamic-pituitary-adrenal cortex axis (HPAA) function induced by stress stimulation. But the changes in glucocorticoid receptor (GR) induced by acupuncture have not been detected clearly. The objective of the study was to observe the impacts of acupuncture on the protein expressions of corticotrophin releasing hormone (CRH), adrenocorticotropic hormone receptor (ACTHR), and GR under the physiological and stress states. The results showed that under the stress state, acupuncture upregulated the protein expression of GR in the hippocampus, hypothalamic paraventricular nucleus (PVN), and pituitary gland, downregulated the protein expression of GR in the adrenal cortex, and obviously reduced the protein expressions of CRH and ACTHR. Under the physiological state, acupuncture promoted GR protein expression in the hippocampus and CRH protein expression in the hippocampus and PVN. The results explained that acupuncture regulated the stress reaction via promoting the combination of glucocorticoids (GC) with GR, and GR protein expression. The increase of GR protein expression induced feedback inhibition on the overexpression of CRH and ACTHR, likely decreased GC level, and caused the reduction of GR protein expression in the adrenal cortex. PMID:24761151

  8. Nuclear excitations and reaction mechanisms. Report of progress, February 1, 1975--October 31, 1975. [Summaries of research activities at Brown Univ

    Energy Technology Data Exchange (ETDEWEB)

    1975-11-01

    Progress in the following areas of research is reported: Energies of giant isoscalar monopole and quadrupole excitations, energy-weighted sum rules, the random-phase approximation, Hartree-Fock calculations, spreading widths, physical consequences of the locality of current-density commutators and current-current sum rules. Electron-hydrogen scattering using the inhomogenous equation method; variational calculation of e/sup -/ + H scattering using the symmetrized channel coupling array equation; K operators and unitary approximations for the 3-body problem; approximate calculation of model (d-p) and (dd) amplitudes and cross sections; multi-step processes in direct reactions; bound state calculations using the channel coupling array theory. Methods for determining nuclear charge distributions, relativistic effects in nuclei, dispersion corrections and recoil corrections to elastic electron scattering; unitarity of elastic scattering amplitudes; low energy theorems for two-photon processes; pion-exchange contributions to the charge density; recoil effects and energy-dependent Hamiltonians; pion-exchange contributions to two-photon processes; hypervirial theorems for the Dirac equation; Coulomb energies of nuclei. Pion-nucleus scattering, diagonalization of the ..delta..-(nucleon-hole) configurations, doorway states and doorway dominance, calculations for /sup 4/He, discussion of experimental results.

  9. Acupuncture Relieves the Excessive Excitation of Hypothalamic-Pituitary-Adrenal Cortex Axis Function and Correlates with the Regulatory Mechanism of GR, CRH, and ACTHR.

    Science.gov (United States)

    Wang, Shao-Jun; Zhang, Jiao-Jiao; Qie, Li-Li

    2014-01-01

    It had been indicated in the previous studies that acupuncture relieved the excessive excitation of hypothalamic-pituitary-adrenal cortex axis (HPAA) function induced by stress stimulation. But the changes in glucocorticoid receptor (GR) induced by acupuncture have not been detected clearly. The objective of the study was to observe the impacts of acupuncture on the protein expressions of corticotrophin releasing hormone (CRH), adrenocorticotropic hormone receptor (ACTHR), and GR under the physiological and stress states. The results showed that under the stress state, acupuncture upregulated the protein expression of GR in the hippocampus, hypothalamic paraventricular nucleus (PVN), and pituitary gland, downregulated the protein expression of GR in the adrenal cortex, and obviously reduced the protein expressions of CRH and ACTHR. Under the physiological state, acupuncture promoted GR protein expression in the hippocampus and CRH protein expression in the hippocampus and PVN. The results explained that acupuncture regulated the stress reaction via promoting the combination of glucocorticoids (GC) with GR, and GR protein expression. The increase of GR protein expression induced feedback inhibition on the overexpression of CRH and ACTHR, likely decreased GC level, and caused the reduction of GR protein expression in the adrenal cortex.

  10. 东方栓孔菌菌丝体生物吸附剂对染料的脱色作用及其吸附机制研究%Dye decolorization by adsorbents obtained from Trametes orientalis mycelia and investigation of the adsorptive mechanism

    Institute of Scientific and Technical Information of China (English)

    司静; 崔宝凯; 李牧洁

    2012-01-01

    利用东方栓孔菌Trametes orientalis菌丝体制得的生物吸附剂,对刚果红、结晶紫、铬天青、亚甲基蓝和中性红5种染料进行了脱色试验,对脱色效果较好的染料进行了影响因子优化,并通过红外光谱分析、化学修饰等方法研究其吸附作用的机制.结果显示:东方栓孔菌菌丝体生物吸附剂对结晶紫有相对较好的脱色效果;在优化的影响因子中,0%-3.0%(m/v)浓度范围内,盐度对染料脱色有促进作用;表面活性剂促使脱色率增加,吐温60浓度为1.5% (v/v)时脱色率可达83.84%;温度为43℃、初始pH为3.0、振荡培养10d后吸附率最高达91.54%.红外光谱分析及化学修饰结果表明菌丝体对染料的吸附作用主要是由它们之间的静电作用力所致.%The decolorization of five different dyes (chromazurine, Congo red, crystal violet, methylene blue and neutral red) by the adsorbents obtained from Trametes orientalis mycelia in submerged fermentation was investigated. The optimal conditions and adsorption mechanism were investigated by single-factor experiments, fourier transform infrared spectroscopy (FTIR) analysis and chemical modifications. The results demonstrated that the bioadsorbents had preferable decolorization capacity on crystal violet. In a range of 0%-3.0% (m/V), salinity had increased effect on dye decolorization. The decolonization capacity was enhanced and up to 83.84% by surfactant Tween 60 with a concentration at 1.5% (V/V). After 10d, the adsorption rate was up to 91.54% at 43℃ and initial pH3.0 in shaking cultivation. The FTIR analysis and chemical modifications suggested that the biosorption was caused by electrostatic attraction between dye molecules and adsorbents.

  11. Multi-frequency excitation

    KAUST Repository

    Younis, Mohammad I.

    2016-03-10

    Embodiments of multi-frequency excitation are described. In various embodiments, a natural frequency of a device may be determined. In turn, a first voltage amplitude and first fixed frequency of a first source of excitation can be selected for the device based on the natural frequency. Additionally, a second voltage amplitude of a second source of excitation can be selected for the device, and the first and second sources of excitation can be applied to the device. After applying the first and second sources of excitation, a frequency of the second source of excitation can be swept. Using the methods of multi- frequency excitation described herein, new operating frequencies, operating frequency ranges, resonance frequencies, resonance frequency ranges, and/or resonance responses can be achieved for devices and systems.

  12. Investigation of Nanoscale Interactions by Means of Subharmonic Excitation.

    Science.gov (United States)

    Chiesa, Matteo; Gadelrab, Karim; Stefancich, Marco; Armstrong, Peter; Li, Guang; Souier, Tewfik; Thomson, Neil H; Barcons, Victor; Font, Josep; Verdaguer, Albert; Phillips, Michael A; Santos, Sergio

    2012-08-16

    Multifrequency atomic force microscopy holds promise as a method to provide qualitative and quantitative information about samples with high spatial resolution. Here, we provide experimental evidence of the excitation of subharmonics in ambient conditions in the regions where capillary interactions are predicted to be the mechanism of excitation. We also experimentally decouple a second mechanism for subharmonic excitation that is highly independent of environmental conditions such as relative humidity. This implies that material properties could be mapped. Subharmonic excitation could lead to experimental determination of surface water affinity in the nanoscale whenever water interactions are the mechanism of excitation.

  13. 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.

  14. 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.

  15. Development of high efficiency silica coated β-cyclodextrin polymeric adsorbent for the removal of emerging contaminants of concern from water.

    Science.gov (United States)

    Bhattarai, Bikash; Muruganandham, M; Suri, Rominder P S

    2014-05-30

    This article reports the removal of several emerging contaminants (ECs) from water using novel adsorbent comprising of β-cyclodextrin (β-CD) coated on silica. Fourteen different adsorbents were synthesized under different experimental conditions using two different crosslinking agents (hexamethylene diisocyanate (HMDI) and epichlorohydrin (EPI)) and co-polymers (glycidoxypropyl trimethoxysilane (GPTS) and aminopropyl triethoxysilane (APTES). The adsorption capacities of the synthesized adsorbents were initially evaluated using 17β-estradiol, perfluorooctanoic acid (PFOA), and bisphenol-A (BPA) as adsorbates. The adsorbent prepared by using HMDI as crosslinking agent with DMSO as solvent was observed to perform the best, and removed more than 90% of 17β-estradiol, PFOA, and BPA. Furthermore, the β-CD loading on the ECs removal was studied which showed that the adsorbate removal increases with increase in loading of β-CD on the substrate. The best adsorbent was resynthesized in seven batches and its performance was reproducible for the removal of ten steroid hormones. The adsorbent showed very good regeneration potential for four successive adsorption-regeneration cycles to remove steroid hormones and PFOA. A plausible mechanism of adsorption is proposed. The synthesized best adsorbent is characterized using FTIR, HR-TEM, TGA and nitrogen adsorption analysis. The TGA results showed that the adsorbent has thermal stability of upto 300°C. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Fluorescence of dyes adsorbed on highly organized nanostructured gold surfaces

    NARCIS (Netherlands)

    Levi, Stefano A.; Mourran, Ahmed; Spatz, Joachim P.; Veggel, van Frank C.J.M.; Reinhoudt, David N.; Möller, M.

    2002-01-01

    It is shown that fluorescent dyes can be adsorbed selectively on gold nanoparticles which are immobilized on a glass substrate and that the fluorescence originating from the adsorbed dyes exhibits significantly less quenching when compared to dyes adsorbed on bulk gold. Self-assembled monolayers of

  17. 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

  18. 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.

  19. Behavior of macromolecules in adsorbed layers

    Institute of Scientific and Technical Information of China (English)

    牟伯中[1; 姚恒申[2; 罗平亚[3

    2000-01-01

    A model for describing the behavior ot macromoiecuies in aosoroea layers is developed by introducing a concept of distribution density of layer thickness U based on stochastic process and probabilistic statistics. The molecular behavior of layers adsorbed on clay particle surfaces is discussed; the random distribution and its statistics of the layer thickness are given by incorporating experimental results with an ionic polyelectrolyte with the molecular weight of 1.08×106and chain charged density of 0.254.

  20. Room-temperature atomic layer deposition of ZrO2 using tetrakis(ethylmethylamino)zirconium and plasma-excited humidified argon

    Science.gov (United States)

    Kanomata, K.; Tokoro, K.; Imai, T.; Pansila, P.; Miura, M.; Ahmmad, B.; Kubota, S.; Hirahara, K.; Hirose, F.

    2016-11-01

    Room-temperature atomic layer deposition (ALD) of ZrO2 is developed with tetrakis(ethylmethylamino)zirconium (TEMAZ) and a plasma-excited humidified argon. A growth per cycle of 0.17 nm/cycle at room temperature is confirmed, and the TEMAZ adsorption and its oxidization on ZrO2 are characterized by IR absorption spectroscopy with a multiple internal reflection mode. TEMAZ is saturated on a ZrO2 surface with exposures exceeding ∼2.0 × 105 Langmuir (1 Langmuir = 1.0 × 10-6 Torr s) at room temperature, and the plasma-excited humidified argon is effective in oxidizing the TEMAZ-adsorbed ZrO2 surface. The IR absorption spectroscopy suggests that Zr-OH works as an adsorption site for TEMAZ. The reaction mechanism of room-temperature ZrO2 ALD is discussed in this paper.

  1. Effective Thermal Conductivity of Adsorbent Packed Beds

    Science.gov (United States)

    Mori, Hideo; Hamamoto, Yoshinori; Yoshida, Suguru

    The effective thermal conductivity of adsorbent packed beds of granular zeolite 13X and granular silica gel A in the presence of stagnant steam or air was measured under different conditions of the adsorbent bed temperature, particle size and filler-gas pressure. The measured effective thermal conductivity showed to become smaller with decreasing particle size or decreasing pressure, but it was nearly independent of the bed temperature. When steam was the filler-gas, the rise in the thermal conductivity of the adsorbent particles due to steam adsorption led to the increase in the effective thermal conductivity of the bed, and this effect was not negligible at high steam pressure for the bed of large particle size. It was found that both the predictions of the effective thermal conductivity by the Hayashi et al.'s model and the Bauer-Schlünder model generally agreed well with the measurements, by considering the particle thermal conductivity rise due to steam adsorption. The thermal conductivity of a consolidated bed of granular zeolite 13X was also measured, and it was found to be much larger than that of the packed bed especially at lower pressure. The above prediction models underestimated the effective thermal conductivity of the consolidated bed.

  2. Remediation of AMD using industrial waste adsorbents

    Science.gov (United States)

    Mohammed, Nuur Hani Bte; Yaacob, Wan Zuhairi Wan

    2016-11-01

    The study investigates the characteristic of industrial waste as adsorbents and its potential as heavy metals absorbents in AMD samples. The AMD sample was collected from active mine pond and the pH was measured in situ. The metal contents were analyzed by ICP-MS. The AMD water was very acidic (pH< 3.5), and the average heavy metals content in AMD were high especially in Fe (822.029 mg/l). Fly ash was found to be the most effective absorbent material containing high percentage of CaO (57.24%) and SiO2 (13.88%), followed by ladle furnace slag containing of high amount of CaO (51.52%) and Al2O3 (21.23%), while biomass ash consists of SiO2 (43.07%) and CaO (12.97%). Tank analysis display a huge changes due to pH value change from acidity to nearly neutral phases. After 50 days, fly ash remediation successfully increase the AMD pH values from pH 2.57-7.09, while slag change from acidity to nearly alkaline phase from pH 2.60-7.3 and biomass has change to pH 2.54-6.8. Fly ash has successfully remove Fe, Mn, Cu, and Ni. Meanwhile, slag sample displays as an effective adsorbent to adsorb more Pb and Cd in acid mine drainage.

  3. Promotion of CO oxidation on PdO(101) by adsorbed H2O

    Science.gov (United States)

    Choi, Juhee; Pan, Li; Mehar, Vikram; Zhang, Feng; Asthagiri, Aravind; Weaver, Jason F.

    2016-08-01

    We investigated the influence of adsorbed H2O on the oxidation of CO on PdO(101) using temperature programmed reaction spectroscopy (TPRS), reflection absorption infrared spectroscopy (RAIRS) and density functional theory (DFT) calculations. We find that water inhibits CO adsorption on PdO(101) by site blocking, but also provides a more facile pathway for CO oxidation compared with the bare oxide surface. In the presence of adsorbed H2O, the oxidation of CO on PdO(101) produces a CO2 TPRS peak that is centered at a temperature 50 K lower than the main CO2 TPRS peak arising from CO oxidation on clean PdO(101) ( 330 vs. 380 K). RAIRS shows that CO continues to adsorb on atop-Pd sites of PdO(101) when H2O is co-adsorbed, and provides no evidence of other reactive intermediates. DFT calculations predict that the CO oxidation mechanism follows the same steps for CO adsorbed on PdO(101) with and without co-adsorbed H2O, wherein an atop-CO species recombines with an oxygen atom from the oxide surface lattice. According to DFT, hydrogen bonding interactions with adsorbed H2O species stabilize the carboxyl-like transition structure and intermediate that result from the initial recombination of CO and O on the PdO(101) surface. This stabilization lowers the energy barrier for CO oxidation on PdO(101) by 10 kJ/mol, in good agreement with our experimental estimate.

  4. Adsorption and oxidation of formaldehyde on a polycrystalline Pt film electrode: An in situ IR spectroscopy search for adsorbed reaction intermediates.

    Science.gov (United States)

    Jusys, Zenonas; Behm, R Jürgen

    2014-01-01

    As part of a mechanistic study of the electrooxidation of C1 molecules we have systematically investigated the dissociative adsorption/oxidation of formaldehyde on a polycrystalline Pt film electrode under experimental conditions optimizing the chance for detecting weakly adsorbed reaction intermediates. Employing in situ IR spectroscopy in an attenuated total reflection configuration (ATR-FTIRS) with p-polarized IR radiation to further improve the signal-to-noise ratio, and using low reaction temperatures (3 °C) and deuterium substitution to slow down the reaction kinetics and to stabilize weakly adsorbed reaction intermediates, we could detect an IR absorption band at 1660 cm(-1) characteristic for adsorbed formyl intermediates. This assignment is supported by an isotope shift in wave number. Effects of temperature, potential and deuterium substitution on the formation and disappearance of different adsorbed species (COad, adsorbed formate, adsorbed formyl), are monitored and quantified. Consequences on the mechanism for dissociative adsorption and oxidation of formaldehyde are discussed.

  5. Adsorbate Electric Fields on a Cryogenic Atom Chip

    CERN Document Server

    Chan, K S; Hufnagel, C; Dumke, R

    2013-01-01

    We investigate the behaviour of electric fields originating from adsorbates deposited on a cryogenic atom chip as it is cooled from room temperature to cryogenic temperature. Using Rydberg electromagnetically induced transparency we measure the field strength versus distance from a 1 mm square of YBCO patterned onto a YSZ chip substrate. We find a localized and stable dipole field at room temperature and attribute it to a saturated layer of chemically adsorbed rubidium atoms on the YBCO. As the chip is cooled towards 83 K we observe a change in sign of the electric field as well as a transition from a localized to a delocalized dipole density. We relate these changes to the onset of physisorption on the chip surface when the van der Waals attraction overcomes the thermal desorption mechanisms. Our findings suggest that, through careful selection of substrate materials, it may be possible to reduce the electric fields caused by atomic adsorption on chips, opening up experiments to controlled Rydberg-surface co...

  6. Ceramics adsorbing virus and cells. Uirusu, saibo bunri ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Hiraide, T. (Asahi Optical Co. Ltd., Tokyo (Japan))

    1993-07-01

    It has been reported that hydroxyapatite (HA), which is the main inorganic component of teeth and bones of homo sapiens and used for biomaterials such as artificial tooth roots, adsorbs viruses such as influenza viruses. In this article, the history of development up to now of HA and its adsorption mechanism of protein, virus, etc., are introduced. HA was applied for chromatography in 1956 becoming one of the separating and refining methods of protein and nucleic acid, then after the development of spherical porous HA, it has become applied for high speed liquid chromatography (HPLC). Also by means of a column filled with HA granules, T-cells have been able to be purified in a short time from lymphocyte which was separated from the blood of homo sapiens. Recently it has also been reported that HA granules can adsorb influenza viruses, Japanese encephalitis viruses, polio viruses and hepatitis B viruses, and a cold-preventative mask based upon this report is now on sale. 11 refs., 7 figs.

  7. Waste metal hydroxide sludge as adsorbent for a reactive dye.

    Science.gov (United States)

    Santos, Sílvia C R; Vílar, Vítor J P; Boaventura, Rui A R

    2008-05-30

    An industrial waste sludge mainly composed by metal hydroxides was used as a low-cost adsorbent for removing a reactive textile dye (Remazol Brilliant Blue) in solution. Characterization of this waste material included chemical composition, pH(ZPC) determination, particle size distribution, physical textural properties and metals mobility under different pH conditions. Dye adsorption equilibrium isotherms were determined at 25 and 35 degrees C and pH of 4, 7 and 10 revealing reasonably fits to Langmuir and Freundlich models. At 25 degrees C and pH 7, Langmuir fit indicates a maximum adsorption capacity of 91.0mg/g. An adsorptive ion-exchange mechanism was identified from desorption studies. Batch kinetic experiments were also conducted at different initial dye concentration, temperature, adsorbent dosage and pH. A pseudo-second-order model showed good agreement with experimental data. LDF approximation model was used to estimate homogeneous solid diffusion coefficients and the effective pore diffusivities. Additionally, a simulated real effluent containing the selected dye, salts and dyeing auxiliary chemicals, was also used in equilibrium and kinetic experiments and the adsorption performance was compared with aqueous dye solutions.

  8. Use of Low-cost Adsorbents to Chlorophenols and Organic Matter Removal of Petrochemical Wastewater

    Directory of Open Access Journals (Sweden)

    Aretha Moreira de Oliveira

    2013-11-01

    Full Text Available The removal of 2,4 diclorophenol (2,4-DCF and 2,4,6 trichlorophenol (2,4,6 TCF present in  petrochemical wastewater was evaluated using low-cost adsorbents, such as chitin, chitosan and coconut shells. Batch studies showed that the absorption efficiency for 2,4 DCF and 2,4,6 TCF follow the order: chitosan > chitin > coconut shells. Langmuir and Freundlich models have been applied to experimental isotherms data, to better understand the adsorption mechanisms. Petrochemical wastewater treatment with fixed bed column system using chitinous adsorbents showed a removal of COD (75% , TOG (90% and turbidity (74-89%.

  9. H+ClCN→HCl+CN: Product excitations and reaction mechanism at Ec.m. ≂21.6 kcal mol-1

    Science.gov (United States)

    de Juan, J.; Callister, S.; Reisler, H.; Segal, G. A.; Wittig, C.

    1988-08-01

    Nascent CN(X 2Σ) rovibrational and kinetic energy distributions have been obtained for the title reaction using laser induced fluorescence, and regions of the HClCN potential energy surface appropriate to the observed HCl+CN channel, as well as the HCN+Cl and HNC+Cl channels, have been calculated ab initio at the MP4/3-21G* level. The CN spectator has low internal excitation; the average fractions of the available energy deposited in CN vibration and rotation are ˜0 and =0.06, respectively, with the rotational distribution corresponding to a temperature of ˜950 K. Sub-Doppler resolution spectroscopy on several CN B 2Σ←X 2Σ transitions provides an average value for the fraction of the available energy appearing as center-of-mass kinetic energy, =0.33, as well as approximate kinetic energy distributions for specific CN V,R levels. Since the kinetic energy distributions are for specific CN levels, the corresponding HCl internal energy distributions are obtained by energy conservation, and the experimental results indicate a vibrational population inversion in HCl. Product energy disposal is similar to that of many ``light+heavy-heavy'' systems which exhibit repulsive energy release and which prefer end-on rather than broadside entrance channels. The dominant reaction pathways are probably HCN+Cl and HNC+Cl, with HCl+CN being minor. Because of the competitiveness between the chemically distinct product channels, the entrance channel associated with the observed products is more stereospecifically constrained than for a similar reaction which has a single set of products. The ab initio calculations suggest that end-on encounters can be reactive, thus accounting for the observed channel. A local minimum exists for a three-center structure involving hydrogen, chlorine, and carbon, and the barrier from here to HCN+Cl is small. Broadside approaches give rise to HCN+Cl, and we therefore surmise that the observed products derive predominantly from encounters in which

  10. A simple natural orbital mechanism of "pure" van der Waals interaction in the lowest excited triplet state of the hydrogen molecule.

    Science.gov (United States)

    Gritsenko, Oleg; Baerends, Evert Jan

    2006-02-07

    A treatment of van der Waals (vdW) interaction by density-matrix functional theory requires a description of this interaction in terms of natural orbitals (NOs) and their occupation numbers. From an analysis of the configuration-interaction (CI) wave function of the 3Sigmau + state of H2 and the exact NO expansion of the two-electron triplet wave function, we demonstrate that the construction of such a functional is straightforward in this case. A quantitative description of the vdW interaction is already obtained with, in addition to the standard part arising from the Hartree-Fock determinant /1sigmag(r1)1sigmau(r2)/, only two additional terms in the two-electron density, one from the first "excited" determinant /2sigmag(r1)2sigmau(r2)/ and one from the state of 3Sigmau + symmetry belonging to the (1pig)1(1piu)1 configuration. The potential-energy curve of the 3Sigmau + state calculated around the vdW minimum with the exact density-matrix functional employing only these eight NOs and NO occupations is in excellent agreement with the full CI one and reproduces well the benchmark potential curve of Kolos and Wolniewicz [J. Chem. Phys. 43, 2429 (1965)]. The corresponding terms in the two-electron density rho2(r1,r2), containing specific products of NOs combined with prefactors that depend on the occupation numbers, can be shown to produce exchange-correlation holes that correspond precisely to the well-known intuitive picture of the dispersion interaction as an instantaneous dipole-induced dipole (higher multipole) effect. Indeed, (induced) higher multipoles account for almost 50% of the total vdW bond energy. These results serve as a basis for both a density-matrix functional theory of van der Waals bonding and for the construction of orbital-dependent functionals in density-functional theory that could be used for this type of bonding.

  11. Prussian blue caged in spongiform adsorbents using diatomite and carbon nanotubes for elimination of cesium

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Baiyang [Graduate School of Environmental Science, Hokkaido University, Sapporo 060-0810 (Japan); Fugetsu, Bunshi, E-mail: hu@ees.hokudai.ac.jp [Graduate School of Environmental Science, Hokkaido University, Sapporo 060-0810 (Japan); Yu, Hongwen [Graduate School of Environmental Science, Hokkaido University, Sapporo 060-0810 (Japan); Abe, Yoshiteru [Kyoei Engineering Corporation, Niigata 959-1961 (Japan)

    2012-05-30

    Highlights: Black-Right-Pointing-Pointer Prussian blue was sealed in cavities of diatomite using carbon nanotubes. Black-Right-Pointing-Pointer The caged Prussian blue after being permanently immobilized in polyurethane spongy showed a 167 mg/g capability for absorbing cesium. Black-Right-Pointing-Pointer Cesium elimination was accomplished by simply adding the Prussian-blue based spongiform adsorbent to radioactive water. - Abstract: We developed a spongiform adsorbent that contains Prussian blue, which showed a high capacity for eliminating cesium. An in situ synthesizing approach was used to synthesize Prussian blue inside diatomite cavities. Highly dispersed carbon nanotubes (CNTs) were used to form CNT networks that coated the diatomite to seal in the Prussian blue particles. These ternary (CNT/diatomite/Prussian-blue) composites were mixed with polyurethane (PU) prepolymers to produce a quaternary (PU/CNT/diatomite/Prussian-blue), spongiform adsorbent with an in situ foaming procedure. Prussian blue was permanently immobilized in the cell walls of the spongiform matrix and preferentially adsorbed cesium with a theoretical capacity of 167 mg/g cesium. Cesium was absorbed primarily by an ion-exchange mechanism, and the absorption was accomplished by self-uptake of radioactive water by the quaternary spongiform adsorbent.

  12. Enhanced removal of nitrate from water using surface modification of adsorbents--a review.

    Science.gov (United States)

    Loganathan, Paripurnanda; Vigneswaran, Saravanamuthu; Kandasamy, Jaya

    2013-12-15

    Elevated concentration of nitrate results in eutrophication of natural water bodies affecting the aquatic environment and reduces the quality of drinking water. This in turn causes harm to people's health, especially that of infants and livestock. Adsorbents with the high capacity to selectively adsorb nitrate are required to effectively remove nitrate from water. Surface modifications of adsorbents have been reported to enhance their adsorption of nitrate. The major techniques of surface modification are: protonation, impregnation of metals and metal oxides, grafting of amine groups, organic compounds including surfactant coating of aluminosilicate minerals, and heat treatment. This paper reviews current information on these techniques, compares the enhanced nitrate adsorption capacities achieved by the modifications, and the mechanisms of adsorption, and presents advantages and drawbacks of the techniques. Most studies on this subject have been conducted in batch experiments. These studies need to include continuous mode column trials which have more relevance to real operating systems and pilot-plant trials. Reusability of adsorbents is important for economic reasons and practical treatment applications. However, only limited information is available on the regeneration of surface modified adsorbents.

  13. Enhancement of mass transfer by ultrasound: Application to adsorbent regeneration and food drying/dehydration.

    Science.gov (United States)

    Yao, Ye

    2016-07-01

    The physical mechanisms of heat and mass transfer enhancement by ultrasound have been identified by people. Basically, the effect of 'cavitation' induced by ultrasound is the main reason for the enhancement of heat and mass transfer in a liquid environment, and the acoustic streaming and vibration are the main reasons for that in a gaseous environment. The adsorbent regeneration and food drying/dehydration are typical heat and mass transfer process, and the intensification of the two processes by ultrasound is of complete feasibility. This paper makes an overview on recent studies regarding applications of power ultrasound to adsorbent regeneration and food drying/dehydration. The concerned adsorbents include desiccant materials (typically like silica gel) for air dehumidification and other ones (typically active carbon and polymeric resin) for water treatment. The applications of ultrasound in the regeneration of these adsorbents have been proved to be energy saving. The concerned foods are mostly fruits and vegetables. Although the ultrasonic treatment may cause food degradation or nutrient loss, it can greatly reduce the food processing time and decrease drying temperature. From the literature, it can be seen that the ultrasonic conditions (i.e., acoustic frequency and power levels) are always focused on during the study of ultrasonic applications. The increasing number of relevant studies argues that ultrasound is a very promising technology applied to the adsorbent regeneration and food drying/dehydration.

  14. Co-adsorbents: a key component in efficient and robust dye-sensitized solar cells.

    Science.gov (United States)

    Manthou, Victoria S; Pefkianakis, Eleftherios K; Falaras, Polycarpos; Vougioukalakis, Georgios C

    2015-02-01

    Since the establishment of dye-sensitized solar cells in the early '90s, both the efficiency and stability of these third generation photovoltaics have been greatly enhanced. Nevertheless, there still exist many unwanted processes that impede operation of dye-sensitized solar cells, encumbering the achievement of the maximum theoretical power conversion efficiency and decreasing the devices' long-term operation. These processes include charge recombination, dye aggregation, dye desorption, and high protonation degrees of the semiconductor's surface. This Minireview focuses on a powerful strategy developed to address these problems, namely the use of co-adsorbents. All types of co-adsorbents utilized thus far are categorized in terms of the chemical identity of their anchoring group; in addition their operational mechanisms are presented and the properties that a functional molecule should possess to be applied as an efficient co-adsorbent are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. 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

    The adsorption of 2,6-naphthalenedicarboxylic acid (NDCA) molecules on the Ag(110), Cu(110), and Ag(111) surfaces at room temperature has been studied by means of scanning tunnelling microscopy (STM). Further supporting results were obtained using X-ray photoelectron spectroscopy (XPS) and soft X......-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...

  16. Room-temperature atomic layer deposition of ZrO{sub 2} using tetrakis(ethylmethylamino)zirconium and plasma-excited humidified argon

    Energy Technology Data Exchange (ETDEWEB)

    Kanomata, K. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Japan Society for the Promotion of Science, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083 (Japan); Tokoro, K.; Imai, T.; Pansila, P.; Miura, M.; Ahmmad, B.; Kubota, S.; Hirahara, K. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Hirose, F., E-mail: fhirose@yz.yamagata-u.ac.jp [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan)

    2016-11-30

    Highlights: • RT-ALD of ZrO{sub 2} is developed using TEMAZ and plasma-excited humidified argon. • The plasma-excited humidified argon is effective in oxidizing the TEMAZ saturated ZrO{sub 2}. • We discuss the reaction mechanism of the RT-ZrO{sub 2} ALD. - Abstract: Room-temperature atomic layer deposition (ALD) of ZrO{sub 2} is developed with tetrakis(ethylmethylamino)zirconium (TEMAZ) and a plasma-excited humidified argon. A growth per cycle of 0.17 nm/cycle at room temperature is confirmed, and the TEMAZ adsorption and its oxidization on ZrO{sub 2} are characterized by IR absorption spectroscopy with a multiple internal reflection mode. TEMAZ is saturated on a ZrO{sub 2} surface with exposures exceeding ∼2.0 × 10{sup 5} Langmuir (1 Langmuir = 1.0 × 10{sup −6} Torr s) at room temperature, and the plasma-excited humidified argon is effective in oxidizing the TEMAZ-adsorbed ZrO{sub 2} surface. The IR absorption spectroscopy suggests that Zr-OH works as an adsorption site for TEMAZ. The reaction mechanism of room-temperature ZrO{sub 2} ALD is discussed in this paper.

  17. PROPERTIES AND THERMODYNAMICS OF ADSORPTION OF BENZOIC ACID ONTO XAD-4 AND A WATER-COMPATIBLE HYPERCROSSLINKED ADSORBENT

    Institute of Scientific and Technical Information of China (English)

    Fu-qiang Liu; Jin-long Chen; Ai-min Li; Zheng-hao Fei; Zhao-lian Zhu; Quan-xing Zhang

    2003-01-01

    The adsorption behavior of benzoic acid onto a water-compatible hypercrosslinked polymeric adsorbent NJ-8 was compared with that onto macroporous Amberlite XAD-4. This paper focuses on the static equilibrium adsorption behaviors,the adsorption thermodynamics and the column dynamic adsorption profiles. Five isotherm models are used to fit the results.This shows that the Freundlich equation can give a perfect fit. The specific surface area of NJ-8 is about as high as that of Amberlite XAD-4, but the adsorbing capacity for benzoic acid on NJ-8 is about 14.9%-64.8% higher than that on Amberlite XAD-4, which is attributed to its microporous mechanism and partial polarity. The negative values of the adsorption enthalpy are indicative of an exothermic process. Both enthalpy and free energy changes of adsorption manifest a physical sorption process. The negative values of the adsorption entropy indicate that adsorption is well consistent with the restricted mobilities and the configurations of the adsorbed molecules on the surface of the studied adsorbents with superficial heterogeneity. Both adsorbents were used in mini-column experiments to demonstrate the higher breakthrough adsorbing capacity of the hypercrosslinked polymeric adsorbent NJ-8 to benzoic acid, as compared with that of Amberlite XAD-4.

  18. Excited states 2

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 2 is a collection of papers that deals with molecules in the excited states. The book describes the geometries of molecules in the excited electronic states. One paper describes the geometries of a diatomic molecule and of polyatomic molecules; it also discusses the determination of the many excited state geometries of molecules with two, three, or four atoms by techniques similar to diatomic spectroscopy. Another paper introduces an ordered theory related to excitons in pure and mixed molecular crystals. This paper also presents some experimental data such as those invo

  19. Excited states v.6

    CERN Document Server

    Lim, Edward C

    1982-01-01

    Excited States, Volume 6 is a collection of papers that discusses the excited states of molecules. The first paper discusses the linear polyene electronic structure and potential surfaces, considering both the theoretical and experimental approaches in such electronic states. This paper also reviews the theory of electronic structure and cites some experimental techniques on polyene excitations, polyene spectroscopic phenomenology, and those involving higher states of polyenes and their triplet states. Examples of these experimental studies of excited states involve the high-resolution one-pho

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

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Ligang, E-mail: phdlinligang@yahoo.com.cn [State Key Laboratory of Hollow Fiber Membrane Materials and Processes, Tianjin Polytechnic University, Tianjin 300160 (China); School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300160 (China); Wang, Andong; Dong, Meimei [School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300160 (China); Zhang, Yuzhong; He, Benqiao; Li, Hong [State Key Laboratory of Hollow Fiber Membrane Materials and Processes, Tianjin Polytechnic University, Tianjin 300160 (China); School of Materials Science and Engineering, Tianjin Polytechnic University, Tianjin 300160 (China)

    2012-02-15

    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: Black-Right-Pointing-Pointer Membrane adsorption process is proposed for sulfur removal. Black-Right-Pointing-Pointer Three-dimensional network structure of MMMs is key to fulfill adsorption function. Black-Right-Pointing-Pointer 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

  1. The Uranium from Seawater Program at the Pacific Northwest National Laboratory: Overview of Marine Testing, Adsorbent Characterization, Adsorbent Durability, Adsorbent Toxicity, and Deployment Studies

    Energy Technology Data Exchange (ETDEWEB)

    Gill, Gary A.; Kuo, Li-Jung; Janke, Chris J.; Park, Jiyeon; Jeters, Robert T.; Bonheyo, George T.; Pan, Horng-Bin; Wai, Chien; Khangaonkar, Tarang; Bianucci, Laura; Wood, Jordana R.; Warner, Marvin G.; Peterson, Sonja; Abrecht, David G.; Mayes, Richard T.; Tsouris, Costas; Oyola, Yatsandra; Strivens, Jonathan E.; Schlafer, Nicholas J.; Addleman, R. Shane; Chouyyok, Wilaiwan; Das, Sadananda; Kim, Jungseung; Buesseler, Ken; Breier, Crystal; D’Alessandro, Evan

    2016-02-07

    The Pacific Northwest National Laboratory’s (PNNL) Marine Science Laboratory (MSL) located along the coast of Washington State is evaluating the performance of uranium adsorption materials being developed for seawater extraction under realistic marine conditions with natural seawater. Two types of exposure systems were employed in this program: flow-through columns for testing of fixed beds of individual fibers and pellets and a recirculating water flume for testing of braided adsorbent material. Testing consists of measurements of the adsorption of uranium and other elements from seawater as a function of time, typically 42 to 56 day exposures, to determine the adsorbent capacity and adsorption rate (kinetics). Analysis of uranium and other trace elements collected by the adsorbents was conducted following strong acid digestion of the adsorbent with 50% aqua regia using either Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) or Inductively Coupled Plasma Mass Spectrometer (ICP-MS). The ORNL 38H adsorbent had a 56 day adsorption capacity of 3.30 ± 0.68 g U/ kg adsorbent (normalized to a salinity of 35 psu), a saturation adsorption capacity of 4.89 ± 0.83 g U/kg of adsorbent material (normalized to a salinity of 35 psu) and a half-saturation time of 28 ± 10 days. The AF1 adsorbent material had a 56 day adsorption capacity of 3.9 ± 0.2 g U/kg adsorbent material (normalized to a salinity of 35 psu), a saturation capacity of 5.4 ± 0.2 g U/kg adsorbent material (normalized to a salinity of 35 psu) and a half saturation time of 23 ± 2 days. The ORNL amidoxime-based adsorbent materials are not specific for uranium, but also adsorb other elements from seawater. The major doubly charged cations in seawater (Ca and Mg) account for a majority of the cations adsorbed (61% by mass and 74% by molar percent). For the ORNL AF1 adsorbent material, U is the 4th most abundant element adsorbed by mass and 7th most abundant by molar percentage

  2. Analysis of excitation mechanisms of Ho3+ upconversion luminescence in Ho3+:LiYbF4 (0.2 at %) crystal via photographs of its longitudinal cross sections and via spectral and kinetic characteristics

    Science.gov (United States)

    Kazakov, B. N.; Mikheev, A. V.; Goriev, O. G.; Korableva, S. L.; Semashko, V. V.

    2016-10-01

    The results of a complex analysis of the excitation mechanisms of the up conversion luminescence of Ho3+:LiYbF4 (0.2 at %) crystal are presented. The spatial distribution of the upconversion luminescence intensity is studied by the photographs of longitudinal cross sections at different positions of the laser beam waist with respect to the sample. The surface power density of the pump laser diode radiation (0.755 W, λ = 933 nm) was changed by focusing the beam (similar to Z-scanning). The dependences of the longitudinal luminescence cross sections, as well as of the spectral and kinetic characteristics of Ho3+ and Yb3+ luminescence, on the position of the laser beam waist are determined. It is found that there exist two different mechanisms of the population of the energy levels of Ho3+ ions from which green and red luminescence occur, namely, cooperative sensitization of luminescence and absorption of induced photon groups (JETP Letters, 102 (5), 279 (2015)). It is shown that the contributions of these mechanisms vary both in time and over the crystal volume. All the observed spatial, spectral, and temporal specific features of the upconversion luminescence of Ho3+:LiYbF4 (0.2 at %) crystal are qualitatively explained.

  3. Improving the fluorescence polarization method to evaluate the orientation of fluorescent systems adsorbed in ordered layered materials

    Energy Technology Data Exchange (ETDEWEB)

    Salleres, Sandra [Departamento de Quimica Fisica, Universidad del Pais Vasco UPV/EHU, Apartado 644, 48080 Bilbao (Spain); Arbeloa, Fernando Lopez, E-mail: fernando.lopezarbeloa@ehu.e [Departamento de Quimica Fisica, Universidad del Pais Vasco UPV/EHU, Apartado 644, 48080 Bilbao (Spain); Martinez, Virginia Martinez; Arbeloa, Teresa; Lopez Arbeloa, Inigo [Departamento de Quimica Fisica, Universidad del Pais Vasco UPV/EHU, Apartado 644, 48080 Bilbao (Spain)

    2009-11-15

    The fluorescence polarization method, recently developed for the evaluation of the preferential orientation of fluorescent dyes adsorbed in layered materials [F. Lopez Arbeloa, V. Martinez Martinez, J. Photochem. Photobiol. A: Chem. 181 (2006) 44], is readapted to improve its application. Fluorescence polarization was previously obtained by recording the emission intensity for two orthogonal orientations of the emission polarizer (i.e., the horizontal and vertical polarized light) after excitation with vertical or horizontal polarized light. In the method proposed in this work, samples are excited with unpolarized light, reducing the polarization effect of the excitation light scattering at those emission wavelengths close to the excitation wavelength. Moreover, the present method decreases the effect of the orientation of other non-fluorescent species present in the system, which are active in the excitation process. Consequently, the new method is more simple, precise and sensitive. It is applied to evaluate the orientation of rhodamine 6G dye adsorbed in ordered laponite clay films with low and moderated dye loadings.

  4. Poorly crystalline hydroxyapatite: A novel adsorbent for enhanced fulvic acid removal from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Wei [Department of Environmental Science and Engineering, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Provincial Key Laboratory of Materials Cycling and Pollution Control, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Center for Collaborative Innovation in Geographical Information Resource Development and Application, Nanjing Normal University, Nanjing 210023 (China); Yang, Lei; Zhong, Wenhui; Cui, Jing [Department of Environmental Science and Engineering, Nanjing Normal University, Nanjing 210023 (China); Wei, Zhenggui, E-mail: weizhenggui@gmail.com [Department of Environmental Science and Engineering, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Provincial Key Laboratory of Materials Cycling and Pollution Control, Nanjing Normal University, Nanjing 210023 (China); Jiangsu Center for Collaborative Innovation in Geographical Information Resource Development and Application, Nanjing Normal University, Nanjing 210023 (China)

    2015-03-30

    Graphical abstract: - Highlights: • Poorly crystalline HAP was firstly used for FA removal from aqueous solution. • The maximum adsorption capacity was determined to be 90.20 mg/g at 318 K. • Adsorption kinetics, isotherms and thermodynamic have been studied in detail. • Adsorption mechanism involved surface complexation, electrostatic interaction and hydrogen bonding. - Abstract: In this study, poorly crystalline hydroxyapatite (HAP) was developed as an efficient adsorbent for the removal of fulvic acid (FA) from aqueous solution. Surface functionality, crystallinity, and morphology of the synthetic adsorbent were studied by Fourier-transformation infrared (FT-IR) spectroscopy, powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). The effects of various parameters such as crystallinity of adsorbent, contact time, adsorbent dosage, pH, initial adsorbate concentration, temperature, ionic strength and the presence of alkaline earth metal ions on FA adsorption were investigated. Results indicated that the nanosized HAP calcined at lower temperature was poorly crystalline (X{sub c} = 0.23) and had better adsorption capacity for FA than those (X{sub c} = 0.52, 0.86) calcined at higher temperature. FA removal was increased with increases of adsorbent dosage, temperature, ionic strength and the presence of alkali earth metal ions, but decreased as the pH increased. Kinetic studies showed that pseudo-second-order kinetic model better described the adsorption process. Equilibrium data were best described by Sips models, and the estimated maximum adsorption capacity of poorly crystalline HAP was 90.20 mg/g at 318 K, displaying higher efficiency for FA removal than previously reported adsorbents. FT-IR results revealed that FA adsorption over the adsorbent could be attributed to the surface complexation between the oxygen atom of functional groups of FA and calcium ions of HAP. Regeneration studies indicated that HAP could be recyclable for a long

  5. Few Issues Related to an Electrodynamic Exciter Control

    OpenAIRE

    Čala, M.

    2015-01-01

    There are multiple problems to solve when controlling an electromagnetic exciter for vibrations generation. Main challenge is to straighten a frequency response of an exciter which is normally not uniform due to resonances resulting from the mechanical construction of an exciter, specimen to test, or mounting fixture. This paper describes number of aspects to consider, which arose during implementation of the control system for small electrodynamic exciter on the Department of Control and Ins...

  6. Adsorbate Azimuthal Orientation from Reflectance Anisotropy Spectroscopy

    Science.gov (United States)

    Frederick, B. G.; Power, J. R.; Cole, R. J.; Perry, C. C.; Chen, Q.; Haq, S.; Bertrams, Th.; Richardson, N. V.; Weightman, P.

    1998-05-01

    We have determined the azimuthal orientation of an adsorbate on a metal surface from an intramolecular-transition-derived feature in reflectance anisotropy spectroscopy (RAS). Adsorption of 9-anthracene carboxylic acid onto p\\(2×1\\)O/Cu110 led to an ordered structure with a strong (2%), derivativelike feature at 4.5 eV. Fresnel theory predicts the measured intensity, functional behavior, and sense of the RAS signal for the molecule aligned along [110]. IR measurements confirm that the molecular plane is perpendicular to the surface and STM measurements support the azimuthal orientation. We reassign the sense of the clean Cu(110) surface RA spectrum.

  7. The London-Anderson-Englert-Brout-Higgs-Guralnik-Hagen-Kibble-Weinberg mechanism and Higgs boson reveal the unity and future excitement of physics

    CERN Document Server

    Allen, Roland E

    2013-01-01

    The particle recently discovered by the CMS and ATLAS collaborations at CERN is almost certainly a Higgs boson, fulfilling a quest that can be traced back to three seminal high energy papers of 1964, but which is intimately connected to ideas in other areas of physics that go back much further. One might oversimplify the history of the features which (i) give mass to the W and Z particles that mediate the weak nuclear interaction, (ii) effectively break gauge invariance, (iii) eliminate physically unacceptable Nambu-Goldstone bosons, and (iv) give mass to fermions (like the electron) by collectively calling them the London-Anderson-Englert-Brout-Higgs-Guralnik-Hagen-Kibble-Weinberg mechanism. More important are the implications for the future: a Higgs boson appears to point toward supersymmetry, since new physics is required to protect its mass from enormous quantum corrections, while the discovery of neutrino masses seems to point toward grand unification of the nongravitational forces.

  8. CALCULATION OF THE YOUNG'S MODULUS OF AN ADSORBED POLYMER LAYER

    Institute of Scientific and Technical Information of China (English)

    Rüdiger Stark; Michael Kappl; Hans-Jürgen Butt

    2007-01-01

    Polymer layers adsorbed to a surface or in a confined environment often change their mechanical properties. There is even the possibility of solidification of the confined layer. To judge the stiffness of such a layer, we used the Hertz model to calculate the Young's modulus of the polymer layer in the confinement of AFM experiments with silicon nitride tip with a radius of curvature of R ≈ 50 nm and a glass sphere attached to the cantilever R = 5 μm. Since there is no visible indentation of the layer in the AFM experiments, the layer is either penetrated very easily, or the indentation is too small to be seen in a force curve. The latter would be the case for a polymer layer with a Young's modulus above 4×108 Pa in case of an experiment with a silicon nitride tip and 4×105 Pa in case of a glass sphere.

  9. Adsorption characteristics of water vapor on honeycomb adsorbents

    Science.gov (United States)

    Wajima, Takaaki; Munakata, Kenzo; Takeishi, Toshiharu; Hara, Keisuke; Wada, Kouhei; Katekari, Kenichi; Inoue, Keita; Shinozaki, Yohei; Mochizuki, Kazuhiro; Tanaka, Masahiro; Uda, Tatsuhiko

    2011-10-01

    Recovery of tritium released into working areas in nuclear fusion plants is a key issue of safety. A large volume of air from tritium fuel cycle or vacuum vessel should be processed by air cleanup system (ACS). In ACS, tritium gas is oxidized by catalysts, and then tritiated water vapor is collected by adsorbents. This method can remove tritium effectively, whereas high throughput of air causes high-pressure drop in catalyst and adsorbent beds. In this study, the applicability of honeycomb-type adsorbents, which offers a useful advantage in terms of their low-pressure drop, to ACS was examined, in comparison with conventional pebble-type adsorbent. Honeycomb-type adsorbent causes far less pressure drop than pebble-type adsorbent beds. Adsorption capacity of water vapor on a honeycomb-type adsorbent is slightly lower than that on a pebble-type adsorbent, while adsorption rate of water vapor on honeycomb-type adsorbent is much higher than that of pebble-type adsorbent.

  10. Mesocarbon Microbead Carbon-Supported Magnesium Hydroxide Nanoparticles: Turning Spent Li-ion Battery Anode into a Highly Efficient Phosphate Adsorbent for Wastewater Treatment

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yan; Guo, Xingming; Wu, Feng; Yao, Ying; Yuan, Yifei; Bi, Xuanxuan; Luo, Xiangyi; Shahbazian-Yassar, Reza; Zhang, Cunzhong; Amine, Khalil

    2016-08-24

    Phosphorus in water eutrophication has become a serious problem threatening the environment. However, the development of efficient adsorbents for phosphate removal from water is lagging. In this work, we recovered the waste material, graphitized carbon, from spent lithium ion batteries and modified it with nanostructured Mg(OH)2 on the surface to treat excess phosphate. This phosphate adsorbent shows one of the highest phosphate adsorption capacities to date, 588.4 mg/g (1 order of magnitude higher than previously reported carbon-based adsorbents), and exhibits decent stability. A heterogeneous multilayer adsorption mechanism was proposed on the basis of multiple adsorption results. This highly efficient adsorbent from spent Li-ion batteries displays great potential to be utilized in industry, and the mechanism study paved a way for further design of the adsorbent for phosphate adsorption.

  11. Evidence for photo-induced charge separation between dye molecules adsorbed to aluminium oxide surfaces.

    Science.gov (United States)

    Cappel, Ute B; Moia, Davide; Bruno, Annalisa; Vaissier, Valerie; Haque, Saif A; Barnes, Piers R F

    2016-02-19

    Excited state dynamics and photo-induced charge transfer of dye molecules have been widely studied due to their relevance for organic and dye-sensitised solar cells. Herein, we present a femtosecond transient absorption spectroscopy study of the indolene dye D131 when adsorbed to inert Al2O3 substrates for different surface concentration of the dye. Surprisingly, we find that at high surface concentrations, the first singlet excited state of the dye is converted into a new state with an efficiency of about 80%. We assign the absorption features of this state to the oxidised dye and discuss the possibility of photo-induced charge separation between neighboring dye molecules. Our study is the first to show that this process can be highly efficient without the use of donor and acceptor molecules of different chemical structures.

  12. Hydrogen Bonds in Excited State Proton Transfer

    Science.gov (United States)

    Horke, D. A.; Watts, H. M.; Smith, A. D.; Jager, E.; Springate, E.; Alexander, O.; Cacho, C.; Chapman, R. T.; Minns, R. S.

    2016-10-01

    Hydrogen bonding interactions between biological chromophores and their surrounding protein and solvent environment significantly affect the photochemical pathways of the chromophore and its biological function. A common first step in the dynamics of these systems is excited state proton transfer between the noncovalently bound molecules, which stabilizes the system against dissociation and principally alters relaxation pathways. Despite such fundamental importance, studying excited state proton transfer across a hydrogen bond has proven difficult, leaving uncertainties about the mechanism. Through time-resolved photoelectron imaging measurements, we demonstrate how the addition of a single hydrogen bond and the opening of an excited state proton transfer channel dramatically changes the outcome of a photochemical reaction, from rapid dissociation in the isolated chromophore to efficient stabilization and ground state recovery in the hydrogen bonded case, and uncover the mechanism of excited state proton transfer at a hydrogen bond, which follows sequential hydrogen and charge transfer processes.

  13. Equilibrium molecular theory of two-dimensional adsorbate drops on surfaces of heterogeneous adsorbents

    Science.gov (United States)

    Tovbin, Yu. K.

    2016-08-01

    A molecular statistical theory for calculating the linear tension of small multicomponent droplets in two-dimensional adsorption systems is developed. The theory describes discrete distributions of molecules in space (on a scale comparable to molecular size) and continuous distributions of molecules (at short distances inside cells) in their translational and vibrational motions. Pair intermolecular interaction potentials (the Mie type potential) in several coordination spheres are considered. For simplicity, it is assumed that distinctions in the sizes of mixture components are slight and comparable to the sizes of adsorbent adsorption centers. Expressions for the pressure tensor components inside small droplets on the heterogeneous surface of an adsorbent are obtained, allowing calculations of the thermodynamic characteristics of a vapor-fluid interface, including linear tension. Problems in refining the molecular theory are discussed: describing the properties of small droplets using a coordination model of their structure, considering the effect an adsorbate has on the state of a near-surface adsorbent region, and the surface heterogeneity factor in the conditions for the formation of droplets.

  14. An NMR study of adsorbed helium films

    Science.gov (United States)

    Kent, Anthony Joseph

    The properties of sub-monolayer Helium-3 films adsorbed on two totally different but planar substrates, Mylar† film and exfoliated graphite have been studied using NMR. The nuclear magnetic relaxation times T1 and T 2 have been measured as functions of fractional monolayer completion, temperature, substrate plane orientation and Larmor frequency using a specially designed and constructed NMR spectrometer system. The results obtained with a Mylar film substrate are consistent3with the formation of patches of solid 3He at regions of preferential adsorption on the substrate. Measurements of T2 m very low coverage 3He films on exfoliated graphite also indicate that the adsorbate forms areas of relatively high density solid, in agreement with the thermodynamic analysis of Elgin and Goodstein. Finally, detailed measurements of T2 as a function of all of the above parameters at low areal densities will help us to characterise the relaxation processes for the fluid phase of 33He on exfoliated graphite. †Mylar is the tradename of poly(ethelene-terephthalate) film, marketed by Du Pont.

  15. TRMM project contamination control using molecular adsorbers

    Energy Technology Data Exchange (ETDEWEB)

    Straka, S.; Chen, P.; Thomson, S. [NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Bettini, R.; Triolo, J.; Carosso, N. [Swales and Associates, Inc., 5050 Powder Mill Road, Beltsville, Maryland 20705 (United States)

    1996-03-01

    The Tropical Rainfall Measuring Mission (TRMM) is a spacecraft under development by the National Aeronautics and Space Administration (NASA) and the National Space Development Agency of Japan (NASDA) and is scheduled for launch in August 1997. The spacecraft design includes the use of numerous optical instruments and the thermal control surfaces. In addition to the inherent contamination sensitivities of the optical and thermal systems, TRMM has had the added challenge of designing systems to function at a relatively low altitude (350 km), with solar exposure. Under these conditions, high atomic oxygen densities and potentially high levels of backscattered contamination (self-contamination), as well as UV photopolymerization effects, all pose major threats to sensitive TRMM elements. In considering the various contamination control paths to follow, the TRMM project management has opted for pursuing a relatively new, but very promising technology for the TRMM spacecraft in order to lower the on-orbit contamination levels. TRMM will be incorporating Molecular Adsorbers as part of the basic spacecraft design. This paper will summarize the TRMM requirements, describe the Molecular Adsorbers being fabricated for the mission, and discuss the expected benefits of this method of on-orbit contamination control. {copyright} {ital 1996 American Institute of Physics.}

  16. 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%.

  17. Dye sequestration using agricultural wastes as adsorbents

    Directory of Open Access Journals (Sweden)

    Kayode Adesina Adegoke

    2015-12-01

    Full Text Available Color is a visible pollutant and the presence of even minute amounts of coloring substance makes it undesirable due to its appearance. The removal of color from dye-bearing effluents is a major problem due to the difficulty in treating such wastewaters by conventional treatment methods. The most commonly used methods for color removal are biological oxidation and chemical precipitation. However, these processes are effective and economic only in the case where the solute concentrations are relatively high. Most industries use dyes and pigments to color their products. The presence of dyes in effluents is a major concern due to its adverse effect on various forms of life. The discharge of dyes in the environment is a matter of concern for both toxicological and esthetical reasons. It is evident from a literature survey of about 283 recently published papers that low-cost adsorbents have demonstrated outstanding removal capabilities for dye removal and the optimal equilibrium time of various dyes with different charcoal adsorbents from agricultural residues is between 4 and 5 h. Maximum adsorptions of acidic dyes were obtained from the solutions with pH 8–10. The challenges and future prospects are discussed to provide a better framework for a safer and cleaner environment.

  18. Search for Excited Leptons at LEP

    CERN Document Server

    Achard, P; Aguilar-Benítez, M; Alcaraz, J; Alemanni, G; Allaby, James V; Aloisio, A; Alviggi, M G; Anderhub, H; Andreev, V P; Anselmo, F; Arefev, A; Azemoon, T; Aziz, T; Bagnaia, P; Bajo, A; Baksay, G; Baksay, L; Baldew, S V; Banerjee, S; Banerjee, Sw; Barczyk, A; Barillère, R; Bartalini, P; Basile, M; Batalova, N; Battiston, R; Bay, A; Becattini, F; Becker, U; Behner, F; Bellucci, L; Berbeco, R; Berdugo, J; Berges, P; Bertucci, B; Betev, B L; Biasini, M; Biglietti, M; Biland, A; Blaising, J J; Blyth, S C; Bobbink, Gerjan J; Böhm, A; Boldizsar, L; Borgia, B; Bottai, S; Bourilkov, D; Bourquin, Maurice; Braccini, S; Branson, J G; Brochu, F; Burger, J D; Burger, W J; Cai, X D; Capell, M; Cara Romeo, G; Carlino, G; Cartacci, A M; Casaus, J; Cavallari, F; Cavallo, N; Cecchi, C; Cerrada, M; Chamizo-Llatas, M; Chang, Y H; Chemarin, M; Chen, A; Chen, G; Chen, G M; Chen, H F; Chen, H S; Chiefari, G; Cifarelli, Luisa; Cindolo, F; Clare, I; Clare, R; Coignet, G; Colino, N; Costantini, S; de la Cruz, B; Cucciarelli, S; van Dalen, J A; De Asmundis, R; Déglon, P L; Debreczeni, J; Degré, A; Dehmelt, K; Deiters, K; Della Volpe, D; Delmeire, E; Denes, P; De Notaristefani, F; De Salvo, A; Diemoz, M; Dierckxsens, M; Dionisi, C; Dittmar, M; Doria, A; Dova, M T; Duchesneau, D; Duda, M; Echenard, B; Eline, A; El-Hage, A; El-Mamouni, H; Engler, A; Eppling, F J; Extermann, P; Falagán, M A; Falciano, S; Favara, A; Fay, J; Fedin, O; Felcini, M; Ferguson, T; Fesefeldt, H S; Fiandrini, E; Field, J H; Filthaut, Frank; Fisher, P H; Fisher, W; Fisk, I; Forconi, G; Freudenreich, Klaus; Furetta, C; Galaktionov, Yu; Ganguli, S N; García-Abia, P; Gataullin, M; Gentile, S; Giagu, S; Gong, Z F; Grenier, G; Grimm, O; Grünewald, M W; Guida, M; van Gulik, R; Gupta, V K; Gurtu, A; Gutay, L J; Haas, D; Hakobyan, R S; Hansen, J M; Hatzifotiadou, D; Hebbeker, T; Hervé, A; Hirschfelder, J; Hofer, H; Hohlmann, M; Holzner, G; Hou, S R; Hu, Y; Jin, B N; Jones, L W; de Jong, P; Josa-Mutuberria, I; Käfer, D; Kaur, M; Kienzle-Focacci, M N; Kim, J K; Kirkby, Jasper; Kittel, E W; Klimentov, A; König, A C; Kopal, M; Koutsenko, V F; Kräber, M H; Krämer, R W; Krüger, A; Kunin, A; Ladrón de Guevara, P; Laktineh, I; Landi, G; Lebeau, M; Lebedev, A; Lebrun, P; Lecomte, P; Lecoq, P; Le Coultre, P; Le Goff, J M; Leiste, R; Levtchenko, M; Levchenko, P M; Li, C; Likhoded, S; Lin, C H; Lin, W T; Linde, Frank L; Lista, L; Liu, Z A; Lohmann, W; Longo, E; Lü, Y S; Luci, C; Luminari, L; Lustermann, W; Ma Wen Gan; Malgeri, L; Malinin, A; Maña, C; Mans, J; Martin, J P; Marzano, F; Mazumdar, K; McNeil, R R; Mele, S; Merola, L; Meschini, M; Metzger, W J; Mihul, A; Milcent, H; Mirabelli, G; Mnich, J; Mohanty, G B; Muanza, G S; Muijs, A J M; Musicar, B; Musy, M; Nagy, S; Natale, S; Napolitano, M; Nessi-Tedaldi, F; Newman, H; Nisati, A; Nowak, H; Ofierzynski, R A; Organtini, G; Pal, I; Palomares, C; Paolucci, P; Paramatti, R; Passaleva, G; Patricelli, S; Paul, T; Pauluzzi, M; Paus, C; Pauss, Felicitas; Pedace, M; Pensotti, S; Perret-Gallix, D; Petersen, B; Piccolo, D; Pierella, F; Pioppi, M; Piroué, P A; Pistolesi, E; Plyaskin, V; Pohl, M; Pozhidaev, V; Pothier, J; Prokofev, D; Prokofiev, D O; Quartieri, J; Rahal-Callot, G; Rahaman, M A; Raics, P; Raja, N; Ramelli, R; Rancoita, P G; Ranieri, R; Raspereza, A V; Razis, P A; Ren, D; Rescigno, M; Reucroft, S; Riemann, S; Riles, K; Roe, B P; Romero, L; Rosca, A; Rosier-Lees, S; Roth, S; Rosenbleck, C; Rubio, J A; Ruggiero, G; Rykaczewski, H; Sakharov, A; Saremi, S; Sarkar, S; Salicio, J; Sánchez, E; Schäfer, C; Shchegelskii, V; Schopper, Herwig Franz; Schotanus, D J; Sciacca, C; Servoli, L; Shevchenko, S; Shivarov, N; Shoutko, V; Shumilov, E; Shvorob, A V; Son, D; Souga, C; Spillantini, P; Steuer, M; Stickland, D P; Stoyanov, B; Strässner, A; Sudhakar, K; Sultanov, G G; Sun, L Z; Sushkov, S; Suter, H; Swain, J D; Szillási, Z; Tang, X W; Tarjan, P; Tauscher, Ludwig; Taylor, L; Tellili, B; Teyssier, D; Timmermans, C; Ting, Samuel C C; Ting, S M; Tonwar, S C; Tóth, J; Tully, C; Tung, K L; Ulbricht, J; Valente, E; Van de Walle, R T; Vásquez, R; Veszpremi, V; Vesztergombi, G; Vetlitskii, I; Vicinanza, D; Viertel, Gert M; Villa, S; Vivargent, M; Vlachos, S; Vodopyanov, I; Vogel, H; Vogt, H; Vorobev, I; Vorobyov, A A; Wadhwa, M; Wang, Q; Wang, X L; Wang, Z M; Weber, M; Wienemann, P; Wilkens, H; Wynhoff, S; Xia, L; Xu, Z Z; Yamamoto, J; Yang, B Z; Yang, C G; Yang, H J; Yang, M; Yeh, S C; Zalite, A; Zalite, Yu; Zhang, Z P; Zhao, J; Zhu, G Y; Zhu, R Y; Zhuang, H L; Zichichi, A; Zimmermann, B; Zöller, M

    2003-01-01

    A search for charged and neutral excited leptons is performed in 217 pb-1 of data collected with the L3 detector at LEP at centre-of-mass energies up to 209 GeV. The pair- and single-production mechanisms are investigated and no signals are detected. Combining with L3 results from searches at lower centre-of-mass energies, gives improved limits on the masses and couplings of excited leptons.

  19. 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

  20. New insights on degradation of methylene blue using thermocatalytic reactions catalyzed by low-temperature excitation.

    Science.gov (United States)

    Luo, Xuegang; Zhang, Sizhao; Lin, Xiaoyan

    2013-09-15

    Although photocatalysis has been actively surveyed on removing organic pollutants in ultraviolet (UV) environment, because of lacking UV in solar exposure, photodegradation is difficult to be considerably degraded in conventional exposure condition. In this work, an innovative approach was proposed to compensate for it, which was developed in model wastewater using thermal sensitizer at room temperature. At the optimal component condition, the removal rate of adsorption and thermocatalytic degradation processes can reach the highest level of 82.07% solely response to temperature in the dark. Moreover, the kinetics of degradation rate was modeled considering that it was found similarly to Langmuir-Hinshelwood behavior, and a tentative mechanism was objectively established, describing reasonably well in line with the experimental results. On the other hand, it was found that high amount of methylene blue (MB) adsorbed onto thermal sensitizer was of unambiguous importance to subsequent thermocatalytic performance. Briefly, all above suggest that the feasibility to the thermodegradation route has been successfully verified under room temperature excitation. Herein the insight into degradation pattern of dye over thermal excitation may further enlarge applications for wastewater treatment.

  1. Excited states 4

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 4 is a collection of papers that deals with the excited states of molecular activity. One paper investigates the resonance Raman spectroscopy as the key to vibrational-electronic coupling. This paper reviews the basic theory of Raman scattering; it also explains the derivation of the Raman spectra, excitation profiles, and depolarization ratios for simple resonance systems. Another paper reviews the magnetic properties of triplet states, including the zero-field resonance techniques, the high-field experiments, and the spin Hamiltonian. This paper focuses on the magnetic

  2. DESORPTION OF VOCs FROM POLYMERIC ADSORBENTS UNDER MICROWAVE FIELD

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Desorption of volatile organic compounds (VOCs)from polymeric adsorbents by microwave was investigated experimentally. Two kinds of organic compounds, benzene and toluene,were separately used as adsorbates in this work. Results showed that the application of microwave to regenerate the polymeric adsorbents not only can get higher regeneration efficiency in comparison with the use of heat regeneration, but also make the temperatures of the fixed beds much lower than that when using the heat regeneratton The weaker the polarity of a polymeric adsorbent, the easier its regeneration was.

  3. LSPR properties of metal nanoparticles adsorbed at a liquid-liquid interface.

    Science.gov (United States)

    Yang, Zhilin; Chen, Shu; Fang, Pingping; Ren, Bin; Girault, Hubert H; Tian, Zhongqun

    2013-04-21

    Unlike the solid-air and solid-liquid interfaces, the optical properties of metal nanoparticles adsorbed at the liquid-liquid interface have not been theoretically exploited to date. In this work, the three dimensional finite difference time domain (3D-FDTD) method is employed to clarify the localized surface plasmon resonance (LSPR) based optical properties of gold nanoparticles (NPs) adsorbed at the water-oil interface, including near field distribution, far field absorption and their relevance. The LSPR spectra of NPs located at a liquid-liquid interface are shown to differ significantly from those in a uniform liquid environment or at the other interfaces. The absorption spectra exhibit two distinct LSPR peaks, the positions and relative strengths of which are sensitive to the dielectric properties of each liquid and the exact positions of the NPs with respect to the interface. Precise control of the particles' position and selection of the appropriate wavelength of the excitation laser facilitates the rational design and selective excitation of localized plasmon modes for interfacial NPs, a necessary advance for the exploration of liquid-liquid interfaces via surface enhanced Raman spectroscopy (SERS). According to our calculations, the SERS enhancement factor for Au nanosphere dimers at the water-oil interface can be as high as 10(7)-10(9), implying significant promise for future investigations of interfacial structure and applications of liquid-liquid interfaces towards chemical analysis.

  4. 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.

  5. Carbon Dioxide Capture Adsorbents: Chemistry and Methods.

    Science.gov (United States)

    Patel, Hasmukh A; Byun, Jeehye; Yavuz, Cafer T

    2016-12-21

    Excess carbon dioxide (CO2 ) emissions and their inevitable consequences continue to stimulate hard debate and awareness in both academic and public spaces, despite the widespread lack of understanding on what really is needed to capture and store the unwanted CO2 . Of the entire carbon capture and storage (CCS) operation, capture is the most costly process, consisting of nearly 70 % of the price tag. In this tutorial review, CO2 capture science and technology based on adsorbents are described and evaluated in the context of chemistry and methods, after briefly introducing the current status of CO2 emissions. An effective sorbent design is suggested, whereby six checkpoints are expected to be met: cost, capacity, selectivity, stability, recyclability, and fast kinetics.

  6. Trends in adsorbate induced core level shifts

    Science.gov (United States)

    Nilsson, Viktor; Van den Bossche, Maxime; Hellman, Anders; Grönbeck, Henrik

    2015-10-01

    Photoelectron core level spectroscopy is commonly used to monitor atomic and molecular adsorption on metal surfaces. As changes in the electron binding energies are convoluted measures with different origins, calculations are often used to facilitate the decoding of experimental signatures. The interpretation could in this sense benefit from knowledge on trends in surface core level shifts for different metals and adsorbates. Here, density functional theory calculations have been used to systematically evaluate core level shifts for (111) and (100) surfaces of 3d, 4d, and 5d transition metals upon CO, H, O and S adsorption. The results reveal trends and several non-intuitive cases. Moreover, the difficulties correlating core level shifts with charging and d-band shifts are underlined.

  7. 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 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.

  8. Protein purification using magnetic adsorbent particles

    DEFF Research Database (Denmark)

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

    2006-01-01

    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...... and clinical diagnostics. However, despite the highly attractive qualities of magnetic methods on a process scale, with the exception of wastewater treatment, few attempts to scale up magnetic operations in biotechnology have been reported thus far. The purpose of this review is to summarise the current state...... of other suspended solids. Thus, it becomes possible to magnetically separate selected target species directly out of crude biological process liquors (e.g. fermentation broths, cell disruptates, plasma, milk, whey and plant extracts) simply by binding them on magnetic adsorbents before application...

  9. Excitable Scale Free Networks

    CERN Document Server

    Copelli, Mauro

    2007-01-01

    When a simple excitable system is continuously stimulated by a Poissonian external source, the response function (mean activity versus stimulus rate) generally shows a linear saturating shape. This is experimentally verified in some classes of sensory neurons, which accordingly present a small dynamic range (defined as the interval of stimulus intensity which can be appropriately coded by the mean activity of the excitable element), usually about one or two decades only. The brain, on the other hand, can handle a significantly broader range of stimulus intensity, and a collective phenomenon involving the interaction among excitable neurons has been suggested to account for the enhancement of the dynamic range. Since the role of the pattern of such interactions is still unclear, here we investigate the performance of a scale-free (SF) network topology in this dynamic range problem. Specifically, we study the transfer function of disordered SF networks of excitable Greenberg-Hastings cellular automata. We obser...

  10. Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of the projectile charge and velocity; Ionisation et excitation de l'atome de lithium par impact de particules chargees rapides: Identification des mecanismes de creation de deux lacunes en couche K du lithium en fonction de la charge et de la vitesse du projectile

    Energy Technology Data Exchange (ETDEWEB)

    Rangama, J

    2002-11-01

    Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of projectile charge and velocity. Auger electron spectroscopy is used for an experimental investigation of ionization and excitation of lithium atoms by ions (Kr34{sup +} and Ar18{sup +}) and electrons at high impact velocities (from 6 to 60 a.u.). In particular, relative contributions of the mechanisms responsible for lithium K-shell ionization-excitation are determined for various projectile charges Zp and velocities vp. A large range of perturbation parameters |Zp|/vp is explored (|Zp|/vp = 0,05 - 0,7 a.u.). From single K-shell excitation results, it appears that the projectile-electron interaction gives mainly rise to a dipole-like transition 1s -> np Concerning K-shell ionization-excitation, the separation of the TS2 (two independent projectile-electron interactions) and TS1 (one projectile-electron interaction) mechanisms responsible for the formation of the 2snp 1,3P and 2sns 1,3S lithium states is performed. In TS1 process, the projectile-electron interaction can be followed by an electron-electron interaction (dielectronic process) or by an internal rearrangement of the residual target after a sudden potential change (shake process). From Born theory, ab initio calculations are performed. The good agreement between theoretical and experimental results confirms the mechanism identification. For the production of P states, TS1 is found to be strongly dominant for small |Zp|/vp values and TS2 is found to be most important for large |Zp|/vp values. Since P states cannot be formed significantly via a shake process, the TS1 and TS2 separation provides a direct signature of the dielectronic process. On the other hand, the TS1 process is shown to be the unique process for producing the S states. At the moment, only the shake aspect of the TS1 process can explain the fact that the 2s3s configuration is

  11. 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....

  12. Molecular insights into the pH-dependent adsorption and removal of ionizable antibiotic oxytetracycline by adsorbent cyclodextrin polymers.

    Directory of Open Access Journals (Sweden)

    Yu Zhang

    Full Text Available Effects of pH on adsorption and removal efficiency of ionizable organic compounds (IOCs by environmental adsorbents are an area of debate, because of its dual mediation towards adsorbents and adsorbate. Here, we probe the pH-dependent adsorption of ionizable antibiotic oxytetracycline (comprising OTCH2 (+, OTCH(±, OTC(-, and OTC(2- onto cyclodextrin polymers (CDPs with the nature of molecular recognition and pH inertness. OTCH(± commonly has high adsorption affinity, OTC(- exhibits moderate affinity, and the other two species have negligible affinity. These species are evidenced to selectively interact with structural units (e.g., CD cavity, pore channel, and network of the polymers and thus immobilized onto the adsorbents to different extents. The differences in adsorption affinity and mechanisms of the species account for the pH-dependent adsorption of OTC. The mathematical equations are derived from the multiple linear regression (MLR analysis of quantitatively relating adsorption affinity of OTC at varying pH to adsorbent properties. A combination of the MLR analysis for OTC and molecular recognition of adsorption of the species illustrates the nature of the pH-dependent adsorption of OTC. Based on this finding, γ-HP-CDP is chosen to adsorb and remove OTC at pH 5.0 and 7.0, showing high removal efficiency and strong resistance to the interference of coexisting components.

  13. ADSORPTION OF BENZOIC ACID AND P-NITROBENZOIC ACID ON A NEW HYPERCROSSLINKED PHENOL GROUP PST ADSORBENT

    Institute of Scientific and Technical Information of China (English)

    ZHANG Gencheng; LIUFuqiang; FEI Zhenghao; LI Aimin; ZHANG Quanxing

    2003-01-01

    A comparison of the adsorption of benzoic acid and p-nitrobenzoic acid on the new hypercrosslinked polymeric adsorbent AM-I, with that by macroporous Amberlite XAD-4, including the equilibrium adsorption isotherms, the dynamic adsorption behaviors through column and the adsorption thermodynamics were studied. Results show that Freundlich equation gives a fitting adsorption isotherm. The specific surface of AM-l is only 67% of that of Amberlite XAD-4, but the adsorption capacities on AM-1 are much higher about 125%~166% than that on Amberlite XAD-4,which is contributed to the micropore mechanism and polarity. The negative values of the adsorption enthalpy are indicative of an exothermic process. Enthalpy and free energy changes of adsorption both manifest a physic-sorption process. The negative values of the adsorption entropy indicate that the adsorption is well consistent with the restricted mobilities and the configurations of the adsorbed benzoic acid molecules on the surface of studied adsorbents with superficial heterogeneity. Both adsorbents were used in mini-column experiments for adsorbing benzoic acid expecting to elucidate the higher breakthrough adsorption capacity of the new hypercrosslinked polymeric adsorbent AM-1 as compared with that of Amberlite XAD-4.

  14. Molecular insights into the pH-dependent adsorption and removal of ionizable antibiotic oxytetracycline by adsorbent cyclodextrin polymers.

    Science.gov (United States)

    Zhang, Yu; Cai, Xiyun; Xiong, Weina; Jiang, Hao; Zhao, Haitong; Yang, Xianhai; Li, Chao; Fu, Zhiqiang; Chen, Jingwen

    2014-01-01

    Effects of pH on adsorption and removal efficiency of ionizable organic compounds (IOCs) by environmental adsorbents are an area of debate, because of its dual mediation towards adsorbents and adsorbate. Here, we probe the pH-dependent adsorption of ionizable antibiotic oxytetracycline (comprising OTCH2 (+), OTCH(±), OTC(-), and OTC(2-)) onto cyclodextrin polymers (CDPs) with the nature of molecular recognition and pH inertness. OTCH(±) commonly has high adsorption affinity, OTC(-) exhibits moderate affinity, and the other two species have negligible affinity. These species are evidenced to selectively interact with structural units (e.g., CD cavity, pore channel, and network) of the polymers and thus immobilized onto the adsorbents to different extents. The differences in adsorption affinity and mechanisms of the species account for the pH-dependent adsorption of OTC. The mathematical equations are derived from the multiple linear regression (MLR) analysis of quantitatively relating adsorption affinity of OTC at varying pH to adsorbent properties. A combination of the MLR analysis for OTC and molecular recognition of adsorption of the species illustrates the nature of the pH-dependent adsorption of OTC. Based on this finding, γ-HP-CDP is chosen to adsorb and remove OTC at pH 5.0 and 7.0, showing high removal efficiency and strong resistance to the interference of coexisting components.

  15. Radiation-induced graft polymerization for the preparation of a highly efficient UHMWPE fibrous adsorbent for Cr(VI) removal

    Science.gov (United States)

    Gao, Qianhong; Hua, Jiangtao; Li, Rong; Xing, Zhe; Pang, Lijuan; Zhang, Mingxing; Xu, Lu; Wu, Guozhong

    2017-01-01

    A novel fibrous adsorbent containing amine and quaternary ammonium groups was prepared by radiation-induced graft of glycidyl methacrylate (GMA) onto ultra-high molecular weight polyethylene (UHMWPE) fiber and further modifying with triethylenetetramine (TETA) and glycidyl trimethylammonium chloride (GTA). The ATR-IR spectra and SEM observation demonstrated that amine and quaternary ammonium groups were immobilized onto the surface of UHMWPE fiber. The principal factors affecting the adsorption of Cr(VI) ions have been investigated including pH of the aqueous solution, contact time, temperature and coexisting anions. This novel fibrous adsorbent could effectively adsorb Cr(VI) in the range of pH 1-9, and the maximum adsorption capacity reached 295 mg/g at pH 3 and 25 °C based on the Langmuir isotherm. It was found that adsorption equilibrium could be achieved within 2 h for initial Cr(VI) of 100 mg/L, following the pseudo-second order model. The effect of coexisting anions (including SO42-, H2PO4-, NO3-and Cl-) on the uptake of Cr(VI) was investigated in detail. Additionally, the adsorption saturated fiber could be regenerated by soaking in 0.5 mol/L NaOH solution, and the adsorption performance of this adsorbent could be maintained at 90% after eight cycles of adsorption-desorption. ATR-IR and XPS analysis revealed that Cr(VI) ions were adsorbed on the fiber adsorbent through ion exchange mechanism.

  16. Quasiparticle excitations in frustrated antiferromagnets

    Energy Technology Data Exchange (ETDEWEB)

    Trumper, Adolfo E. [Instituto de Fisica Rosario (CONICET) Universidad Nacional de Rosario, Boulevard 27 de Febrero 210 bis, 2000 Rosario (Argentina)]. E-mail: trumper@ifir.edu.ar; Gazza, Claudio J. [Instituto de Fisica Rosario (CONICET) Universidad Nacional de Rosario, Boulevard 27 de Febrero 210 bis, 2000 Rosario (Argentina); Manuel, Luis O. [Instituto de Fisica Rosario (CONICET) Universidad Nacional de Rosario, Boulevard 27 de Febrero 210 bis, 2000 Rosario (Argentina)]. E-mail: manuel@ifir.edu.ar

    2004-12-31

    We have computed the quasiparticle wave function corresponding to a hole injected in a triangular antiferromagnet. We have taken into account multi-magnon contributions within the self-consistent Born approximation. We have found qualitative differences, under sign reversal of the integral transfer t, regarding the multi-magnon components and the own existence of the quasiparticle excitations. Such differences are due to the subtle interplay between magnon-assisted and free hopping mechanisms. We conclude that the conventional quasiparticle picture can be broken by geometrical frustration without invoking spin liquid phases.

  17. Removal of Chromium(VI from aqueous solution using guar gum–nano zinc oxide biocomposite adsorbent

    Directory of Open Access Journals (Sweden)

    Tabrez A. Khan

    2017-05-01

    Full Text Available Guar gum–nano zinc oxide (GG/nZnO biocomposite was used as an adsorbent for enhanced removal of Cr(VI from aqueous solution. The maximum adsorption was achieved at 50 min contact time, 25 mg/L Cr(VI conc., 1.0 g/L adsorbent dose and 7.0 pH. Langmuir, Freundlich, Dubinin–Kaganer–Radushkevich and Temkin isotherm models were used to interpret the experimental data. The data obeyed both Langmuir and Freundlich models (R2 = 0.99 indicating a multilayer adsorption of Cr(VI onto the heterogeneous surface. The linear plots of Temkin isotherm showed adsorbent-adsorbate interactions. Moreover, the energy obtained from DKR isotherm (1.58–2.24 kJ/mol indicated a physical adsorption of the metal ions onto the adsorbent surface, which implies more feasibility of the regeneration of the adsorbent. GG/nZnO biocomposite adsorbent showed an improved adsorption capacity for Cr(VI (qm = 55.56 mg/g as compared to other adsorbents reported in the literature. Adsorption process followed pseudo-second order kinetics; controlled by both liquid-film and intra-particle diffusion mechanisms. Thermodynamic parameters (ΔGo, ΔHo and ΔSo reflected the feasibility, spontaneity and exothermic nature of adsorption. The results suggested that GG/nZnO biocomposite is economical, eco-friendly and capable to remove Cr(VI from natural water resources.

  18. Excitability in optical systems close to Z2-symmetry

    CERN Document Server

    Beri, Stefano; Gelens, Lendert; Van der Sande, Guy; Mezosi, Gabor; Sorel, Marc; Danckaert, Jan; Verschaffelt, Guy; 10.1016/j.physleta.2009.11.070

    2011-01-01

    We report theoretically and experimentally on excitability in semiconductor ring lasers in order to reveal a mechanism of excitability, general for systems close to Z2-symmetry. The global shapes of the invariant manifolds of a saddle in the vicinity of a homoclinic loop determine the origin of excitability and the fea- tures of the excitable pulses. We show how to experimentally make a semiconductor ring laser excitable by breaking the Z2-symmetry in a controlled way. The experiments confirm the theoretical predictions.

  19. Seeded excitation avalanches in off-resonantly driven Rydberg gases

    CERN Document Server

    Simonelli, Cristiano; Masella, Guido; Asteria, Luca; Arimondo, Ennio; Ciampini, Donatella; Morsch, Oliver

    2016-01-01

    We report an experimental investigation of the facilitated excitation dynamics in off-resonantly driven Rydberg gases by separating the initial off-resonant excitation phase from the facilitation phase, in which successive facilitation events lead to excitation avalanches. We achieve this by creating a controlled number of initial seed excitations. Greater insight into the avalanche mechanism is obtained from an analysis of the full counting distributions. We also present simple mathematical models and numerical simulations of the excitation avalanches that agree well with our experimental results.

  20. 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.

  1. Study on development of adsorbent of acetaldehyde; Acetaldehyde yo kyuchakuzai no kaihatsu ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Noda, T. [Nippon Steel Corp., Tokyo (Japan); Suzuki, M. [The University of Tokyo, Tokyo (Japan). Institute of Industrial Science

    1997-07-10

    The adsorption of acetaldehyde by porous ceramics impregnated with hydrazinium aluminum sulfate (HAS) is studied. Silicagel, activated alumina, activated clay, and activated carbon are compared, and it is found that silicagel and activated clay are suitable as a substrate for HAS impregnated adsorbent. The adsorption mechanism of acetaldehyde by the adsorbent is believed to be one in which acetaldehyde reacts with hydrazinium and yields acetaldazine. The adsorption capacity of the adsorbent at low acetaldehyde concentration of 0.1 ppm was as large as 1.36 mol/kg. This adsorption capacity at 0.1 ppm acetaldehyde concentration is remarkably larger than that of conventional activated carbon. Hydrazinium decomposes easily in the air because it is a strong reducing agent and reacts with oxygen or carbon dioxide. But hydrazinium impregnated on porous ceramics with HAS becomes more stable and maintains reactivity with acetaldehyde for longer than six months. An adsorbent made of porous ceramics impregnated with HAS is useful as a deodorant for acetaldehyde. 8 refs., 6 figs., 6 tabs.

  2. From MDF and PB wastes to adsorbents for the removal of pollutants

    Science.gov (United States)

    Gomes, J. A. F. L.; Azaruja, B. A.; Mourão, P. A. M.

    2016-09-01

    The production of activated carbons in powder and monolith forms, by physical activation with CO2, with specific surface areas between 804 and 1469 m2 g-1, porous volume between 0.33 and 0.59 cm3 g-1, with basic nature (PZC ∼ 9.6-10.6) was achieved in our lab, from medium density fibreboard (MDF) and particleboard (PB), engineered wood composites wastes. These highly porous adsorbents were applied in kinetic and equilibrium adsorption studies, in batch and dynamic modes, in powder and monolith forms, of specific adsorptives, considered pollutants, namely phenol (P), p-nitrophenol (PNP) and neutral red (NR). In batch the maximum adsorbed amount was 267, 162 and 92 mg g-1, for PNP, P and NR, respectively. The application of different kinetic models (pseudo-first order, pseudo-second order and intraparticle diffusion model) leads to a better knowledge of the adsorption mechanisms of those adsorptives. The results obtained in the kinetic and equilibrium tests show that the combination of the structural features and the surface chemistry nature of the adsorbents, with the adsorptives properties, establish the kinetic performance, the type and amount adsorbed for each system. This work confirms the potential of these types of wastes in the production of activated carbons and its application in adsorption from liquid phase.

  3. Direct measurement of adsorbed gas redistribution in metal-organic frameworks.

    Science.gov (United States)

    Chen, Ying-Pin; Liu, Yangyang; Liu, Dahuan; Bosch, Mathieu; Zhou, Hong-Cai

    2015-03-04

    Knowledge about the interactions between gas molecules and adsorption sites is essential to customize metal-organic frameworks (MOFs) as adsorbents. The dynamic interactions occurring during adsorption/desorption working cycles with several states are especially complicated. Even so, the gas dynamics based upon experimental observations and the distribution of guest molecules under various conditions in MOFs have not been extensively studied yet. In this work, a direct time-resolved diffraction structure envelope (TRDSE) method using sequential measurements by in situ synchrotron powder X-ray diffraction has been developed to monitor several gas dynamic processes taking place in MOFs: infusion, desorption, and gas redistribution upon temperature change. The electron density maps indicate that gas molecules prefer to redistribute over heterogeneous types of sites rather than to exclusively occupy the primary binding sites. We found that the gas molecules are entropically driven from open metal sites to larger neighboring spaces during the gas infusion period, matching the localized-to-mobile mechanism. In addition, the partitioning ratio of molecules adsorbed at each site varies with different temperatures, as opposed to an invariant distribution mode. Equally important, the gas adsorption in MOFs is intensely influenced by the gas-gas interactions, which might induce more molecules to be accommodated in an orderly compact arrangement. This sequential TRDSE method is generally applicable to most crystalline adsorbents, yielding information on distribution ratios of adsorbates at each type of site.

  4. Low cost adsorbents for the removal of organic pollutants from wastewater.

    Science.gov (United States)

    Ali, Imran; Asim, Mohd; Khan, Tabrez A

    2012-12-30

    Water pollution due to organic contaminants is a serious issue because of acute toxicities and carcinogenic nature of the pollutants. Among various water treatment methods, adsorption is supposed as the best one due to its inexpensiveness, universal nature and ease of operation. Many waste materials used include fruit wastes, coconut shell, scrap tyres, bark and other tannin-rich materials, sawdust and other wood type materials, rice husk, petroleum wastes, fertilizer wastes, fly ash, sugar industry wastes blast furnace slag, chitosan and seafood processing wastes, seaweed and algae, peat moss, clays, red mud, zeolites, sediment and soil, ore minerals etc. These adsorbents have been found to remove various organic pollutants ranging from 80 to 99.9%. The present article describes the conversion of waste products into effective adsorbents and their application for water treatment. The possible mechanism of adsorption on these adsorbents has also been included in this article. Besides, attempts have been made to discuss the future perspectives of low cost adsorbents in water treatment.

  5. Evaluation of zeolites synthesized from fly ash as potential adsorbents for wastewater containing heavy metals

    Institute of Scientific and Technical Information of China (English)

    WANG Chunfeng; LI Jiansheng; WANG Lianjun; SUN Xiuyun

    2009-01-01

    Both pure-form zeolites (zeolites A and X) were synthesized by applying a two-stage method during hydrothermal treatment of fly ash prepared initial gel. The difference of adsorption capacity of both fly ash-synthesized zeolits was assessed under the same adsorption conditions. Copper and zinc were chosen as target heavy metal ions. It was found that adsorption capacity of zeolite A showed much higher value than that of zeolite X. Thus, attention was focused on investigating the removal performance of heavy metal ions in aqueous solution on the synthetic pure-form zeolite A from fly ash, zeolite HS (hydroxyl-solidate) prepared from the residual fly ash (after synthesis of pure-form zeolite A from fly ash) and a commercial grade zeolite A. Batch method was employed to study the influential parameters such as initial pH value, adsorbents dosage and adsorption temperature on the adsorption process. The equilibrium data were well fitted by the Langmuir model and showed the affinity: Cu2+ > Zn2+ (adsorbent FA-ZA). The removal mechanism of metal ions followed adsorption and ion exchange processes. Attempts were also made to recover heavy metal ions and regenerate adsorbents (adsorbent FA-ZA).

  6. The application of Fe–Mn hydrous oxides based adsorbent for removing selenium species from water

    KAUST Repository

    Szlachta, Małgorzata

    2013-02-01

    In this study, the adsorptive removal of selenium(IV) and selenium(VI) from water by a newly developed ion exchange adsorbent, based on Fe(III) and Mn(III) hydrous oxides, was examined. This study was conducted to determine the influence of various operating parameters, such as initial anion concentration, contact time, adsorbent dose, pH, solution temperature, and the presence of competitive anions, on the treatment performance. The high Se(IV) adsorptive capacity of the adsorbent (up to 41.02. mg/g at pH 4) was due to its high affinity for selenite, as reflected in the fast rate of uptake (batch studies) and an efficient long-term removal (column experiments). Although adsorption of anions traditionally decreases as pH increases, the mixed adsorbent was capable of purifying large volumes of Se(IV)-containing water (at pH 7) to reach concentrations lower than 10 μg/L, which meets the European Commission standards. The presence of sulphate and carbonate did not influence Se(IV) adsorption. However, high phosphate and silicate concentrations may have decreased the removal efficiency of Se(IV). Data from the batch and column adsorption experiments were fitted with a number of approved models, which revealed the adsorption mechanism and allowed for a comparison of the results. © 2012 Elsevier B.V.

  7. Excitation mechanism of A1g mode and origin of nonlinear temperature dependence of Raman shift of CVD-grown mono- and few-layer MoS2 films.

    Science.gov (United States)

    Yang, Tianqi; Huang, Xiaoting; Zhou, Hong; Wu, Guangheng; Lai, Tianshu

    2016-05-30

    MoS2 films are grown on SiO2/Si substrates by chemical vapor deposition. The vibrational properties of optical phonons of mono-, bi- and multilayer MoS2 are studied by Raman scattering spectroscopy over temperature range from 90 to 540 K with 514.5 nm and 785 nm lasers. The Raman peaks of E2g1 and A1g modes are observed simultaneously for mono-, bi- and multilayer MoS2 with 514.5 nm laser, but only the Raman peak of E2g1 mode is seen for monolayer MoS2 as 785 nm laser is used, revealing electron-phonon exchange excitation mechanism of A1g mode for the first time. The Raman shifts of E2g1 and A1g modes present obvious nonlinear temperature dependence. A semi-quantitative model is used to fit the nonlinear temperature dependence of Raman shifts which matches well to experimental data. Meanwhile, the fitting results reveal that the nonlinear temperature dependence of Raman shifts of E2g1 mode mainly originates from three-phonon anharmonic effect, while one of A1g mode is contributed by stronger three- and weaker four-phonon anharmonic effects cooperatively but two contributions are comparable in intensity.

  8. Selective sorption of perfluorooctane sulfonate on molecularly imprinted polymer adsorbents

    Institute of Scientific and Technical Information of China (English)

    Shubo DENG; Danmeng SHUAI; Qiang YU; Jun HUANG; Gang YU

    2009-01-01

    Perfluorooctane sulfonate (PFOS), as a potential persistent organic pollutant, has been widely detected in water environments, and has become a great concern in recent years. PFOS is very stable and difficult to decompose using conventional techniques. Sorption may be an attractive method to remove it from water. In this study, the molecularly imprinted polymer (MIP) adsorbents were prepared through the polymerization of 4-vinylpyridine under different preparation conditions in order to remove perfluorooctane sulfonate (PFOS) from water. The MIP adsorbents using perfluorooctanoic acid (PFOA) as the template had good imprinting effects and could selectively remove PFOS from aqueous solution. The sorption behaviors including sorption kinetics,isotherms, and effect of pH, salt, and competitive anions were investigated. Experimental results showed that the sorption of PFOS On the MIP adsorbents was very fast, pH-dependent, and highly selective. The achieved fast sorption equilibrium within 1 h was attributed to the surface sorption on the fine adsorbents. The sorption isotherms showed that the sorption selectivity of PFOS on the MIP adsorbents decreased at high PFOS concentrations, which may be due to the double-layer sorption and the formation of PFOS micelles on the sorbent surface. The sorption of PFOS on the MIP adsorbents was mainly dominated by the electrostatic interaction between the protonated vinylpyridine on the adsorbent surface and the anionic PFOS. The prepared MIP adsorbents can potentially be applied in water and wastewater treatment for selective removal of PFOS.

  9. Lead Removal from Water by Low Cost Adsorbents: A Review

    National Research Council Canada - National Science Library

    Zahra, Naseem

    2012-01-01

    ..., industrial wastes and low cost synthetic oxides as adsorbents for the removal of poisonous lead from water. Keywords: Adsorption; Adsorbents; Lead; Water; Toxic. Introduction Lead and its toxicity Lead has environmental importance due to its well known toxicity [1] and intensive use in industries such as storage-battery manufacture, printing, pigment ...

  10. 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 stea

  11. 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 unav

  12. Mixed-matrix membrane adsorbers for protein separation

    NARCIS (Netherlands)

    Avramescu, Maria-Elena; Borneman, Zandrie; Wessling, Matthias

    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 ethyle

  13. Adsorbed formate: the key intermediate in the oxidation of formic acid on platinum electrodes.

    Science.gov (United States)

    Cuesta, Angel; Cabello, Gema; Gutiérrez, Claudio; Osawa, Masatoshi

    2011-12-07

    The electrooxidation of formic acid on Pt and other noble metal electrodes proceeds through a dual-path mechanism, composed of a direct path and an indirect path through adsorbed carbon monoxide, a poisoning intermediate. Adsorbed formate had been identified as the reactive intermediate in the direct path. Here we show that actually it is also the intermediate in the indirect path and is, hence, the key reaction intermediate, common to both the direct and indirect paths. Furthermore, it is confirmed that the dehydration of formic acid on Pt electrodes requires adjacent empty sites, and it is demonstrated that the reaction follows an apparently paradoxical electrochemical mechanism, in which an oxidation is immediately followed by a reduction.

  14. 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.

  15. Visible Light Excitation Characteristics of Novel Infrared Up-conversion Materials

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The Fluorescence excitation spectrum, emission spectrum and infrared up-conversion luminescence excitation spectrum are measured. The results of spectrum measurement show that the electron trapping materials CaS: Eu, Sm are of visible light excitation. The mechanism of visible light excitation is analyzed.

  16. Bio-regeneration of π-complexation desulfurization adsorbents

    Institute of Scientific and Technical Information of China (English)

    LI; Wangliang; XING; Jianmin; XIONG; Xiaochao; SHAN; Guob

    2005-01-01

    The coupling of adsorption desulfurization and biodesulfurization is a new approach to produce clean fuels. Sulfur compounds are firstly adsorbed on adsorbents, and then the adsorbents are regenerated by microbial conversion. π-Complexation adsorbent, Cu(Ⅰ)-Y, was obtained by ion exchanging Y-type zeolite with Cu2+ and then by auto-reduction in helium at 450℃ for 3 h. Dibenzothiophene (DBT) was used as a model compound. The effects of cell concentration, volume of oil phase, the ratio of aqueous phase to adsorbent on DBT desorption by a bacterium were studied. The amounts of DBT desorbed and 2-HBP produced can be apparently increased with addition of n-octane. BDS activity can be improved by increasing cell concentration and the ratio of water-to-adsorbent. 89% of DBT desorbed from the adsorbents can be converted to 2-HBP within 6 h and almost 100% within 24 h, when the volume ratio of oil-to-water was 1/5 mL/mL, the cell concentration was 60 g·L-1, and the ratio of adsorbent-to-oil was 0.03 g·mL-1. The amount of 2-HBP produced was strongly dependent on the volume ratio of oil-to- water, cell concentration and amount of adsorbent. Adsorption capacity of the regenerated adsorbent is 95% that of the fresh one after being desorbed with Pseudomonas delafieldii R-8, washed with n-octane, dried at 100℃ for 24 h and auto-reduced in He.

  17. Spectroscopic observations of the displacement dynamics of physically adsorbed molecules-CO on C60

    Science.gov (United States)

    Yuan, Chunqing; Yates, John T.

    2016-10-01

    In this paper, we observed physically adsorbed CO molecules on C60 surface being displaced by impinging noble gas atoms (He, Ne, Ar, Kr), either through a dynamic displacement process or an exothermic replacement process, depending on their adsorption energies. This displacement mechanism could shift from one to the other depending on the surface coverage and temperature. Furthermore, rotational energy of the impinging molecules may also contribute to the dynamic displacement process by supplying additional energy.

  18. Photoconductivities from band states and a dissipative electron dynamics: Si(111) without and with adsorbed Ag clusters

    Energy Technology Data Exchange (ETDEWEB)

    Vazhappilly, Tijo [Departments of Chemistry and of Physics, Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States); Theoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Hembree, Robert H.; Micha, David A., E-mail: micha@qtp.ufl.edu [Departments of Chemistry and of Physics, Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States)

    2016-01-14

    A new general computational procedure is presented to obtain photoconductivities starting from atomic structures, combining ab initio electronic energy band states with populations from density matrix theory, and implemented for a specific set of materials based on Si crystalline slabs and their nanostructured surfaces without and with adsorbed Ag clusters. The procedure accounts for charge mobility in semiconductors in photoexcited states, and specifically electron and hole photomobilities at Si(111) surfaces with and without adsorbed Ag clusters using ab initio energy bands and orbitals generated from a generalized gradient functional, however with excited energy levels modified to provide correct bandgaps. Photoexcited state populations for each band and carrier type were generated using steady state solution of a reduced density matrix which includes dissipative medium effects. The present calculations provide photoexcited electronic populations and photoinduced mobilities resulting from applied electric fields and obtained from the change of driven electron energies with their electronic momentum. Extensive results for Si slabs with 8 layers, without and with adsorbed Ag clusters, show that the metal adsorbates lead to substantial increases in the photomobility and photoconductivity of electrons and holes.

  19. Mechanics

    CERN Document Server

    Hartog, J P Den

    1961-01-01

    First published over 40 years ago, this work has achieved the status of a classic among introductory texts on mechanics. Den Hartog is known for his lively, discursive and often witty presentations of all the fundamental material of both statics and dynamics (and considerable more advanced material) in new, original ways that provide students with insights into mechanical relationships that other books do not always succeed in conveying. On the other hand, the work is so replete with engineering applications and actual design problems that it is as valuable as a reference to the practicing e

  20. 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.

  1. UV excitations of halons

    Science.gov (United States)

    Stojanović, Ljiljana; Alyoubi, Abdulrahman O.; Aziz, Saadullah G.; Hilal, Rifaat H.; Barbatti, Mario

    2016-11-01

    In the present study, we examined the UV excitations of a newly introduced molecular set, Halons-9, composed of nine gaseous halon molecules. The performance of the density functional-based multi-reference configuration interaction method (DFT/MRCI) and time-dependent density functional theory with CAM-B3LYP functional (TD-CAM-B3LYP) in the computation of singlet and triplet excited states of this set was evaluated against coupled-cluster with singles and doubles (CCSD). Excited states up to the corresponding ionization limits, including both localized and delocalized excitations, have been benchmarked. TD-CAM-B3LYP significantly underestimates excitation energies of the higher mixed valence-Rydberg and Rydberg states, with computed mean absolute deviations from the equation of motion (EOM)-CCSD results 1.06 and 0.76 eV, respectively. DFT/MRCI gives a significantly better description of higher excited states, albeit still poor, compared to the TD-CAM-B3LYP. The mean absolute deviations of mixed valence-Rydberg and Rydberg states from the reference EOM-CCSD values are 0.66 and 0.47 eV, respectively. The performance of DFT/MRCI for description of strongly correlated states with valence-Rydberg mixing is still not satisfactory enough. On the other hand, oscillator strengths of most of singlet states obtained with both methods are close to the EOM-CCSD values. The largest deviations, occurring in the case of several high-lying multiconfigurational states, are of an order of magnitude.

  2. Hardness and excitation energy

    Indian Academy of Sciences (India)

    Á Nagy

    2005-09-01

    The concept of the ensemble Kohn-Sham hardness is introduced. It is shown that the first excitation energy can be given by the Kohn-Sham hardness (i.e. the energy difference of the ground-state lowest unoccupied and highest occupied levels) plus an extra term coming from the partial derivative of the ensemble exchange-correlation energy with respect to the weighting factor in the limit → 0. It is proposed that the first excitation energy can be used as a reactivity index instead of the hardness.

  3. Excitations in organic solids

    CERN Document Server

    Agranovich, Vladimir M

    2009-01-01

    During the last decade our expertise in nanotechnology has advanced considerably. The possibility of incorporating in the same nanostructure different organic and inorganic materials has opened up a promising field of research, and has greatly increased the interest in the study of properties of excitations in organic materials. In this book not only the fundamentals of Frenkel exciton and polariton theory are described, but also the electronic excitations and electronic energytransfers in quantum wells, quantum wires and quantum dots, at surfaces, at interfaces, in thin films, in multilayers,

  4. Excitation Methods for Bridge Structures

    Energy Technology Data Exchange (ETDEWEB)

    Farrar, C.R.; Duffy, T.A.; Cornwell, P.J.; Doebling, S.W.

    1999-02-08

    This paper summarizes the various methods that have been used to excited bridge structures during dynamic testing. The excitation methods fall into the general categories of ambient excitation methods and measured-input excitation methods. During ambient excitation the input to the bridge is not directly measured. In contrast, as the category label implies, measured-input excitations are usually applied at a single location where the force input to the structure can be monitored. Issues associated with using these various types of measurements are discussed along with a general description of the various excitation methods.

  5. Molecular structures and excited states of CpM(CO)(2) (Cp = eta(5)-C(5)H(5); M = Rh, Ir) and [Cl(2)Rh(CO)(2)](-). Theoretical evidence for a competitive charge transfer mechanism.

    Science.gov (United States)

    Hu, Zhenming; Boyd, Russell J; Nakatsuji, Hiroshi

    2002-03-20

    Molecular structures and excited states of CpM(CO)(2) (Cp = eta(5)-C(5)H(5); M = Rh, Ir) and [Cl(2)Rh(CO)(2)](-) complexes have been investigated using the B3LYP and the symmetry-adapted cluster (SAC)/SAC-configuration interaction (SAC-CI) theoretical methods. All the dicarbonyl complexes have singlet ground electronic states with large singlet-triplet separations. Thermal dissociations of CO from the parent dicarbonyls are energetically unfavorable. CO thermal dissociation is an activation process for [Cl(2)Rh(CO)(2)](-) while it is a repulsive potential for CpM(CO)(2). The natures of the main excited states of CpM(CO)(2) and [Cl(2)Rh(CO)(2)](-) are found to be quite different. For [Cl(2)Rh(CO)(2)](-), all the strong transitions are identified to be metal to ligand CO charge transfer (MLCT) excitations. A significant feature of the excited states of CpM(CO)(2) is that both MLCT excitation and a ligand Cp to metal and CO charge transfer excitation are strongly mixed in the higher energy states with the latter having the largest oscillator strength. A competitive charge transfer excited state has therefore been identified theoretically for CpRh(CO)(2) and CpIr(CO)(2). The wavelength dependence of the quantum efficiencies for the photoreactions of CpM(CO)(2) reported by Lees et al. can be explained by the existence of two different types of excited states. The origin of the low quantum efficiencies for the C-H/S-H bond activations of CpM(CO)(2) can be attributed to the smaller proportion of the MLCT excitation in the higher energy states.

  6. 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.

  7. Methane Recovery from Gaseous Mixtures Using Carbonaceous Adsorbents

    Science.gov (United States)

    Buczek, Bronisław

    2016-06-01

    Methane recovery from gaseous mixtures has both economical and ecological aspect. Methane from different waste gases like mine gases, nitrogenated natural gases and biogases can be treated as local source for production electric and heat energy. Also occurs the problem of atmosphere pollution with methane that shows over 20 times more harmful environmental effect in comparison to carbon dioxide. One of the ways utilisation such gases is enrichment of methane in the PSA technique, which requires appropriate adsorbents. Active carbons and carbon molecular sieve produced by industry and obtained in laboratory scale were examined as adsorbent for methane recuperation. Porous structure of adsorbents was investigated using densimetry measurements and adsorption of argon at 77.5K. On the basis of adsorption data, the Dubinin-Radushkevich equation parameters, micropore volume (Wo) and characteristics of energy adsorption (Eo) as well as area micropores (Smi) and BET area (SBET) were determined. The usability of adsorbents in enrichment of the methane was evaluated in the test, which simulate the basic stages of PSA process: a) adsorbent degassing, b) pressure raise in column by feed gas, c) cocurrent desorption with analysis of out flowing gas. The composition of gas phase was accepted as the criterion of the suitability of adsorbent for methane separation from gaseous mixtures. The relationship between methane recovery from gas mixture and texture parameters of adsorbents was found.

  8. Effects of abnormal excitation on the dynamics of spiral waves

    Science.gov (United States)

    Min-Yi, Deng; Xue-Liang, Zhang; Jing-Yu, Dai

    2016-01-01

    The effect of physiological and pathological abnormal excitation of a myocyte on the spiral waves is investigated based on the cellular automaton model. When the excitability of the medium is high enough, the physiological abnormal excitation causes the spiral wave to meander irregularly and slowly. When the excitability of the medium is low enough, the physiological abnormal excitation leads to a new stable spiral wave. On the other hand, the pathological abnormal excitation destroys the spiral wave and results in the spatiotemporal chaos, which agrees with the clinical conclusion that the early after depolarization is the pro-arrhythmic mechanism of some anti-arrhythmic drugs. The mechanisms underlying these phenomena are analyzed. Project supported by the National Natural Science Foundation of China (Grant Nos. 11365003 and 11165004).

  9. Novel adhesive properties of poly(ethylene-oxide) adsorbed nanolayers

    Science.gov (United States)

    Zeng, Wenduo

    Solid-polymer interfaces play crucial roles in the multidisciplinary field of nanotechnology and are the confluence of physics, chemistry, biology, and engineering. There is now growing evidence that polymer chains irreversibly adsorb even onto weakly attractive solid surfaces, forming a nanometer-thick adsorbed polymer layer ("adsorbed polymer nanolayers"). It has also been reported that the adsorbed layers greatly impact on local structures and properties of supported polymer thin films. In this thesis, I aim to clarify adhesive and tribological properties of adsorbed poly(ethylene-oxide) (PEO) nanolayers onto silicon (Si) substrates, which remain unsolved so far. The adsorbed nanolayers were prepared by the established protocol: one has to equilibrate the melt or dense solution against a solid surface; the unadsorbed chains can be then removed by a good solvent, while the adsorbed chains are assumed to maintain the same conformation due to the irreversible freezing through many physical solid-segment contacts. I firstly characterized the formation process and the surface/film structures of the adsorbed nanolayers by using X-ray reflectivity, grazing incidence X-ray diffraction, and atomic force microscopy. Secondly, to compare the surface energy of the adsorbed layers with the bulk, static contact angle measurements with two liquids (water and glycerol) were carried out using a optical contact angle meter equipped with a video camera. Thirdly, I designed and constructed a custom-built adhesion-testing device to quantify the adhesive property. The experimental results provide new insight into the microscopic structure - macroscopic property relationship at the solid-polymer interface.

  10. Fuzzballs with internal excitations

    Energy Technology Data Exchange (ETDEWEB)

    Kanitscheider, Ingmar; Skenderis, Kostas; Taylor, Marika [Institute for Theoretical Physics, University of Amsterdam, Valckenierstraat 65, 1018XE Amsterdam (Netherlands)

    2007-06-15

    We construct general 2-charge D1-D5 horizon-free non-singular solutions of IIB supergravity on T{sup 4} and K3 describing fuzzballs with excitations in the internal manifold; these excitations are characterized by arbitrary curves. The solutions are obtained via dualities from F1-P solutions of heterotic and type IIB on T{sup 4} for the K3 and T{sup 4} cases, respectively. We compute the holographic data encoded in these solutions, and show that the internal excitations are captured by vevs of chiral primaries associated with the middle cohomology of T{sup 4} or K3. We argue that each geometry is dual to a specific superposition of R ground states determined in terms of the Fourier coefficients of the curves defining the supergravity solution. We compute vevs of chiral primaries associated with the middle cohomology and show that they indeed acquire vevs in the superpositions corresponding to fuzzballs with internal excitations, in accordance with the holographic results. We also address the question of whether the fuzzball program can be implemented consistently within supergravity.

  11. Decoherence at constant excitation

    Science.gov (United States)

    Torres, J. M.; Sadurní, E.; Seligman, T. H.

    2012-02-01

    We present a simple exactly solvable extension of the Jaynes-Cummings model by adding dissipation. This is done such that the total number of excitations is conserved. The Liouville operator in the resulting master equation can be reduced to blocks of 4×4 matrices.

  12. Decoherence at constant excitation

    CERN Document Server

    Torres, Juan Mauricio; Seligman, Thomas H

    2011-01-01

    We present a simple exactly solvable extension of of the Jaynes-Cummings model by adding dissipation. This is done such that the total number of excitations is conserved. The Liouville operator in the resulting master equation can be reduced to blocks of $4\\times 4$ matrices.

  13. Positron excitation of neon

    Science.gov (United States)

    Parcell, L. A.; Mceachran, R. P.; Stauffer, A. D.

    1990-01-01

    The differential and total cross section for the excitation of the 3s1P10 and 3p1P1 states of neon by positron impact were calculated using a distorted-wave approximation. The results agree well with experimental conclusions.

  14. [Study on LDL adsorbent modified by lauric acid].

    Science.gov (United States)

    Cong, Haixia; Du, Longbing; Fang, Bo; You, Chao

    2010-06-01

    A hydrophobic low-density lipoprotein cholesterol (LDL-C) adsorbent was synthesized with lauric acid and chitosan. The condition for adsorption was obtained by investigating the influence of adsorbent amount and adsorption time. The results of adsorption in vitro showed that the average adsorption rates for total cholesterol (TC), LDL-C, high-density lipoprotein cholesterol (HDL-C) and total protein (TP) were 47.7%, 84.7%, 18.1% and 5.9% respectively. The adsorbent possesses good selectivity in removing LDL-C.

  15. Preparation and Characterization of Impurely Irrigated Soil Adsorbent from Beaches

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    [Objective]We aimed to study the preparation methods of impurely irrigated soil adsorbent from beaches,as well as its ability to absorb phenol.[Method]Using hydrochloric acid as activator,we compared the influences of various soil adsorbents on the adsorption of phenol through the desired orthogonal tests where the usage of saw dust,concentration of hydrochloric acid,liquid-solid ratio and carbonization temperature varied.Afterwards,we characterized this soil adsorbent.[Result]The optimal conditions for pre...

  16. The Electrochemical Properties of Thionine Adsorbed Monolayer on Gold Electrode

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A gold electrode modified with adsorbed thionine monolayer was investigated with ac impedance and cyclic voltammetry method. It was found therewere some different redox properties for the adsorbed thionine depended on the different potential scanning rate. At the slower potential scanning rate (10 mV@s-1), the dimer of thionine appeared and possessed the catalytic activity for the oxidation of ascorbic acid.The underpotential deposition (UPD) and the bulk deposition of Cu2+ were also employed to investigate the monolayer of adsorbed thionine.

  17. DESORPTION OF VOCs FROM POLYMERIC ADSORBENTS UNDER MICROWAVE FIELD

    Institute of Scientific and Technical Information of China (English)

    LIXiang; LIZhong; 等

    2001-01-01

    Desorption of volatile organic compounds(VOCs) from polymeric adsorbents by microwave was investigated experimentally.Two kinds of organic compounds.benzene and toluene.were separately used as adsorbates in this work Results showed that the application of microwave to regenerate the polymeric adsorbents not only can get higher regeneration efficiency in comparison with the use of heat regeneration,but also make the temperatures of the fixed beds much lower than that when using the heat regeneration the weaker the polarity of a polymericadsorbent,the easier its regeneration was.

  18. Lithium. Effects on excitable cell membranes

    NARCIS (Netherlands)

    Ploeger, Egbert Johan

    1974-01-01

    LITHIUM: Effects on excitable cell membranes. Lithium salts have been used in the treatment of manic-depressive psychosis for many years but their mechanism of action is not well understood. Many workers assume that the action of lithium on catecholamine metabolism and/or on electrolyte distribution

  19. Photothermal excitation setup for a modified commercial atomic force microscope

    Energy Technology Data Exchange (ETDEWEB)

    Adam, Holger; Rode, Sebastian; Schreiber, Martin; Kühnle, Angelika, E-mail: kuehnle@uni-mainz.de [Institute of Physical Chemistry, Johannes Gutenberg University Mainz, Duesbergweg 10-14, 55099 Mainz (Germany); Kobayashi, Kei; Yamada, Hirofumi [Department of Electronic Science and Engineering, Kyoto University, Katsura, Nishikyo, Kyoto 615-8510 (Japan)

    2014-02-15

    High-resolution imaging in liquids using frequency modulation atomic force microscopy is known to suffer from additional peaks in the resonance spectrum that are unrelated to the cantilever resonance. These unwanted peaks are caused by acoustic modes of the liquid and the setup arising from the indirect oscillation excitation by a piezoelectric transducer. Photothermal excitation has been identified as a suitable method for exciting the cantilever in a direct manner. Here, we present a simple design for implementing photothermal excitation in a modified Multimode scan head from Bruker. Our approach is based on adding a few components only to keep the modifications as simple as possible and to maintain the low noise level of the original setup with a typical deflection noise density of about 15 fm/√(Hz) measured in aqueous solution. The success of the modification is illustrated by a comparison of the resonance spectra obtained with piezoelectric and photothermal excitation. The performance of the systems is demonstrated by presenting high-resolution images on bare calcite in liquid as well as organic adsorbates (Alizarin Red S) on calcite with simultaneous atomic resolution of the underlying calcite substrate.

  20. Final Report of a CRADA Between Pacific Northwest National Laboratory and the Ford Motor Company (CRADA No. PNNL/265): “Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials”

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Feng; Kwak, Ja Hun; Lee, Jong H.; Tran, Diana N.; Peden, Charles HF; Howden, Ken; Cheng, Yisun; Lupescu, Jason; Cavattaio, Giovanni; Lambert, Christine; McCabe, Robert W.

    2013-02-14

    Reducing NOx emissions and particulate matter (PM) are primary concerns for diesel vehicles required to meet current LEV II and future LEV III emission standards which require 90+% NOx conversion. Currently, urea SCR as the NOx reductant and a Catalyzed Diesel Particulate Filter (CDPF) are being used for emission control system components by Ford Motor Company for 2010 and beyond diesel vehicles. Because the use of this technology for vehicle applications is new, the relative lack of experience makes it especially challenging to satisfy durability requirements. Of particular concern is being able to realistically simulate actual field aging of the catalyst systems under laboratory conditions. This is necessary both as a rapid assessment tool for verifying improved performance and certifiability of new catalyst formulations, and to develop a good understanding of deactivation mechanisms that can be used to develop improved catalyst materials. In addition to NOx and PM, the hydrocarbon (HC) emission standards are expected to become much more stringent during the next few years. Meanwhile, the engine-out HC emissions are expected to increase and/or be more difficult to remove. Since HC can be removed only when the catalyst becomes warm enough for its oxidation, three-way catalyst (TWC) and diesel oxidation catalyst (DOC) formulations often contain proprietary zeolite materials to hold the HC produced during the cold start period until the catalyst reaches its operating temperature (e.g., >200°C). Unfortunately, much of trapped HC tends to be released before the catalyst reaches the operating temperature. Among materials effective for trapping HC during the catalyst warm-up period, siliceous zeolites are commonly used because of their high surface area and high stability under typical operating conditions. However, there has been little research on the physical properties of these materials related to the adsorption and release of various hydrocarbon species found in

  1. Excited States in Solution through Polarizable Embedding

    DEFF Research Database (Denmark)

    Olsen, Jógvan Magnus; Aidas, Kestutis; Kongsted, Jacob

    2010-01-01

    functional theory which we denote the PE-DFT method. It has been implemented in combination with time-dependent quantum mechanical linear and nonlinear response techniques, thus allowing for assessment of electronic excitation processes and dynamic ground- and excited-state molecular properties using......We present theory and implementation of an advanced quantum mechanics/molecular mechanics (QM/MM) approach using a fully self-consistent polarizable embedding (PE) scheme. It is a polarizable layered model designed for effective yet accurate inclusion of an anisotropic medium in a quantum...... mechanical calculation. The polarizable embedding potential is described by an atomistic representation including terms up to localized octupoles and anisotropic polarizabilities. It is generally applicable to any quantum chemical description but is here implemented for the case of Kohn−Sham density...

  2. Radiation synthesis of a new amidoximated UHMWPE fibrous adsorbent with high adsorption selectivity for uranium over vanadium in simulated seawater

    Science.gov (United States)

    Gao, Qianhong; Hu, Jiangtao; Li, Rong; Xing, Zhe; Xu, Lu; Wang, Mouhua; Guo, Xiaojing; Wu, Guozhong

    2016-05-01

    A new kind of highly efficient adsorbent material has been fabricated in this study for the purpose of extracting uranium from seawater. Ultra-high molecular weight polyethylene (UHMWPE) fiber was used as a trunk material for the adsorbent, which was prepared by a series of modification reactions, as follows: (1) grafting of glycidyl methacrylate (GMA) and methyl acrylate (MA) onto UHMWPE fibers via 60Co γ-ray pre-irradiation; (2) aminolyzation of UHMWPE fiber by the ring-opening reaction between of epoxy groups PGMA and ethylene diamine (EDA); (3) Michael addition of amino groups with acrylonitrile (AN) to yield nitrile groups; (4) amidoximation of the attached nitrile moieties by hydroxylamine in dimethyl sulfoxide-water mixture. Modified UHMWPE fibers were characterized by means of attenuated total reflectance-Fourier transformed infrared spectroscopy (ATR-FTIR), thermogravimetric analysis (TGA) and scanning electron microscopy (SEM) to confirm the attachment of amidoxime (AO) groups onto the UHMWPE fibers. The results of X-ray diffraction (XRD) and single fiber tensile strength verified that the modified UHMWPE fiber retained excellent mechanical properties at a low absorbed radiation dose. The adsorption performance of the UHMWPE fibrous adsorbent was evaluated by subjecting it to an adsorption test in simulated seawater using a continuous-flow mode. The amount of uranium adsorbed by this AO-based UHMWPE fibrous adsorbent was 1.97 mg-U/g after 42 days. This new adsorbent also showed high selectivity for the uranyl ion, and its selectivity for metal ions was found to decrease in the following order: U>Cu>Fe>Ca>Mg>Ni>Zn>Pb>V>Co. The adsorption selectivity for uranium is significantly higher than that for vanadium. In addition, preparation of this modified adsorbent consumes much smaller amounts of the toxic acrylonitrile monomer than the conventional preparation methods of AO-based polyethylene fibers.

  3. Role of specific amine surface configurations for grafted surfaces: implications for nanostructured CO2 adsorbents.

    Science.gov (United States)

    Shimizu, Steven; Song, Changsik; Strano, Michael

    2011-03-15

    Amine-grafted porous materials that capture CO2 from emission streams have been considered to be potential alternatives to the more energy-intensive liquid amine systems currently employed. An underappreciated fact in the uptake mechanism of these materials is that under dry, anhydrous conditions each CO2 molecule must react with two adjacent amine groups to adsorb onto the surface, which makes the configuration of amine groups on the surface critically important. Using this chemical mechanism, we developed a semiempirical adsorption isotherm equation that allows straightforward computation of the adsorption isotherm from an arbitrary surface configuration of grafted amines for honeycomb, square, and triangular lattices. The model makes use of the fact that the distribution of amines with respect to the number of nearest neighbors, referred to as the z-histogram, along with the amine loading and equilibrium constant, uniquely determine the adsorption characteristics to a very good approximation. This model was used to predict the range of uptakes possible just through surface configuration, and it was used to fit experimental data in the literature to give a meaningful equilibrium constant and show how efficiently amines were utilized. We also demonstrate how the model can be utilized to design more efficient nanostructured adsorbents and polymer-based adsorbents. Recommendations for exploiting the role of surface configuration include the use of linear instead of branched polyamines, higher amine grafting densities, the use of flexible, less bulky, long, and rotationally free amine groups, and increased silanol densities.

  4. 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.

  5. Microwave-assisted regeneration of hypercrosslinked polymeric adsorbent saturated with nitrophenols

    Institute of Scientific and Technical Information of China (English)

    HAN Yong-zhong; JIANG Li-yu; CHEN Jin-long; ZHANG Quan-xing

    2006-01-01

    Thermal regeneration ofhypercrosslinked polymeric adsorbent (HPA) was performed at 67℃. Experiments were carried out using a multimode microwave oven operating at 2450 MHz and a thermostatic water bath so as to compare the effect of the different heating mechanisms on the regeneration efficiency of the HPA saturated with nitrophenols. The temperature rise action of the heterogeneous regeneration system under microwave irradiation was described. Additionally, a complete structure and chemical characterization of the regenerated HPA was also carried out in order to study the influence of the subsequent regeneration cycles on the structure and the adsorption capacities of the adsorbents. Structure characterization of the regenerated HPA was accomplished by means of the analysis of FTIR spectra.

  6. ADSORPTION OF CAFFEINE BY HYDROGEN DONATING ADSORBENTS BASED ON HYDROGEN BONDING

    Institute of Scientific and Technical Information of China (English)

    XUMancai; SHIZuoqing; 等

    2000-01-01

    The adsorption isotherms of caffeine from aqueous solution onto three hydrogen donating adsorbents-hydroxypolystyrene,polystryene-azo-pyrogallol,and D72 resin-were measured.The adsorption enthalpies calculated from the isotherms according to the Clausisu-Clapeyron equation were -24-36kJ/mol,-32-37kJ/mol,and -19-24kJ/mol respectively.These values implied that the adsorption processes were based on hydrogen bonding.Furthermore.the mechanism of the adsorption of caffeine onto D72 resin was studied by IR spectra and the small molecular model experiments,and the results showed that the adsorption of caffeine onto hydrogen donating adsorbents was based on hydrogen bonding.

  7. Arsenic Adsorption from Water Using Graphene-Based Materials as Adsorbents: a Critical Review

    Science.gov (United States)

    Yang, Xuetong; Xia, Ling; Song, Shaoxian

    2017-07-01

    Adsorption is widely applied to remove arsenic from water. This paper reviewed and compared the recent progresses on the arsenic removal by adsorption using two-dimensional and three-dimensional graphene-based materials as adsorbents. Functional graphene sheet achieved the largest As(III) adsorption capacity of 138.79mg/g, while Mg-Al LDH/GO2 showed the largest As(V) adsorption capacity of 183.11mg/g. Parameters including pH, temperature, co-existing ions and loaded metal or metal oxide affected the adsorption process. The adsorption mechanisms of graphene-based materials for As(III) and As(V) could be explained by surface complexation and the electrostatic attraction, respectively. Future works are suggested to focus on regenerating of two-dimensional graphene-based adsorbents and developing the three-dimensional with large specific surface area and better adsorption performance.

  8. Removal of molecular adsorbates on gold nanoparticles using sodium borohydride in water.

    Science.gov (United States)

    Ansar, Siyam M; Ameer, Fathima S; Hu, Wenfang; Zou, Shengli; Pittman, Charles U; Zhang, Dongmao

    2013-03-13

    The mechanism of sodium borohydride removal of organothiols from gold nanoparticles (AuNPs) was studied using an experimental investigation and computational modeling. Organothiols and other AuNP surface adsorbates such as thiophene, adenine, rhodamine, small anions (Br(-) and I(-)), and a polymer (PVP, poly(N-vinylpyrrolidone)) can all be rapidly and completely removed from the AuNP surfaces. A computational study showed that hydride derived from sodium borohydride has a higher binding affinity to AuNPs than organothiols. Thus, it can displace organothiols and all the other adsorbates tested from AuNPs. Sodium borohydride may be used as a hazard-free, general-purpose detergent that should find utility in a variety of AuNP applications including catalysis, biosensing, surface enhanced Raman spectroscopy, and AuNP recycle and reuse.

  9. Ground-state charge transfer as a mechanism for surface-enhanced Raman scattering

    Science.gov (United States)

    Lippitsch, Max E.

    1984-03-01

    A model is presented for the contribution of ground-state charge transfer between a metal and adsorbate to surface-enhanced Raman scattering (SERS). It is shown that this contribution can be understood using the vibronic theory for calculating Raman intensities. The enhancement is due to vibronic coupling of the molecular ground state to the metal states, the coupling mechanism being a modulation of the ground-state charge-transfer energy by the molecular vibrations. An analysis of the coupling operator gives the selection rules for this process, which turn out to be dependent on the overall symmetry of the adsorbate-metal system, even if the charge transfer is small enough for the symmetry of the adsorbate to remain the same as that of the free molecule. It is shown that the model can yield predictions on the properties of SERS, e.g., specificity to adsorption geometry, appearance of forbidden bands, dependence on the applied potential, and dependence on the excitation wavelength. The predictions are in good agreement with experimental results. It is also deduced from this model that in many cases atomic-scale roughness is a prerequisite for the observation of SERS. A result on the magnitude of the enhancement can only be given in a crude approximation. Although in most cases an additional electromagnetic enhancement seems to be necessary to give an observable signal, this charge-transfer mechanism should be important in many SERS systems.

  10. Application of a high density adsorbent in expanded bed adsorption ...

    African Journals Online (AJOL)

    PRECIOUS

    2010-01-11

    Jan 11, 2010 ... The high density of the adsorbent allowed the EBA to be operated at linear velocity as high as 657 cm/h ... through precipitation and even dialyzed before sample ... In EBA process, upward fluidized stationary phase with.

  11. Low Pressure Adsorbent for Recovery & Storage Vented Hydrogen Project

    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....

  12. Sol-Gel Synthesized Adsorbents for Metal Separation

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A series of organo-ceramic adsorbents have been synthesized by a sol-gel processing technique for metal ion extraction. These adsorbents generally have significantly high metal uptake capacities, good physical-chemical stabilities, and well-designed pore geometries compared to other pre-existing metalchelating ceramic-based adsorbents. This work describes the synthesis and evaluation of pyrazole and calix[4]arene crown adsorbents for selective separation of platinum, palladium, and gold and cesium ions,respectively, from solutions. These materials exhibit mesoporous properties with high surface areas and pore volumes. The sol-gel synthesis starting with precursor silanes and titania results in gel particles of desired pore characteristics and high capacity and stability. Characterization studies, such as adsorption isotherms, breakthrough curves for fixed bed operation, and material stability, show promising results for applications to metal sepation.

  13. Structure and properties of carbonaceous adsorbents obtained from furanformolites

    Energy Technology Data Exchange (ETDEWEB)

    Pokonova, Y.B.; Oleinik, M.S.; Proskuryakov, V.A.

    1982-12-10

    We have shown previously (1) that a new copolycondensate based on petroleum residues -- fuaranformolite -- is a valuable carbon-containing raw material by the use of which carbonaceous adsorbents have been obtained. The latter can be used as catalysts and catalyst supports and also for the fine purification and separation of gases. The present paper is devoted to the study of the porous structure and sorption characteristics of the adsorbents obtained. High-strength carbonaceous adsorbents obtained from new copolymers of asphaltite -- fuaranformolites may, depending on the degree of burn-off, be used for the adsorption of poorly sorbed gases, of vapors of organic solvents, and of substances from solution. By varying the composition of the copolymer it is possible to direct the formation of the porous structure of the adsorbents in a desired manner.

  14. A NOVEL METAL CHELATE AFFINITY ADSORBENT FOR PROTEIN UPTAKE

    Institute of Scientific and Technical Information of China (English)

    WANGYongjian; BAIShu; 等

    2001-01-01

    In this article,a spherical chitosan gel crosslinked by epichlorohydrin was prepared.It was then loaded with copper ions to produce a metal chelate affinity adsorbent for protein.The uptake of bovine serum albumin(BSA)by the affinity adsorbent was investigated.and the adsorption capacity for BSA as high as 40mg/g-wet beads was observed.The adsorption equilibrium data was well correlated by the Langmuir equation.The adsorption was considerably affected by pH.In additio.The amount of BSA adsorbed onto the beads decreased with the increasing of aqueous phase ionic strength,so adsorbed BAS can be desorbed by adjusting pH orionic strength of the solution.

  15. 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.

  16. 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.

  17. Oil palm biomass as an adsorbent for heavy metals.

    Science.gov (United States)

    Vakili, Mohammadtaghi; Rafatullah, Mohd; Ibrahim, Mahamad Hakimi; Abdullah, Ahmad Zuhairi; Salamatinia, Babak; Gholami, Zahra

    2014-01-01

    Many industries discharge untreated wastewater into the environment. Heavy metals from many industrial processes end up as hazardous pollutants of wastewaters.Heavy metal pollution has increased in recent decades and there is a growing concern for the public health risk they may pose. To remove heavy metal ions from polluted waste streams, adsorption processes are among the most common and effective treatment methods. The adsorbents that are used to remove heavy metal ions from aqueous media have both advantages and disadvantages. Cost and effectiveness are two of the most prominent criteria for choosing adsorbents. Because cost is so important, great effort has been extended to study and find effective lower cost adsorbents.One class of adsorbents that is gaining considerable attention is agricultural wastes. Among many alternatives, palm oil biomasses have shown promise as effective adsorbents for removing heavy metals from wastewater. The palm oil industry has rapidly expanded in recent years, and a large amount of palm oil biomass is available. This biomass is a low-cost agricultural waste that exhibits, either in its raw form or after being processed, the potential for eliminating heavy metal ions from wastewater. In this article, we provide background information on oil palm biomass and describe studies that indicate its potential as an alternative adsorbent for removing heavy metal ions from wastewater. From having reviewed the cogent literature on this topic we are encouraged that low-cost oil-palm-related adsorbents have already demonstrated outstanding removal capabilities for various pollutants.Because cost is so important to those who choose to clean waste streams by using adsorbents, the use of cheap sources of unconventional adsorbents is increasingly being investigated. An adsorbent is considered to be inexpensive when it is readily available, is environmentally friendly, is cost-effective and be effectively used in economical processes. The

  18. Metal-specific interactions of H2 adsorbed within isostructural metal-organic frameworks.

    Science.gov (United States)

    FitzGerald, Stephen A; Burkholder, Brian; Friedman, Michael; Hopkins, Jesse B; Pierce, Christopher J; Schloss, Jennifer M; Thompson, Benjamin; Rowsell, Jesse L C

    2011-12-21

    Diffuse reflectance infrared (IR) spectroscopy performed over a wide temperature range (35-298 K) is used to study the dynamics of H(2) adsorbed within the isostructural metal-organic frameworks M(2)L (M = Mg, Mn, Co, Ni and Zn; L = 2,5-dioxidobenzene-1,4-dicarboxylate) referred to as MOF-74 and CPO-27. Spectra collected at H(2) concentrations ranging from 0.1 to 3.0 H(2) per metal cation reveal that strongly red-shifted vibrational modes arise from isolated H(2) bound to the available metal coordination site. The red shift of the bands associated with this site correlate with reported isosteric enthalpies of adsorption (at small surface coverage), which in turn depend on the identity of M. In contrast, the bands assigned to H(2) adsorbed at positions >3 Å from the metal site exhibit only minor differences among the five materials. Our results are consistent with previous models based on neutron diffraction data and independent IR studies, but they do not support a recently proposed adsorption mechanism that invokes strong H(2)···H(2) interactions (Nijem et al. J. Am. Chem. Soc.2010, 132, 14834-14848). Room temperature IR spectra comparable to those on which the recently proposed adsorption mechanism was based were only reproduced after contaminating the adsorbent with ambient air. Our interpretation that the uncontaminated spectral features result from stepwise adsorption at discrete framework sites is reinforced by systematic red shifts of adsorbed H(2) isotopologues and consistencies among overtone bands that are well-described by the Buckingham model of molecular interactions in vibrational spectroscopy. © 2011 American Chemical Society

  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. Plant waste materials from restaurants as the adsorbents for dyes

    OpenAIRE

    Pavlović Marija D.; Nikolić Ivan R.; Milutinović Milica D.; Dimitrijević-Branković Suzana I.; Šiler-Marinković Slavica S.; Antonović Dušan G.

    2015-01-01

    This paper has demonstrated the valorization of inexpensive and readily available restaurant waste containing most consumed food and beverage residues as adsorbents for methylene blue dye. Coffee, tea, lettuce and citrus waste have been utilized without any pre-treatment, thus the adsorption capacities and dye removal efficiency were determined. Coffee waste showed highest adsorbent capacity, followed by tea, lettuce and citrus waste. The dye removal was mo...

  1. Effect of Polarity of Activated Carbon Surface, Solvent and Adsorbate on Adsorption of Aromatic Compounds from Liquid Phase.

    Science.gov (United States)

    Goto, Tatsuru; Amano, Yoshimasa; Machida, Motoi; Imazeki, Fumio

    2015-01-01

    In this study, introduction of acidic functional groups onto a carbon surface and their removal were carried out through two oxidation methods and outgassing to investigate the adsorption mechanism of aromatic compounds which have different polarity (benzene and nitrobenzene). Adsorption experiments for these aromatics in aqueous solution and n-hexane solution were conducted in order to obtain the adsorption isotherms for commercial activated carbon (BAC) as a starting material, its two types of oxidized BAC samples (OXs), and their outgassed samples at 900 °C (OGs). Adsorption and desorption kinetics of nitrobenzene for the BAC, OXs and OGs in aqueous solution were also examined. The results showed that the adsorption of benzene molecules was significantly hindered by abundant acidic functional groups in aqueous solution, whereas the adsorbed amount of nitrobenzene on OXs gradually increased as the solution concentration increased, indicating that nitrobenzene can adsorb favourably on a hydrophilic surface due to its high dipole moment, in contrast to benzene. In n-hexane solution, it was difficult for benzene to adsorb on any sample owing to the high affinity between benzene and n-hexane solvent. On the other hand, adsorbed amounts of nitrobenzene on OXs were larger than those of OGs in n-hexane solution, implying that nitrobenzene can adsorb two adsorption sites, graphene layers and surface acidic functional groups. The observed adsorption and desorption rate constants of nitrobenzene on the OXs were lower than those on the BAC due to disturbance of diffusion by the acidic functional groups.

  2. Valorization of solid waste products from olive oil industry as potential adsorbents for water pollution control--a review.

    Science.gov (United States)

    Bhatnagar, Amit; Kaczala, Fabio; Hogland, William; Marques, Marcia; Paraskeva, Christakis A; Papadakis, Vagelis G; Sillanpää, Mika

    2014-01-01

    The global olive oil production for 2010 is estimated to be 2,881,500 metric tons. The European Union countries produce 78.5% of the total olive oil, which stands for an average production of 2,136,000 tons. The worldwide consumption of olive oil increased of 78% between 1990 and 2010. The increase in olive oil production implies a proportional increase in olive mill wastes. As a consequence of such increasing trend, olive mills are facing severe environmental problems due to lack of feasible and/or cost-effective solutions to olive-mill waste management. Therefore, immediate attention is required to find a proper way of management to deal with olive mill waste materials in order to minimize environmental pollution and associated health risks. One of the interesting uses of solid wastes generated from olive mills is to convert them as inexpensive adsorbents for water pollution control. In this review paper, an extensive list of adsorbents (prepared by utilizing different types of olive mill solid waste materials) from vast literature has been compiled, and their adsorption capacities for various aquatic pollutants removal are presented. Different physicochemical methods that have been used to convert olive mill solid wastes into efficient adsorbents have also been discussed. Characterization of olive-based adsorbents and adsorption mechanisms of various aquatic pollutants on these developed olive-based adsorbents have also been discussed in detail. Conclusions have been drawn from the literature reviewed, and suggestions for future research are proposed.

  3. Low concentration CO2 capture using physical adsorbents: Are Metal-Organic Frameworks becoming the new benchmark materials?

    KAUST Repository

    Belmabkhout, Youssef

    2016-03-30

    The capture and separation of traces and concentrated CO2 from important commodities such as CH4, H2, O2 and N2, is becoming important in many areas related to energy security and environmental sustainability. While trace CO2 concentration removal applications have been modestly studied for decades, the spike in interest in the capture of concentrated CO2 was motivated by the need for new energy vectors to replace highly concentrated carbon fuels and the necessity to reduce emissions from fossil fuel-fired power plants. CO2 capture from various gas streams, at different concentrations, using physical adsorbents, such as activated carbon, zeolites, and metal-organic frameworks (MOFs), is attractive. However, the adsorbents must be designed with consideration of many parameters including CO2 affinity, kinetics, energetics, stability, capture mechanism, in addition to cost. Here, we perform a systematic analysis regarding the key technical parameters that are required for the best CO2 capture performance using physical adsorbents. We also experimentally demonstrate a suitable material model of Metal Organic Framework as advanced adsorbents with unprecedented properties for CO2 capture in a wide range of CO2 concentration. These recently developed class of MOF adsorbents represent a breakthrough finding in the removal of traces CO2 using physical adsorption. This platform shows colossal tuning potential for more efficient separation agents.

  4. High Frequency Chandler Wobble Excitation

    Science.gov (United States)

    Seitz, F.; Stuck, J.; Thomas, M.

    2003-04-01

    Variations of Earth rotation on sub-daily to secular timescales are caused by mass redistributions in the Earth system as a consequence of geophysical processes and gravitational influences. Forced oscillations of polar motion are superposed by free oscillations of the Earth, i.e. the Chandler wobble and the free core nutation. In order to study the interactions between externally induced polar motion and the Earth's free oscillations, a non-linear gyroscopic model has been developed. In most of the former investigations on polar motion, the Chandler wobble is introduced as a damped oscillation with predetermined frequency and amplitude. However, as the effect of rotational deformation is a backcoupling mechanism of polar motion on the Earth's rotational dynamics, both period and amplitude of the Chandler wobble are time-dependent when regarding additional excitations from, e.g., atmospheric or oceanic mass redistributions. The gyroscopic model is free of any explicit information concerning amplitude, phase, and period of free oscillations. The characteristics of the Earth's free oscillation is reproduced by the model from rheological and geometrical parameters and rotational deformation is taken into account. This enables to study the time variable Chandler oscillation when the gyro is forced with atmospheric and oceanic angular momentum from the global atmospheric ECHAM3-T21 general circulation model together with the ocean model for circulation and tides OMCT driven by ECHAM including surface pressure. Besides, mass redistributions in the Earth's body due to gravitational and loading deformations are regarded and external torques exerted by Moon and Sun are considered. The numerical results of the gyro are significantly related with the geodetically observed time series of polar motion published by the IERS. It is shown that the consistent excitation is capable to counteract the damping and thus to maintain the Chandler amplitude. Spectral analyses of the ECHAM

  5. Microscopic studies of defect formation under dense electronic excitation in insulators

    Energy Technology Data Exchange (ETDEWEB)

    Tanimura, Katsumi; Itoh, Noriaki

    1988-05-01

    Current experimental studies carried out to elucidate the lattice relaxation that occurs under dense electronic excitation in insulators are surveyed. The experimental observation treated includes defect formation by cascade-excitation of self-trapped excitons and by interaction between free and self-trapped excitons. It is pointed out that in certain solids defect generation by electronic excitation occurs only under dense electronic excitation, while in some others the defect yield depends on the density of excitation to a lesser extent. The mechanism of the effects of dense electronic excitation varies depending on the materials. Some of the crucial steps for defect formation under dense electronic excitation are presented.

  6. Magnetic cluster excitations

    Science.gov (United States)

    Furrer, Albert; Waldmann, Oliver

    2013-01-01

    Magnetic clusters, i.e., assemblies of a finite number (between two or three and several hundred) of interacting spin centers which are magnetically decoupled from their environment, can be found in many materials ranging from inorganic compounds and magnetic molecules to artificial metal structures formed on surfaces and metalloproteins. Their magnetic excitation spectra are determined by the nature of the spin centers and of the magnetic interactions, and the particular arrangement of the mutual interaction paths between the spin centers. Small clusters of up to four magnetic ions are ideal model systems in which to examine the fundamental magnetic interactions, which are usually dominated by Heisenberg exchange, but often complemented by anisotropic and/or higher-order interactions. In large magnetic clusters, which may potentially deal with a dozen or more spin centers, there is the possibility of novel many-body quantum states and quantum phenomena. In this review the necessary theoretical concepts and experimental techniques to study the magnetic cluster excitations and the resulting characteristic magnetic properties are introduced, followed by examples of small clusters, demonstrating the enormous amount of detailed physical information that can be retrieved. The current understanding of the excitations and their physical interpretation in the molecular nanomagnets which represent large magnetic clusters is then presented, with a section devoted to the subclass of single-molecule magnets, distinguished by displaying quantum tunneling of the magnetization. Finally, there is a summary of some quantum many-body states which evolve in magnetic insulators characterized by built-in or field-induced magnetic clusters. The review concludes by addressing future perspectives in the field of magnetic cluster excitations.

  7. Efforts to Consolidate Chalcogels with Adsorbed Iodine

    Energy Technology Data Exchange (ETDEWEB)

    Riley, Brian J.; Pierce, David A.; Chun, Jaehun

    2013-08-28

    This document discusses ongoing work with non-oxide aerogels, called chalcogels, that are under development at the Pacific Northwest National Laboratory as sorbents for gaseous iodine. Work was conducted in fiscal year 2012 to demonstrate the feasibility of converting Sn2S3 chalcogel without iodine into a glass. This current document summarizes the work conducted in fiscal year 2013 to assess the consolidation potential of non-oxide aerogels with adsorbed iodine. The Sn2S3 and Sb13.5Sn5S20 chalcogels were selected for study. The first step in the process for these experiments was to load them with iodine (I2). The I2 uptake was ~68 mass% for Sn2S3 and ~50 mass% for Sb13.5Sn5S20 chalcogels. X-ray diffraction (XRD) of both sets of sorbents showed that metal-iodide complexes were formed during adsorption, i.e., SnI4 for Sn2S3 and SbI3 for Sb13.5Sn5S20. Additionally, metal-sulfide-iodide complexes were formed, i.e., SnSI for Sn2S3 and SbSI for Sb13.5Sn5S20. No XRD evidence for unreacted iodine was found in any of these samples. Once the chalcogels had reached maximum adsorption, the consolidation potential was assessed. Here, the sorbents were heated for consolidation in vacuum-sealed quartz vessels. The Sb13.5Sn5S20 chalcogel was heated both (1) in a glassy carbon crucible within a fused quartz tube and (2) in a single-containment fused quartz tube. The Sn2S3 chalcogel was only heated in a single-containment fused quartz tube. In both cases with the single-containment fused quartz experiments, the material consolidated nicely. However, in both cases, there were small fractions of metal iodides not incorporated into the final product as well as fused quartz particles within the melt due to the sample attacking the quartz wall during the heat treatment. The Sb13.5Sn5S20 did not appear to attack the glassy carbon crucible so, for future experiments, it would be ideal to apply a coating, such as pyrolytic graphite, to the inner walls of the fused quartz vessel to prevent

  8. Adsorbates effects in H^- - Na/Cu(111) collisions

    Science.gov (United States)

    Bahrim, Bogdana; Yu, Song

    2008-03-01

    The (111) faces of Cu, Ag and Au present a band gap that extends just below the vacuum level at the γ gpoint [1]. The effect is to forbid electrons with energies in a certain range to be transferred into the metal along the surface normal. Thus, the presence of a band gap should dramatically influence various experiments in ion-surface collisions involving electron capture or loss. In recent years, this topic received a great interest [2 -- 4]. Adsorbates deposition makes the electron dynamics at such surfaces to be even more complex. We analyze some interesting adsorbates effects: (1) projectile energy levels and widths are strongly perturbed when this approaches close to an adsorbate atom; (2) scattering by adsorbates may be used to laterally confine surface state electrons; (3) adsorbates may enhance the band gap effect; (4) adsorbates tend to couple the surface states to the bulk states. Results for the H^- projectile interacting with a Na/Cu(111) surface are reported. [1] E.V. Chulkov, V.M. Silkin and P.M. Echenique 1999 Surf. Sci. 437, 330. [2] A.G. Borisov, A.K. Kazansky and J.P. Gauyacq 1999 Phys. Rev. B. 59, 10935. [3] H.S. Chakraborty, T. Niederhausen and U. Thumm 2004 Phys. Rev. A. 70, 052903. [4] B. Bahrim, B. Makarenko and J.W. Rabalais 2005 Surface Sci. 594, 62.

  9. Cryogenic adsorber design in a helium refrigeration system

    Science.gov (United States)

    Hu, Zhongjun; Zhang, Ning; Li, Zhengyu; Li, Q.

    2012-06-01

    The cryogenic adsorber is specially designed to eliminate impurities in gaseous helium such as O2, and N2 which is normally difficult to remove, based on the reversible cryotrapping of impurities on an activated carbon bed. The coconut shell activated carbon is adopted because of its developed micropore structure and specific surface area. This activated carbon adsorption is mostly determined by the micropore structure, and the adsorption rate of impurities is inversely proportional to the square of the particle sizes. The active carbon absorber's maximum permissible flow velocity is 0.25 m/s. When the gas flow velocity increases, the adsorption diffusion rate of the adsorbent is reduced, because an increase in the magnitude of the velocity resulted in a reduced amount of heat transfer to a unit volume of impure gas. According to the numerical simulation of N2 adsorption dynamics, the appropriate void tower link speed and the saturated adsorption capacity are determined. Then the diameter and height of the adsorber are designed. The mass transfer length should be taken into account in the adsorber height design. The pressure decrease is also calculated. The important factors that influence the adsorber pressure decrease are the void tower speed, the adsorbed layer height, and the active carbon particle shape and size.

  10. Activity of lactoperoxidase when adsorbed on protein layers.

    Science.gov (United States)

    Haberska, Karolina; Svensson, Olof; Shleev, Sergey; Lindh, Liselott; Arnebrant, Thomas; Ruzgas, Tautgirdas

    2008-09-15

    Lactoperoxidase (LPO) is an enzyme, which is used as an antimicrobial agent in a number of applications, e.g., food technology. In the majority of applications LPO is added to a homogeneous product phase or immobilised on product surface. In the latter case, however, the measurements of LPO activity are seldom reported. In this paper we have assessed LPO enzymatic activity on bare and protein modified gold surfaces by means of electrochemistry. It was found that LPO rapidly adsorbs to bare gold surfaces resulting in an amount of LPO adsorbed of 2.9mg/m(2). A lower amount of adsorbed LPO is obtained if the gold surface is exposed to bovine serum albumin, bovine or human mucin prior to LPO adsorption. The enzymatic activity of the adsorbed enzyme is in general preserved at the experimental conditions and varies only moderately when comparing bare gold and gold surface pretreated with the selected proteins. The measurement of LPO specific activity, however, indicate that it is about 1.5 times higher if LPO is adsorbed on gold surfaces containing a small amount of preadsorbed mucin in comparison to the LPO directly adsorbed on bare gold.

  11. Mechanics

    CERN Document Server

    Chester, W

    1979-01-01

    When I began to write this book, I originally had in mind the needs of university students in their first year. May aim was to keep the mathematics simple. No advanced techniques are used and there are no complicated applications. The emphasis is on an understanding of the basic ideas and problems which require expertise but do not contribute to this understanding are not discussed. How­ ever, the presentation is more sophisticated than might be considered appropri­ ate for someone with no previous knowledge of the subject so that, although it is developed from the beginning, some previous acquaintance with the elements of the subject would be an advantage. In addition, some familiarity with element­ ary calculus is assumed but not with the elementary theory of differential equations, although knowledge of the latter would again be an advantage. It is my opinion that mechanics is best introduced through the motion of a particle, with rigid body problems left until the subject is more fully developed. Howev...

  12. Disentangling Multidimensional Nonequilibrium Dynamics of Adsorbates: CO Desorption from Cu(100)

    Science.gov (United States)

    Inoue, Ken-ichi; Watanabe, Kazuya; Sugimoto, Toshiki; Matsumoto, Yoshiyasu; Yasuike, Tomokazu

    2016-10-01

    Hot carriers at metal surfaces can drive nonthermal reactions of adsorbates. Characterizing nonequilibrium statistics among various degrees of freedom in an ultrafast time scale is crucial to understand and develop hot carrier-driven chemistry. Here we demonstrate multidimensional vibrational dynamics of carbon monoxide (CO) on Cu(100) along hot-carrier induced desorption studied by using time-resolved vibrational sum-frequency generation with phase-sensitive detection. Instantaneous frequency and amplitude of the CO internal stretching mode are tracked with a subpicosecond time resolution that is shorter than the vibrational dephasing time. These experimental results in combination with numerical analysis based on Langevin simulations enable us to extract nonequilibrium distributions of external vibrational modes of desorbing molecules. Superstatistical distributions are generated with mode-dependent frictional couplings in a few hundred femtoseconds after hot-electron excitation, and energy flow from hot electrons and intermode anharmonic coupling play crucial roles in the subsequent evolution of the non-Boltzman distributions.

  13. Molecular resonant dissociation of surface-adsorbed molecules by plasmonic nanoscissors

    Science.gov (United States)

    Zhang, Zhenglong; Sheng, Shaoxiang; Zheng, Hairong; Xu, Hongxing; Sun, Mengtao

    2014-04-01

    The ability to break individual bonds or specific modes in chemical reactions is an ardently sought goal by chemists and physicists. While photochemistry based methodologies are very successful in controlling e.g. photocatalysis, photosynthesis and the degradation of plastic, it is hard to break individual molecular bonds for those molecules adsorbed on the surface because of the weak light-absorption in molecules and the redistribution of the resulting vibrational energy both inside the molecule and to its surrounding environment. Here we show how to overcome these obstacles with a plasmonic hot-electron mediated process and demonstrate a new method that allows the sensitive control of resonant dissociation of surface-adsorbed molecules by `plasmonic' scissors. To that end, we used a high-vacuum tip-enhanced Raman spectroscopy (HV-TERS) setup to dissociate resonantly excited NC2H6 fragments from Malachite green. The surface plasmons (SPs) excited at the sharp metal tip not only enhance the local electric field to harvest the light incident from the laser, but crucially supply `hot electrons' whose energy can be transferred to individual bonds. These processes are resonant Raman, which result in some active chemical bonds and then weaken these bonds, followed by dumping in lots of indiscriminant energy and breaking the weakest bond. The method allows for sensitive control of both the rate and probability of dissociation through their dependence on the density of hot electrons, which can be manipulated by tuning the laser intensity or tunneling current/bias voltage in the HV-TERS setup, respectively. The concepts of plasmonic scissors open up new versatile avenues for the deep understanding of in situ surface-catalyzed chemistry.The ability to break individual bonds or specific modes in chemical reactions is an ardently sought goal by chemists and physicists. While photochemistry based methodologies are very successful in controlling e.g. photocatalysis

  14. Gold recovery from low concentrations using nanoporous silica adsorbent

    Science.gov (United States)

    Aledresse, Adil

    The development of high capacity adsorbents with uniform porosity denoted 5%MP-HMS (5% Mercaptopropyl-Hexagonal Mesoporous Structure) to extract gold from noncyanide solutions is presented. The preliminary studies from laboratory simulated noncyanide gold solutions show that the adsorption capacities of these materials are among the highest reported. The high adsorption saturation level of these materials, up to 1.9 mmol/g (37% of the adsorbent weight) from gold chloride solutions (potassium tetrachloroaurate) and 2.9 mmol/g (57% of the adsorbent weight) from gold bromide solutions (potassium tetrabromoaurate) at pH = 2, is a noteworthy feature of these materials. This gold loading from [AuC4]- and [AuBr4 ]- solutions corresponds to a relative Au:S molar ratio of 2.5:1 and 3.8:1, respectively. These rates are significantly higher than the usual 1:1 (Au:S) ratio expected for metal ion binding with the material. The additional gold ions loaded have been spontaneously reduced to metallic gold in the mesoporous material. Experimental studies indicated high maximum adsorptions of gold as high as 99.9% recovery. Another promising attribute of these materials is their favourable adsorption kinetics. The MP-HMS reaches equilibrium (saturation) in less than 1 minute of exposure in gold bromide and less than 10 minutes in gold chloride. The MP-HMS materials adsorption is significantly improved by agitation and the adsorption capacity of Au (III) ions increases with the decrease in pH. The recovery of adsorbed gold and the regeneration of spent adsorbent were investigated for MP-HMS adsorbent. The regenerated adsorbent (MP-HMS) maintained its adsorption capacity even after repeated use and all the gold was successfully recovered from the spent adsorbent. For the fist time, a promising adsorbent system has been found that is capable of effectively concentrating gold thiosulphate complexes, whereas conventional carbon-inpulp (CIP) and carbon-in-leach (CIL) systems fail. The

  15. Slow effects of fast harmonic excitation for elastic structures

    DEFF Research Database (Denmark)

    Tcherniak, Dmitri; Thomsen, Jon Juel

    1998-01-01

    High-frequency excitation may affect the 'slow' behavior of a dynamical system. For example, equilibria may move, disappear, or gain or loose stability. We consider such slow effects of fast excitation for a simple mechanical system that incorporates features of many engineering structures. The s....... The study is intended to contribute to the general understanding of periodically excited linear and nonlinear systems, as well as to the current attempts to utilize high-frequency excitation for altering the low-frequency properties of structures....

  16. Apparatus for photon excited catalysis

    Science.gov (United States)

    Saffren, M. M. (Inventor)

    1977-01-01

    An apparatus is described for increasing the yield of photonically excited gas phase reactions by extracting excess energy from unstable, excited species by contacting the species with the surface of a finely divided solid.

  17. Adaptive transition rates in excitable membranes

    Directory of Open Access Journals (Sweden)

    Shimon Marom

    2009-02-01

    Full Text Available Adaptation of activity in excitable membranes occurs over a wide range of timescales. Standard computational approaches handle this wide temporal range in terms of multiple states and related reaction rates emanating from the complexity of ionic channels. The study described here takes a different (perhaps complementary approach, by interpreting ion channel kinetics in terms of population dynamics. I show that adaptation in excitable membranes is reducible to a simple Logistic-like equation in which the essential non-linearity is replaced by a feedback loop between the history of activation and an adaptive transition rate that is sensitive to a single dimension of the space of inactive states. This physiologically measurable dimension contributes to the stability of the system and serves as a powerful modulator of input-output relations that depends on the patterns of prior activity; an intrinsic scale free mechanism for cellular adaptation that emerges from the microscopic biophysical properties of ion channels of excitable membranes.

  18. Collisional quenching of highly rotationally excited HF

    CERN Document Server

    Yang, Benhui; Forrey, R C; Stancil, P C; Balakrishnan, N

    2015-01-01

    Collisional excitation rate coefficients play an important role in the dynamics of energy transfer in the interstellar medium. In particular, accurate rotational excitation rates are needed to interpret microwave and infrared observations of the interstellar gas for nonlocal thermodynamic equilibrium line formation. Theoretical cross sections and rate coefficients for collisional deexcitation of rotationally excited HF in the vibrational ground state are reported. The quantum-mechanical close-coupling approach implemented in the nonreactive scattering code MOLSCAT was applied in the cross section and rate coefficient calculations on an accurate 2D HF-He potential energy surface. Estimates of rate coefficients for H and H$_2$ colliders were obtained from the HF-He collisional data with a reduced-potential scaling approach. The calculation of state-to-state rotational quenching cross sections for HF due to He with initial rotational levels up to $j=20$ were performed for kinetic energies from 10$^{-5}$ to 15000...

  19. Excitation mechanism and thermal emission quenching of Tb ions in silicon rich silicon oxide thin films grown by plasma-enhanced chemical vapour deposition—Do we need silicon nanoclusters?

    Energy Technology Data Exchange (ETDEWEB)

    Podhorodecki, A., E-mail: artur.p.podhorodecki@pwr.wroc.pl; Golacki, L. W.; Zatryb, G.; Misiewicz, J. [Institute of Physics, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw (Poland); Wang, J.; Jadwisienczak, W. [School of EECS, Ohio University, Stocker Center 363, Athens, Ohio 45701 (United States); Fedus, K. [Institute of Physics, Nicholas Copernicus University, Grudziadzka 5/7, 87-100 Torun (Poland); Wojcik, J.; Wilson, P. R. J.; Mascher, P. [Department of Engineering Physics and Centre for Emerging Device Technologies, McMaster University, 1280 Main St. W, Hamilton, Ontario L8S4L7 (Canada)

    2014-04-14

    In this work, we will discuss the excitation and emission properties of Tb ions in a Silicon Rich Silicon Oxide (SRSO) matrix obtained at different technological conditions. By means of electron cyclotron resonance plasma-enhanced chemical vapour deposition, undoped and doped SRSO films have been obtained with different Si content (33, 35, 39, 50 at. %) and were annealed at different temperatures (600, 900, 1100 °C). The samples were characterized optically and structurally using photoluminescence (PL), PL excitation, time resolved PL, absorption, cathodoluminescence, temperature dependent PL, Rutherford backscattering spectrometry, Fourier transform infrared spectroscopy and positron annihilation lifetime spectroscopy. Based on the obtained results, we discuss how the matrix modifications influence excitation and emission properties of Tb ions.

  20. Elution by Le Chatelier's principle for maximum recyclability of adsorbents: applied to polyacrylamidoxime adsorbents for extraction of uranium from seawater.

    Science.gov (United States)

    Oyola, Yatsandra; Vukovic, Sinisa; Dai, Sheng

    2016-05-28

    Amidoxime-based polymer adsorbents have attracted interest within the last decade due to their high adsorption capacities for uranium and other rare earth metals from seawater. The ocean contains an approximated 4-5 billion tons of uranium and even though amidoxime-based adsorbents have demonstrated the highest uranium adsorption capacities to date, they are still economically impractical because of their limited recyclability. Typically, the adsorbed metals are eluted with a dilute acid solution that not only damages the amidoxime groups (metal adsorption sites), but is also not strong enough to remove the strongly bound vanadium, which decreases the adsorption capacity with each cycle. We resolved this challenge by incorporating Le Chatelier's principle to recycle adsorbents indefinitely. We used a solution with a high concentration of amidoxime-like chelating agents, such as hydroxylamine, to desorb nearly a 100% of adsorbed metals, including vanadium, without damaging the metal adsorption sites and preserving the high adsorption capacity. The method takes advantage of knowing the binding mode between the amidoxime ligand and the metal and mimics it with chelating agents that then in a Le Chatelier's manner removes metals by shifting to a new chemical equilibrium. For this reason the method is applicable to any ligand-metal adsorbent and it will make an impact on other extraction technologies.

  1. Topological Excitations in Quantum Spin Systems

    Directory of Open Access Journals (Sweden)

    Ranjan Chaudhury

    2013-01-01

    Full Text Available The origin and significance of topological excitations in quantum spin models in low dimensions are presented in detail. Besides a general review, our own work in this area is described in great depth. Apart from theoretical analysis of the existence and properties of spin vortices and antivortices, the possible experimental consequences and signatures are also highlighted. In particular, the distinguishing features between the even and odd charged topological excitations are brought out through a detailed analysis of the topological term in the quantum action. Moreover, an interesting symmetry property is predicted between the excitations from a ferromagnetic model and an antiferromagnetic model. Through a novel approach of ours, a bridge is established between field theoretical formalism and the well-known statistical mechanical treatment of Berezinskii-Kosterlitz-Thouless (BKT transition involving these topological excitations. Furthermore, a detailed phenomenological analysis of the experimentally observed static and dynamic magnetic properties of the layered magnetic materials, possessing XY anisotropy in the in-plane spin-spin couplings, is undertaken to test the theoretical predictions regarding the behaviour of these excitations. The importance and the crucial role of quantum spin fluctuations in these studies are also brought out very clearly by our analysis.

  2. Get excited: reappraising pre-performance anxiety as excitement.

    Science.gov (United States)

    Brooks, Alison Wood

    2014-06-01

    Individuals often feel anxious in anticipation of tasks such as speaking in public or meeting with a boss. I find that an overwhelming majority of people believe trying to calm down is the best way to cope with pre-performance anxiety. However, across several studies involving karaoke singing, public speaking, and math performance, I investigate an alternative strategy: reappraising anxiety as excitement. Compared with those who attempt to calm down, individuals who reappraise their anxious arousal as excitement feel more excited and perform better. Individuals can reappraise anxiety as excitement using minimal strategies such as self-talk (e.g., saying "I am excited" out loud) or simple messages (e.g., "get excited"), which lead them to feel more excited, adopt an opportunity mind-set (as opposed to a threat mind-set), and improve their subsequent performance. These findings suggest the importance of arousal congruency during the emotional reappraisal process.

  3. Extracting Uranium from Seawater: Promising AF Series Adsorbents

    Energy Technology Data Exchange (ETDEWEB)

    Das, S.; Oyola, Y.; Mayes, Richard T.; Janke, Chris J.; Kuo, L. -J.; Gill, G.; Wood, J. R.; Dai, S.

    2016-04-20

    A new family of high-surface-area polyethylene fiber adsorbents named the AF series was recently developed at the Oak Ridge National Laboratory (ORNL). The AF series adsorbents were synthesized by radiation-induced graft polymerization of acrylonitrile and itaconic acid (at different monomer/comonomer mol ratios) onto high surface area polyethylene fibers. The degree of grafting (%DOG) of AF series adsorbents was found to be 154-354%. The grafted nitrile groups were converted to amidoxime groups by treating with hydroxylamine. The amidoximated adsorbents were then conditioned with 0.44 M KOH at 80 °C followed by screening at ORNL with sodium-based synthetic aqueous solution, spiked with 8 ppm uranium. The uranium adsorption capacity in simulated seawater screening ranged from 170 to 200 g-U/kg-ads irrespective of %DOG. A monomer/comonomer molar ratio in the range of 7.57-10.14 seemed to be optimum for highest uranium loading capacity. Subsequently, the adsorbents were also tested with natural seawater at Pacific Northwest National Laboratory (PNNL) using flow-through column experiments to determine uranium loading capacity with varying KOH conditioning times at 80 °C. The highest adsorption capacity of AF1 measured after 56 days of marine testing was demonstrated as 3.9 g-U/kg-adsorbent and 3.2 g-U/kg-adsorbent for 1 and 3 h of KOH conditioning at 80 °C, respectively. Based on capacity values of several AF1 samples, it was observed that changing KOH conditioning from 1 to 3 h at 80 °C resulted in a 22-27% decrease in uranium adsorption capacity in seawater.

  4. Fluctuations in the number of particles adsorbed under the influence of diffusion and flow

    Science.gov (United States)

    Adamczyk, Zbigniew; Siwek, Barbara; Szyk, Lilianna; Zembala, Maria

    1996-10-01

    Fluctuations in the number of colloid particles adsorbed irreversibly under diffusion and flow were determined. The experimental measurements were carried out in the impinging-jet cells using as model colloids the monodisperse polystyrene latex particles of micrometer size range adsorbing at mica sheets. The surface concentration of adsorbed particles was determined quantitatively using the direct microscope observation method coupled with an image analyzing system. Two series of experiments were performed (i) for diffusion controlled adsorption when the random sequential adsorption (RSA) mechanism was valid and (ii) for flow controlled adsorption. It was found that in the case of RSA the reduced variance of the distributions decreased markedly for increasing surface concentration θ in accordance with theoretical predictions based on the mean-field approximation. The experimental results were in a good agreement with the numerical simulations performed according to the RSA algorithm. It was also determined that the magnitude of fluctuations in our irreversible system was very similar to reversible systems described by the scaled-particle theory. A significantly different behavior was observed for flow affected adsorption when the reduced variance (at the same surface concentration) was much smaller than for the RSA model, therefore deviating considerably from an equilibrium system. The decrease in the variance indicated that the surface exclusion effects (described by the available surface function) were more important under flow due to the hydrodynamic scattering effect.

  5. Adsorption characteristics of bio-adsorbent on chromium(III) in industrial wastewater.

    Science.gov (United States)

    Lu, Zhufeng; Wang, Hongmei; Li, Jiayou; Yuan, Lixia; Zhu, Lianwen

    2015-01-01

    The removal of chromium(III) (Cr(III)) from industrial wastewater by various low-cost methods has been widely investigated. In this paper, a type of bio-adsorbent was prepared using rice straw modified by fermentation and simple chemical treatment. The aim is to detect the adsorption mechanism and characteristics on Cr(III) ions. The analysis shows that the bio-adsorbent possesses four modified characteristics for Cr(III) adsorption. The first one is the acquired physical adsorption involving concave and convex structures. The second one is the effects of the hydrogen bonding surface hydroxyl groups and the metal chromium ion with complexation. The third one is mainly caused by hydrophilic active groups that possess carboxyl and hydroxyl groups during microbial degradation to combine with ions. The final one is the bio-adsorbent had high adsorption for low concentration of Cr(III) ions. The highest removal of around 97.45% was obtained at pH 5.0, bio-adsorption dosage of 0.5 g L(-1), and initial Cr(III) concentration of 20 mg L(-1). The adsorption process followed the pseudo second-order model (R(2) > 0.99), while the isotherms were fitted to the Freundlich equation (68.1926 mg g(-1)), mainly by chemical adsorption. This study demonstrates the potential of using this biosorbent to remove Cr(III) from both synthetic and industrial wastewater.

  6. Preparation of a Novel Acid Doped Polyaniline Adsorbent for Removal of Anionic Pollutant from Wastewater

    Institute of Scientific and Technical Information of China (English)

    LI Jiajia; WANG Qizhao; BAI Yan; JIA Yongming; SHANG Pan; HUANG Haohao; WANG Fangping

    2015-01-01

    Polyaniline (PANI) was one of the most extensively studied adsorbents due to its low cost and good environmental stability. The objective of the current study was to improve the selective capabilities of PANI for anionic dyes. We found that the acid doped PANI prepared with hydrochloric acid and p-toluenesulfonic acid (PTSA) could selectively adsorb anionic dyes. It exhibited very good selectivity for OG dye, the mechanism was proposed based on the chemical interaction of PANI with the sulfonate group of the dyes. The effects of solution pH, initial dye concentration, and different HCl/PTSA mole ratios on the adsorption capacity of OG have been investigated. Kinetic simulations indicated that the adsorption process could be well represented by pseudo-second-order kinetic plots. The isothermal adsorption curve iftting also showed that the adsorption process could be well described by the Langmuir isothermal equation. The results showed that acid doped PANI could be employed as a promising adsorbent for anion removal from dye wastewater.

  7. Interaction of PC-3 cells with fibronectin adsorbed on sulfonated polystyrene surfaces

    Directory of Open Access Journals (Sweden)

    Hanna M. Kowalczyńska

    2012-01-01

    Full Text Available The ability of cancer cells to invade neighboring tissues is crucial for cell dissemination and tumor metastasis. It is generally assumed that cell adhesion to extracellular matrix proteins is an important stage of cancer progression. Hence, adhesion of cancer cells under in vitro conditions to proteins adsorbed on a substratum surface has been studied to provide a better understanding of cell-protein interaction mechanisms. A protein, adsorbed in an appropriate conformation on a substratum surface, creates a biologically active layer that regulates such cell functions as adhesion, spreading, proliferation and migration. In our study, we examined the interaction of PC-3 cells under in vitro conditions with fibronectin adsorbed on sulfonated polystyrene surfaces of a defined chemical composition and topography. We investigated cell adhesion to fibronectin and cell spreading. Using automatic, sequential microscopic image registration, we are the first to present observations of the dynamics of PC-3 cell spreading and the cell shape during this process. Our results show that cell adhesion and the shape of spreading cells strongly depend on the time interaction with fibronectin. The analysis of images of cytoskeletal protein distribution in the cell region near the cell-substratum interface revealed that induction of a signal cascade took place, which led to the reorganization of the cytoskeletal proteins and the activation of focal adhesion kinase (FAK. (Folia Histochemica et Cytobiologica 2011; Vol. 49, No. 4, pp. 706–718

  8. Interaction of PC-3 cells with fibronectin adsorbed on sulfonated polystyrene surfaces.

    Science.gov (United States)

    Stachurska, Anna; Kowalczyńska, Hanna M

    2011-01-01

    The ability of cancer cells to invade neighboring tissues is crucial for cell dissemination and tumor metastasis. It is generally assumed that cell adhesion to extracellular matrix proteins is an important stage of cancer progression. Hence, adhesion of cancer cells under in vitro conditions to proteins adsorbed on a substratum surface has been studied to provide a better understanding of cell-protein interaction mechanisms. A protein, adsorbed in an appropriate conformation on a substratum surface, creates a biologically active layer that regulates such cell functions as adhesion, spreading, proliferation and migration. In our study, we examined the interaction of PC-3 cells under in vitro conditions with fibronectin adsorbed on sulfonated polystyrene surfaces of a defined chemical composition and topography. We investigated cell adhesion to fibronectin and cell spreading. Using automatic, sequential microscopic image registration, we are the first to present observations of the dynamics of PC-3 cell spreading and the cell shape during this process. Our results show that cell adhesion and the shape of spreading cells strongly depend on the time interaction with fibronectin. The analysis of images of cytoskeletal protein distribution in the cell region near the cell-substratum interface revealed that induction of a signal cascade took place, which led to the reorganization of the cytoskeletal proteins and the activation of focal adhesion kinase (FAK).

  9. Platinum Nanoparticles Loaded on Activated Carbon as Novel Adsorbent for the Removal of Congo Red

    Directory of Open Access Journals (Sweden)

    M. Ghaedi

    2012-01-01

    Full Text Available Platinum nanoparticles loaded on activated carbon as novel adsorbent was successfully applied for efficient removal of congo red. The influences of effective parameters including contact time, pH and temperature, amount of adsorbents and concentration of initial dye on the efficiency of removal of congo red from aqueous solution were investigated. Adsorption experiments indicate that the extent of adsorption is strongly dependent on pH of solution. Thermodynamic parameters like Free energy of adsorption, enthalpy and entropy changes were calculated to know the nature of adsorption. The calculated values of free energy of adsorption (negative value indicate that the adsorption process is spontaneous. The estimated values of enthalpy and entropy both show the positive sign, which indicate that the adsorption process is endothermic and the dye molecules are organized on the adsorbent surface in more randomly fashion than in solution. Fitting experimental data to different kinetic models including first order, pseudo second order and Elovich and intra-particle diffusion models shows that the rate of dye adsorption follows pseudo second order model and involvement of intera- particle diffusion mechanism.

  10. Vibrational Shift of Adsorbed Carbon Dioxide Within a Metal-Organic Framework

    Science.gov (United States)

    Fitzgerald, S.; Pierce, C.; Schloss, J.; Thompson, B.; Rowsell, J.

    2012-06-01

    There is much interest in a class of materials known as Metal-Organic Frameworks (MOFs). While practical applications center on hydrogen storage and carbon sequestration, these highly porous, crystalline materials also provide an excellent opportunity for performing matrix isolation experiments. In this talk we will present data on MOF-74, a honey-comb structure consisting of metal-oxide units linked by aromatic rings. Infrared spectra show that for a series of different metal cations, Mn2+, Fe2+, Co2+, Ni2+, and Zn2+ the vibrational modes of adsorbed CO2 are all red shifted relative to the gas phase values. In contrast the ν3 mode of CO2 adsorbed within the Mg version of MOF-74 is unique in showing a blue shift. It is accompanied by broader sidebands associated with librational or center of mass motion of the adsorbed CO2. Spectra obtained below 100 K show the emergence of a second ν3 band indicating a further distortion of the CO2 molecule. These results will be discussed in terms of the interaction mechanisms of the different metal cations and in particular the fact that the Mg version of MOF-74 has a very strong affinity for CO2 with a binding enenergy of 47 kJ/mol, more than 5 kJ/mol greater than any other MOF.

  11. Magnetic graphene-carbon nanotube iron nanocomposites as adsorbents and antibacterial agents for water purification.

    Science.gov (United States)

    Sharma, Virender K; McDonald, Thomas J; Kim, Hyunook; Garg, Vijayendra K

    2015-11-01

    One of the biggest challenges of the 21st century is to provide clean and affordable water through protecting source and purifying polluted waters. This review presents advances made in the synthesis of carbon- and iron-based nanomaterials, graphene-carbon nanotubes-iron oxides, which can remove pollutants and inactivate virus and bacteria efficiently in water. The three-dimensional graphene and graphene oxide based nanostructures exhibit large surface area and sorption sites that provide higher adsorption capacity to remove pollutants than two-dimensional graphene-based adsorbents and other conventional adsorbents. Examples are presented to demonstrate removal of metals (e.g., Cu, Pb, Cr(VI), and As) and organics (e.g., dyes and oil) by grapheme-based nanostructures. Inactivation of Gram-positive and Gram-negative bacterial species (e.g., Escherichia coli and Staphylococcus aureus) is also shown. A mechanism involving the interaction of adsorbents and pollutants is briefly discussed. Magnetic graphene-based nanomaterials can easily be separated from the treated water using an external magnet; however, there are challenges in implementing the graphene-based nanotechnology in treating real water.

  12. Influence of carboxylic ion-pairing reagents on retention of peptides in thin-layer chromatography systems with C18 silica-based adsorbents.

    Science.gov (United States)

    Gwarda, Radosław Ł; Aletańska-Kozak, Monika; Klimek-Turek, Anna; Ziajko-Jankowska, Agnieszka; Matosiuk, Dariusz; Dzido, Tadeusz H

    2016-04-01

    One of the main problems related to chromatography of peptides concerns adverse interactions of their strong basic groups with free silanol groups of the silica based stationary phase. Influence of type and concentration of ion-pairing regents on peptide retention in reversed-phase high-performance liquid chromatography (RP-HPLC) systems has been discussed before. Here we present influence of these mobile phase additives on retention of some peptide standards in high-performance thin-layer chromatography (HPTLC) systems with C18 silica-based adsorbents. We prove, that due to different characteristic of adsorbents used in both techniques (RP HPLC and HPTLC), influence of ion-pairing reagents on retention of basic and/or amphoteric compounds also may be quite different. C18 silica-based HPTLC adsorbents provide more complex mechanism of retention and should be rather considered as mixed-mode adsorbents. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Preparation of magnetic metal organic frameworks adsorbent modified with mercapto groups for the extraction and analysis of lead in food samples by flame atomic absorption spectrometry.

    Science.gov (United States)

    Wang, Yang; Chen, Huanhuan; Tang, Jie; Ye, Guiqin; Ge, Huali; Hu, Xiaoya

    2015-08-15

    A novel magnetic metal organic frameworks adsorbent modified with mercapto groups was synthesized and developed for extraction and spectrophotometric determination of trace lead. The adsorbent was characterized by Fourier transforms infrared spectrometer, X-ray diffraction, scanning electron microscopy and vibrating sample magnetometry. The results indicated the adsorbents exhibited high adsorption capacities for lead due to the chelation mechanism between metal cations and mercapto groups. Meanwhile, the lead sorption onto the adsorbents could be easily separated from aqueous solution using a magnetic separation method. Under the optimal conditions, a linear calibration curve in the range from 1 to 20 μg L(-1) was achieved with an enrichment factor of 100. The limits of detection and quantitation for lead were found to be 0.29 and 0.97 μg L(-1), respectively. The developed method was successfully applied to the determination of trace amounts of lead in food samples and certified reference material with satisfactory results.

  14. Magnesium oxide-impregnated tuff soil-derived ceramic: a novel cadmium(II) adsorbing media

    Science.gov (United States)

    Salim, Md; Bhakta, Jatindra N.; Maneesh, Namburath; Munekage, Yukihiro; Motomura, Kevin

    2017-07-01

    The contamination of cadmium (Cd) in the aquatic environment is one of the serious environmental and human health's risks. The present study attempted to develop the potential magnesium oxide (MgO)-impregnated tuff soil-derived ceramic (MITDC)-based novel adsorbent media for adsorbing higher rate of cadmium [Cd(II)] from water phase. A potential MITDC adsorbent media was developed using volcanic raw tuff soil and its Cd(II) adsorption capacity from water phase was evaluated comparing with the raw tuff soil. A series of studies were carried out in an agitated batch method at 20 ± 2 °C to characterize the adsorption capacity of MITDC under different conditions of factors, such as contact time (0-360 min), initial pH (3-11) of solution, dose of MITDC (2, 5, 7.5 and 10 g/L), and initial concentration of Cd(II) (5, 10, 20, 30, and 40 mg/L), influencing the adsorption mechanism. MITDC exhibited the equilibrium state of maximum Cd(II) adsorption at the contact time 120 min and pH 4.7 (removed 98.2 % Cd) when initial Cd(II) concentration was 10 mg/L in the present study. The dose of 7.5 g MITDC/L showed maximum removal of Cd(II) from water. Experimental data were described by the Freundlich and the Langmuir isotherms and equilibrium data fitted well with the Langmuir model ( R 2 = 0.996). The Cd(II) adsorption capacity of MITDC was 31.25 mg/g. The high Cd(II) adsorption capacity indicated that novel MITDC could be used as a potential ceramic adsorbent media to remove high rate of Cd(II) from aqueous phase.

  15. Adjuvant effects of aluminium hydroxide-adsorbed allergens and allergoids - differences in vivo and in vitro.

    Science.gov (United States)

    Heydenreich, B; Bellinghausen, I; Lund, L; Henmar, H; Lund, G; Adler Würtzen, P; Saloga, J

    2014-06-01

    Allergen-specific immunotherapy (SIT) is a clinically effective therapy for immunoglobulin (Ig)E-mediated allergic diseases. To reduce the risk of IgE-mediated side effects, chemically modified allergoids have been introduced. Furthermore, adsorbance of allergens to aluminium hydroxide (alum) is widely used to enhance the immune response. The mechanisms behind the adjuvant effect of alum are still not completely understood. In the present study we analysed the effects of alum-adsorbed allergens and allergoids on their immunogenicity in vitro and in vivo and their ability to activate basophils of allergic donors. Human monocyte derived dendritic cells (DC) were incubated with native Phleum pratense or Betula verrucosa allergen extract or formaldehyde- or glutaraldehyde-modified allergoids, adsorbed or unadsorbed to alum. After maturation, DC were co-cultivated with autologous CD4(+) T cells. Allergenicity was tested by leukotriene and histamine release of human basophils. Finally, in-vivo immunogenicity was analysed by IgG production of immunized mice. T cell proliferation as well as interleukin (IL)-4, IL-13, IL-10 and interferon (IFN)-γ production were strongly decreased using glutaraldehyde-modified allergoids, but did not differ between alum-adsorbed allergens or allergoids and the corresponding unadsorbed preparations. Glutaraldehyde modification also led to a decreased leukotriene and histamine release compared to native allergens, being further decreased by adsorption to alum. In vivo, immunogenicity was reduced for allergoids which could be partly restored by adsorption to alum. Our results suggest that adsorption of native allergens or modified allergoids to alum had no consistent adjuvant effect but led to a reduced allergenicity in vitro, while we observed an adjuvant effect regarding IgG production in vivo.

  16. Magnesium oxide-impregnated tuff soil-derived ceramic: a novel cadmium(II) adsorbing media

    Science.gov (United States)

    Salim, Md; Bhakta, Jatindra N.; Maneesh, Namburath; Munekage, Yukihiro; Motomura, Kevin

    2015-07-01

    The contamination of cadmium (Cd) in the aquatic environment is one of the serious environmental and human health's risks. The present study attempted to develop the potential magnesium oxide (MgO)-impregnated tuff soil-derived ceramic (MITDC)-based novel adsorbent media for adsorbing higher rate of cadmium [Cd(II)] from water phase. A potential MITDC adsorbent media was developed using volcanic raw tuff soil and its Cd(II) adsorption capacity from water phase was evaluated comparing with the raw tuff soil. A series of studies were carried out in an agitated batch method at 20 ± 2 °C to characterize the adsorption capacity of MITDC under different conditions of factors, such as contact time (0-360 min), initial pH (3-11) of solution, dose of MITDC (2, 5, 7.5 and 10 g/L), and initial concentration of Cd(II) (5, 10, 20, 30, and 40 mg/L), influencing the adsorption mechanism. MITDC exhibited the equilibrium state of maximum Cd(II) adsorption at the contact time 120 min and pH 4.7 (removed 98.2 % Cd) when initial Cd(II) concentration was 10 mg/L in the present study. The dose of 7.5 g MITDC/L showed maximum removal of Cd(II) from water. Experimental data were described by the Freundlich and the Langmuir isotherms and equilibrium data fitted well with the Langmuir model (R 2 = 0.996). The Cd(II) adsorption capacity of MITDC was 31.25 mg/g. The high Cd(II) adsorption capacity indicated that novel MITDC could be used as a potential ceramic adsorbent media to remove high rate of Cd(II) from aqueous phase.

  17. Analysis of mechanical vibrations in large vertical pumps: two cases of natural frequency excitations; Analisis de vibraciones mecanicas en grandes bombas verticales: dos casos de excitacion de frecuencias naturales

    Energy Technology Data Exchange (ETDEWEB)

    Ercoli, L.; La Malfa, S. [Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Bahia Blanca (Argentina). Inst. de Mecanica Aplicada]|[Universidad Tecnologica Nacional (Argentina). Grupo Analisis de Sistemas Mecanicos

    1995-07-01

    This study presents experimental dynamic analysis of two big vertical pumps induced to vibrate due to the excitation of natural frequencies of the structural systems: pump-mounting. It is demonstrated that a proper diagnostic of the working condition avoids unecessary and time-consuming equipment stops, with the consequent saving in the production costs. (author)

  18. Delta self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Olsen, Thomas; Engelund, Mads;

    2008-01-01

    We present a modification of the Delta self-consistent field (Delta SCF) method of calculating energies of excited states in order to make it applicable to resonance calculations of molecules adsorbed on metal surfaces, where the molecular orbitals are highly hybridized. The Delta SCF approximation...... is a density-functional method closely resembling standard density-functional theory (DFT), the only difference being that in Delta SCF one or more electrons are placed in higher lying Kohn-Sham orbitals instead of placing all electrons in the lowest possible orbitals as one does when calculating the ground......-state energy within standard DFT. We extend the Delta SCF method by allowing excited electrons to occupy orbitals which are linear combinations of Kohn-Sham orbitals. With this extra freedom it is possible to place charge locally on adsorbed molecules in the calculations, such that resonance energies can...

  19. Sulfur Management of NOx Adsorber Technology for Diesel Light-Duty Vehicle and Truck Applications

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Howard L.; Wang, Jerry C.; Yu, Robert C. (Cummins, Inc.); Wan, C. Z. (Engelhard Corp.); Howden, Ken (U.S. Dept. of Energy)

    2003-10-01

    Sulfur poisoning from engine fuel and lube is one of the most recognizable degradation mechanisms of a NOx adsorber catalyst system for diesel emission reduction. Even with the availability of 15 ppm sulfur diesel fuel, NOx adsorber will be deactivated without an effective sulfur management. Two general pathways are currently being explored for sulfur management: (1) the use of a disposable SOx trap that can be replaced or rejuvenated offline periodically, and (2) the use of diesel fuel injection in the exhaust and high temperature de-sulfation approach to remove the sulfur poisons to recover the NOx trapping efficiency. The major concern of the de-sulfation process is the many prolonged high temperature rich cycles that catalyst will encounter during its useful life. It is shown that NOx adsorber catalyst suffers some loss of its trapping capacity upon high temperature lean-rich exposure. With the use of a disposable SOx trap to remove large portion of the sulfur poisons from the exhaust, the NOx adsorber catalyst can be protected and the numbers of de-sulfation events can be greatly reduced. Spectroscopic techniques, such as DRIFTS and Raman, have been used to monitor the underlying chemical reactions during NOx trapping/ regeneration and de-sulfation periods, and provide a fundamental understanding of NOx storage capacity and catalyst degradation mechanism using model catalysts. This paper examines the sulfur effect on two model NOx adsorber catalysts. The chemistry of SOx/base metal oxides and the sulfation product pathways and their corresponding spectroscopic data are discussed. SAE Paper SAE-2003-01-3245 {copyright} 2003 SAE International. This paper is published on this website with permission from SAE International. As a user of this website, you are permitted to view this paper on-line, download this pdf file and print one copy of this paper at no cost for your use only. The downloaded pdf file and printout of this SAE paper may not be copied, distributed

  20. Toward a detailed characterization of oil adsorbates as "solid liquids".

    Science.gov (United States)

    Kutza, Claudia; Metz, Hendrik; Kutza, Johannes; Syrowatka, Frank; Mäder, Karsten

    2013-05-01

    Solid lipid formulation systems are used to overcome oral bioavailability problems of poorly water-soluble drugs. One promising process is the conversion of a liquid lipid system in a free flowing powder by use of adsorbing excipients. The aim of this study was the detailed characterization of solid-liquid interactions in oil adsorbed to Fujicalin and Neusilin which were manufactured by means of dual asymmetric centrifugation or conventional mortar/pestle blending. The adsorption strength of the excipients was investigated by Benchtop-NMR and ESR spectroscopy revealing the highest adsorption power for the Neusilin products. The adsorbate production methods as well as the storage of the excipients impact their adsorption properties. Environmental scanning electron microscopy (ESEM) and confocal laser scanning microscopy (CLSM) show that dual asymmetric centrifugation leads to a smoothing of the particle surface, whereas the mortar/pestle blending results in an uneven surface and particle destruction. The oil distribution at the particles is inhomogeneous for both production methods. The micropolarity of the adsorbed oil was investigated by ESR spectroscopy and multispectral fluorescence imaging. The adsorbing process on Neusilin leads to an increased micropolarity of the oil component. The release of the oil component in aqueous media could be verified by Benchtop-NMR and multispectral fluorescence imaging. Copyright © 2012 Elsevier B.V. All rights reserved.