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Sample records for ii ionization equilibrium

  1. NON-EQUILIBRIUM CHEMISTRY OF DYNAMICALLY EVOLVING PRESTELLAR CORES. II. IONIZATION AND MAGNETIC FIELD

    SciTech Connect

    Tassis, Konstantinos; Willacy, Karen; Yorke, Harold W.; Turner, Neal J.

    2012-07-20

    We study the effect that non-equilibrium chemistry in dynamical models of collapsing molecular cloud cores has on measurements of the magnetic field in these cores, the degree of ionization, and the mean molecular weight of ions. We find that OH and CN, usually used in Zeeman observations of the line-of-sight magnetic field, have an abundance that decreases toward the center of the core much faster than the density increases. As a result, Zeeman observations tend to sample the outer layers of the core and consistently underestimate the core magnetic field. The degree of ionization follows a complicated dependence on the number density at central densities up to 10{sup 5} cm{sup -3} for magnetic models and 10{sup 6} cm{sup -3} in non-magnetic models. At higher central densities, the scaling approaches a power law with a slope of -0.6 and a normalization which depends on the cosmic-ray ionization rate {zeta} and the temperature T as ({zeta}T){sup 1/2}. The mean molecular weight of ions is systematically lower than the usually assumed value of 20-30, and, at high densities, approaches a value of 3 due to the asymptotic dominance of the H{sup +}{sub 3} ion. This significantly lower value implies that ambipolar diffusion operates faster.

  2. [Good laboratory practice of equilibrium solubility measurement II. Study of pH-dependent solubility of ionizable compounds].

    PubMed

    Völgyi, Gergely; Baka, Edit; Kovács, Márta; Takácsné, Novák Krisztina

    2011-01-01

    In this paper the pH-equilibrium solubility profiles of ionizable drugs are presented. The aim of the present work was to study the validity of the Henderson-Hasselbalch (HH) relationship in the case of structurally diverse weak bases. In the case of monoprotic bases, namely papaverine, promethazine and propafenone the experimental equilibrium solubility data precisely follow the theoretical HH curve until the limit of salt solubility. The common ion effect on salt solubility was found to be significant at low pHs. Deviation from the HH equation in the case of dibasic quetiapine hydrogen fumarate can be easily interpreted with the formation of different salt compositions. The significance of pH control and the effect of the salt form (e.g., fumarate) was also investigated. It is critical that the pKa value and the intrinsic solubility are accurately determined when the HH relationship is used to predict the pH-dependent aqueous solubility of drugs.

  3. Iron ionization and recombination rates and ionization equilibrium

    NASA Technical Reports Server (NTRS)

    Arnaud, M.; Raymond, J.

    1992-01-01

    In the past few years important progress has been made on the knowledge of ionization and recombination rates of iron, an astrophysically abundant heavy element and a major impurity in laboratory fusion devices. We make a critical review of the existing data on ionization and dielectronic recombination and present new computations of radiative recombination rate coefficients of Fe(+14) through Fe(+25) using the photoionization cross sections of Clark et al. (1986). We provide analytical fits to the recommended data (direct ionization and excitation-autoionization cross sections; radiative and dielectronic recombination rate coefficients). Finally we determine the iron ionic fractions at ionization equilibrium and compare them with previous computations as well as with observational data.

  4. Collisional Ionization Equilibrium for Optically Thin Plasmas

    NASA Technical Reports Server (NTRS)

    Bryans, P.; Mitthumsiri, W.; Savin, D. W.; Badnell, N. R.; Gorczyca, T. W.; Laming, J. M.

    2006-01-01

    Reliably interpreting spectra from electron-ionized cosmic plasmas requires accurate ionization balance calculations for the plasma in question. However, much of the atomic data needed for these calculations have not been generated using modern theoretical methods and their reliability are often highly suspect. We have utilized state-of-the-art calculations of dielectronic recombination (DR) rate coefficients for the hydrogenic through Na-like ions of all elements from He to Zn. We have also utilized state-of-the-art radiative recombination (RR) rate coefficient calculations for the bare through Na-like ions of all elements from H to Zn. Using our data and the recommended electron impact ionization data of Mazzotta et al. (1998), we have calculated improved collisional ionization equilibrium calculations. We compare our calculated fractional ionic abundances using these data with those presented by Mazzotta et al. (1998) for all elements from H to Ni, and with the fractional abundances derived from the modern DR and RR calculations of Gu (2003a,b, 2004) for Mg, Si, S, Ar, Ca, Fe, and Ni.

  5. Non-equilibrium ionized blast wave

    NASA Technical Reports Server (NTRS)

    Wu, S. T.

    1974-01-01

    The structure of a cylindrical blast wave with ionization at non-LTE conditions was calculated using equations previously developed by Wu and Fu (1970). The degree of ionization was predicted by a modified Saha equation. Temperature profiles show that the temperature at non-LTE conditions is lower than at LTE near the shock front. This corresponds to a higher degree of ionization for the non-LTE limit, which indicates that the neutral gas absorption is much more efficient at non-LTE than at the LTE limit. The decaying velocity under non-LTE is approximately 15% less than under LTE.

  6. SCREENED COULOMB FORMULATION OF THE IONIZATION EQUILIBRIUM EQUATION OF STATE,

    DTIC Science & Technology

    The ionization equilibrium equation of state (IEEOS) is formulated relative to the numerical solutions of the Schrodinger equation with the complete...for hydrogen and iron, where pressures at high densities and temperature are compared with pressures from the equation of state based upon the Thomas...IEEOS represents a significant improvement over the TFD equation of state . (Author)

  7. Non-Equilibrium Ionization Modeling of Coronal Mass Ejections

    NASA Astrophysics Data System (ADS)

    Rimple, Remington; Murphy, Nicholas Arnold; Shen, Chengcai

    2017-01-01

    Coronal Mass Ejections, or CMEs, are solar events that eject plasma and magnetic flux into interplanetary space. Contemporary sources have noted that the onset of CMEs are caused by some instability of the coronal magnetic field, and further allows heating of plasma upon expansion. Additionally, plasma that leaves the lower solar corona does not remain in ionization equilibrium due to the rapid expansion of plasma. We investigate the evolution of charge states of CME plasma using non-equilibrium ionization (NEI) modeling. These NEI models include radiative cooling and serve as baseline studies for special cases where no heat is being added to the plasma. Each of the simulated CMEs have initial conditions characteristic of active regions. Various function inputs, such as initial temperature, density and final velocity, allow us to examine the influence of certain parameters on the charge state evolution. The results of our project show that plasma originating from active regions display charge state evolutions substantially dependent on initial density and temperature. The CMEs starting with higher plasma density often show an abundance of lower charge states above the freeze-in height. Simulations starting from higher temperatures often show abundance peaks at charge states with closed electron shells.

  8. Non-equilibrium Helium Ionization in an MHD Simulation of the Solar Atmosphere

    NASA Astrophysics Data System (ADS)

    Golding, Thomas Peter; Leenaarts, Jorrit; Carlsson, Mats

    2016-02-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11-18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed.

  9. NON-EQUILIBRIUM HELIUM IONIZATION IN AN MHD SIMULATION OF THE SOLAR ATMOSPHERE

    SciTech Connect

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit E-mail: mats.carlsson@astro.uio.no

    2016-02-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11–18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed.

  10. On local ionization equilibrium and disk winds in QSOs

    SciTech Connect

    Pereyra, Nicolas A.

    2014-11-01

    We present theoretical C IV λλ1548,1550 absorption line profiles for QSOs calculated assuming the accretion disk wind (ADW) scenario. The results suggest that the multiple absorption troughs seen in many QSOs may be due to the discontinuities in the ion balance of the wind (caused by X-rays), rather than discontinuities in the density/velocity structure. The profiles are calculated from a 2.5-dimensional time-dependent hydrodynamic simulation of a line-driven disk wind for a typical QSO black hole mass, a typical QSO luminosity, and for a standard Shakura-Sunyaev disk. We include the effects of ionizing X-rays originating from within the inner disk radius by assuming that the wind is shielded from the X-rays from a certain viewing angle up to 90° ({sup e}dge on{sup )}. In the shielded region, we assume constant ionization equilibrium, and thus constant line-force parameters. In the non-shielded region, we assume that both the line-force and the C IV populations are nonexistent. The model can account for P-Cygni absorption troughs (produced at edge on viewing angles), multiple absorption troughs (produced at viewing angles close to the angle that separates the shielded region and the non-shielded region), and for detached absorption troughs (produced at an angle in between the first two absorption line types); that is, the model can account for the general types of broad absorption lines seen in QSOs as a viewing angle effect. The steady nature of ADWs, in turn, may account for the steady nature of the absorption structure observed in multiple-trough broad absorption line QSOs. The model parameters are M {sub bh} = 10{sup 9} M {sub ☉} and L {sub disk} = 10{sup 47} erg s{sup –1}.

  11. State densities and ionization equilibrium of atoms in dense plasmas

    NASA Astrophysics Data System (ADS)

    Shimamura, Isao; Fujimoto, Takashi

    1990-08-01

    The semiclassical Bohr-Sommerfeld quantization condition is used to derive an approximate analytical expression for the state density of the hydrogen atom in a dense plasma. An ion-sphere model with an infinitely high potential wall is assumed. The expression leads to a universal curve that spans all values of the electron density. The curve is continuous and smooth over the entire energy range, starting from the hydrogenic state density for low-lying bound states and approaching the plane-wave state density in the high-energy limit of the continuum. The number of bound states is approximately proportional to the inverse of the square root of the electron density. Integration of the state density over the Boltzmann distribution of the electronic energy results in an ionization equilibrium relation, leading to modified Saha's equation. The correction factor for this modified equation is a function of both the electron temperature and the electron density, and is expressed as a universal function of the ion coupling parameter.

  12. Non-equilibrium Ionization Modeling of Simulated Pseudostreamers in a Solar Corona Model

    NASA Astrophysics Data System (ADS)

    Shen, Chengcai; Raymond, John C.; Mikić, Zoran; Linker, Jon; Reeves, Katharine K.; Murphy, Nicholas A.

    2015-04-01

    Time-dependent ionization is important for diagnostics of coronal streamers, where the thermodynamic time scale could be shorter than the ionization or recombination time scales, and ions are therefor in non-equilibrium ionization states. In this work, we perform post-processing time-dependent ionization calculations for a three dimensional solar corona and inner heliosphere model from Predictive Sciences Inc. (Mikić & Linker 1999) to analyze the influence of non-equilibrium ionization on emission from coronal streamers. Using the plasma temperature, density, velocity and magnetic field distributions provided by the 3D MHD simulation covering the Whole Sun Month (Carrington rotation CR1913, 1996 August 22 to September 18), we calculate non-equilibrium ionization states in the region around a pseudostreamer. We then obtain the synthetic emissivities with the non-equilibrium ion populations. Under the assumption that the corona is optically thin, we also obtain intensity profiles of several emission lines. We compare our calculations with intensities of Lyman-alpha lines and OVI lines from SOHO/Ultraviolet Coronagraph Spectrometer (UVCS) observations at 14 different heights. The results show that intensity profiles of both Lyman-alpha and OVI lines match well UVCS observations at low heights. At large heights, OVI intensites are higher for non-equilibrium ionization than equilibrium ionization inside this pseudostreamer. The assumption of ionization equilibrium would lead to a underestimate of the OVI intensity by about ten percent at a height of 2 solar radii, and the difference between these two ionization cases increases with height. The intensity ratio of OVI 1032 line to OVI 1037 lines is also obtained for non-equilibrium ionization modeling.

  13. The equation of state and ionization equilibrium of dense aluminum plasma with conductivity verification

    SciTech Connect

    Wang, Kun; Shi, Zongqian; Shi, Yuanjie; Bai, Jun; Wu, Jian; Jia, Shenli

    2015-06-15

    The equation of state, ionization equilibrium, and conductivity are the most important parameters for investigation of dense plasma. The equation of state is calculated with the non-ideal effects taken into consideration. The electron chemical potential and pressure, which are commonly used thermodynamic quantities, are calculated by the non-ideal free energy and compared with results of a semi-empirical equation of state based on Thomas-Fermi-Kirzhnits model. The lowering of ionization potential, which is a crucial factor in the calculation of non-ideal Saha equation, is settled according to the non-ideal free energy. The full coupled non-ideal Saha equation is applied to describe the ionization equilibrium of dense plasma. The conductivity calculated by the Lee-More-Desjarlais model combined with non-ideal Saha equation is compared with experimental data. It provides a possible approach to verify the accuracy of the equation of state and ionization equilibrium.

  14. NON-EQUILIBRIUM IONIZATION MODELING OF THE CURRENT SHEET IN A SIMULATED SOLAR ERUPTION

    SciTech Connect

    Shen Chengcai; Reeves, Katharine K.; Raymond, John C.; Murphy, Nicholas A.; Ko, Yuan-Kuen; Lin Jun; Mikic, Zoran; Linker, Jon A.

    2013-08-20

    The current sheet that extends from the top of flare loops and connects to an associated flux rope is a common structure in models of coronal mass ejections (CMEs). To understand the observational properties of CME current sheets, we generated predictions from a flare/CME model to be compared with observations. We use a simulation of a large-scale CME current sheet previously reported by Reeves et al. This simulation includes ohmic and coronal heating, thermal conduction, and radiative cooling in the energy equation. Using the results of this simulation, we perform time-dependent ionization calculations of the flow in a CME current sheet and construct two-dimensional spatial distributions of ionic charge states for multiple chemical elements. We use the filter responses from the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory and the predicted intensities of emission lines to compute the count rates for each of the AIA bands. The results show differences in the emission line intensities between equilibrium and non-equilibrium ionization. The current sheet plasma is underionized at low heights and overionized at large heights. At low heights in the current sheet, the intensities of the AIA 94 A and 131 A channels are lower for non-equilibrium ionization than for equilibrium ionization. At large heights, these intensities are higher for non-equilibrium ionization than for equilibrium ionization inside the current sheet. The assumption of ionization equilibrium would lead to a significant underestimate of the temperature low in the current sheet and overestimate at larger heights. We also calculate the intensities of ultraviolet lines and predict emission features to be compared with events from the Ultraviolet Coronagraph Spectrometer on the Solar and Heliospheric Observatory, including a low-intensity region around the current sheet corresponding to this model.

  15. Spontaneity and Equilibrium II: Multireaction Systems

    ERIC Educational Resources Information Center

    Raff, Lionel M.

    2014-01-01

    The thermodynamic criteria for spontaneity and equilibrium in multireaction systems are developed and discussed. When N reactions are occurring simultaneously, it is shown that G and A will depend upon N independent reaction coordinates, ?a (a = 1,2, ..., N), in addition to T and p for G or T and V for A. The general criteria for spontaneity and…

  16. H to Zn Ionization Equilibrium for the Non-Maxwellian Electron κ-distributions: Updated Calculations

    NASA Astrophysics Data System (ADS)

    Dzifčáková, E.; Dudík, J.

    2013-05-01

    New data for the calculation of ionization and recombination rates have been published in the past few years, most of which are included in the CHIANTI database. We used these data to calculate collisional ionization and recombination rates for the non-Maxwellian κ-distributions with an enhanced number of particles in the high-energy tail, which have been detected in the solar transition region and the solar wind. Ionization equilibria for elements H to Zn are derived. The κ-distributions significantly influence both the ionization and recombination rates and widen the ion abundance peaks. In comparison with the Maxwellian distribution, the ion abundance peaks can also be shifted to lower or higher temperatures. The updated ionization equilibrium calculations result in large changes for several ions, notably Fe VIII-Fe XIV. The results are supplied in electronic form compatible with the CHIANTI database.

  17. Hydrodynamic Models of Line-Driven Accretion Disk Winds III: Local Ionization Equilibrium

    NASA Technical Reports Server (NTRS)

    Pereyra, Nicolas Antonio; Kallman, Timothy R.; White, Nicholas E. (Technical Monitor)

    2002-01-01

    We present time-dependent numerical hydrodynamic models of line-driven accretion disk winds in cataclysmic variable systems and calculate wind mass-loss rates and terminal velocities. The models are 2.5-dimensional, include an energy balance condition with radiative heating and cooling processes, and includes local ionization equilibrium introducing time dependence and spatial dependence on the line radiation force parameters. The radiation field is assumed to originate in an optically thick accretion disk. Wind ion populations are calculated under the assumption that local ionization equilibrium is determined by photoionization and radiative recombination, similar to a photoionized nebula. We find a steady wind flowing from the accretion disk. Radiative heating tends to maintain the temperature in the higher density wind regions near the disk surface, rather than cooling adiabatically. For a disk luminosity L (sub disk) = solar luminosity, white dwarf mass M(sub wd) = 0.6 solar mass, and white dwarf radii R(sub wd) = 0.01 solar radius, we obtain a wind mass-loss rate of M(sub wind) = 4 x 10(exp -12) solar mass yr(exp -1) and a terminal velocity of approximately 3000 km per second. These results confirm the general velocity and density structures found in our earlier constant ionization equilibrium adiabatic CV wind models. Further we establish here 2.5D numerical models that can be extended to QSO/AGN winds where the local ionization equilibrium will play a crucial role in the overall dynamics.

  18. Helium Ionization in the Diffuse Ionized Gas Surrounding UCH ii Regions

    NASA Astrophysics Data System (ADS)

    Anish Roshi, D.; Churchwell, E.; Anderson, L. D.

    2017-04-01

    We present measurements of the singly ionized helium-to-hydrogen ratio ({n}{{He}+}/{n}{{{H}}+}) toward diffuse gas surrounding three ultracompact H ii (UCH ii) regions: G10.15-0.34, G23.46-0.20, and G29.96-0.02. We observe radio recombination lines of hydrogen and helium near 5 GHz using the GBT to measure the {n}{{He}+}/{n}{{{H}}+} ratio. The measurements are motivated by the low helium ionization observed in the warm ionized medium and in the inner Galaxy diffuse ionized regions. Our data indicate that the helium is not uniformly ionized in the three observed sources. Helium lines are not detected toward a few observed positions in sources G10.15-0.34 and G23.46-0.20, and the upper limits of the {n}{{He}+}/{n}{{{H}}+} ratio obtained are 0.03 and 0.05, respectively. The selected sources harbor stars of type O6 or hotter as indicated by helium line detection toward the bright radio continuum emission from the sources with mean {n}{{He}+}/{n}{{{H}}+} value 0.06 ± 0.02. Our data thus show that helium in diffuse gas located a few parsecs away from the young massive stars embedded in the observed regions is not fully ionized. We investigate the origin of the nonuniform helium ionization and rule out the possibilities (a) that the helium is doubly ionized in the observed regions and (b) that the low {n}{{He}+}/{n}{{{H}}+} values are due to additional hydrogen ionizing radiation produced by accreting low-mass stars. We find that selective absorption of ionizing photons by dust can result in low helium ionization but needs further investigation to develop a self-consistent model for dust in H ii regions.

  19. Non-equilibrium chemistry and cooling in the diffuse interstellar medium - II. Shielded gas

    NASA Astrophysics Data System (ADS)

    Richings, A. J.; Schaye, J.; Oppenheimer, B. D.

    2014-08-01

    We extend the non-equilibrium model for the chemical and thermal evolution of diffuse interstellar gas presented in Richings et al. to account for shielding from the UV radiation field. We attenuate the photochemical rates by dust and by gas, including absorption by H I, H2, He I, He II and CO where appropriate. We then use this model to investigate the dominant cooling and heating processes in interstellar gas as it becomes shielded from the UV radiation. We consider a one-dimensional plane-parallel slab of gas irradiated by the interstellar radiation field, either at constant density and temperature or in thermal and pressure equilibrium. The dominant thermal processes tend to form three distinct regions in the clouds. At low column densities, cooling is dominated by ionized metals such as Si II, Fe II, Fe III and C II, which are balanced by photoheating, primarily from H I. Once the hydrogen-ionizing radiation becomes attenuated by neutral hydrogen, photoelectric dust heating dominates, while C II becomes dominant for cooling. Finally, dust shielding triggers the formation of CO and suppresses photoelectric heating. The dominant coolants in this fully shielded region are H2 and CO. The column density of the H I-H2 transition predicted by our model is lower at higher density (or at higher pressure for gas clouds in pressure equilibrium) and at higher metallicity, in agreement with previous photodissociation region models. We also compare the H I-H2 transition in our model to two prescriptions for molecular hydrogen formation that have been implemented in hydrodynamic simulations.

  20. Search for the Non-Equilibrium Ionization State in Merging Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Inoue, Shota; Hayashida, Kiyoshi; Ueda, Shutaro; Nagino, Ryo; Tsunemi, Hiroshi; Koyama, Katsuji

    2015-08-01

    Galaxy clusters are considered that they have evolved by their merging. Many observations of the merging cluster with their shock wave are reported recently (e.g. Akamatsu et al. 2012, PASJ, 64, 67, Bourdin et al. 2013, ApJ, 764, 82). If the shock heats the plasma, the non-equilibrium ionization (NEI) state occurs. Even so, an intracluster medium (ICM) is assumed that it is in collisional ionization equilibrium state, because the timescale of the evolution of galaxy clusters is longer than the timescale that the NEI plasma reaches the equilibrium state. Actually, no observation of the NEI plasma in the ICM is reported. However, for the merging cluster, if its merging timescale is 108 yr, the condition of the NEI state of the ionization parameter (net <1013 s/cm3) is filled in the ICM with the electron density of ~10-3 /cm3. In fact, numerical simulation of the merging cluster shows that the NEI state in the ICM occurs due to the shock heating (e.g. Akahori & Yoshikawa 2010, PASJ, 62, 335). Our purpose is to detect the NEI plasma in the merging cluster, to estimate its timescale from the shock heating quantitatively by ionization parameter to reveal the cluster evolution.From this point, we have analyzed the ionization state of the merging cluster, Abell 754. We used the Suzaku observation data and measured the ratio of the intensities of He-like Fe and H-like Fe lines. As a result, we find that the temperature in the cluster increases from southeast to northwest along the direction of merging. Furthermore, at the specific region with highest temperature (kT = 13.3+1.41-1.14 keV), we find the plasma with ionization parameter, net = 6.98+14.57-3.92 x1011 s/cm3. Its timescale estimated by the ionization parameter is 7.7~54.4 Myr in 90% confidence level. We conclude that the plasma in this region is NEI state due to the recent shock heating. The Ionization state in the ICM can provide a physically meaningful way to estimate the phase and/or timescale of the merging

  1. INFLUENCE OF ELECTRON-IMPACT MULTIPLE IONIZATION ON EQUILIBRIUM AND DYNAMIC CHARGE STATE DISTRIBUTIONS: A CASE STUDY USING IRON

    SciTech Connect

    Hahn, M.; Savin, D. W.

    2015-02-10

    We describe the influence of electron-impact multiple ionization (EIMI) on the ionization balance of collisionally ionized plasmas. Previous ionization balance calculations have largely neglected EIMI. Here, EIMI cross-section data are incorporated into calculations of both equilibrium and non-equilibrium charge-state distributions (CSDs). For equilibrium CSDs, we find that EIMI has only a small effect and can usually be ignored. However, for non-equilibrium plasmas the influence of EIMI can be important. In particular, we find that for plasmas in which the temperature oscillates there are significant differences in the CSD when including versus neglecting EIMI. These results have implications for modeling and spectroscopy of impulsively heated plasmas, such as nanoflare heating of the solar corona.

  2. Effective temperature of ionizing stars of extragalactic H II regions

    NASA Astrophysics Data System (ADS)

    Dors, O. L.; Hägele, G. F.; Cardaci, M. V.; Krabbe, A. C.

    2017-04-01

    The effective temperature (Teff) of the radiation field of the ionizing star(s) of a large sample of extragalactic H II regions was estimated using the R = log([O II] (λλ3726 + 29)/[O III] λ5007) index. We used a grid of photoionization models to calibrate the Teff-R relation finding that it has a strong dependence with the ionizing parameter, while it shows a weak direct dependence with the metallicity (variations in Z imply variations in U) of both the stellar atmosphere of the ionizing star and the gas phase of the H II region. Since the R index varies slightly with the Teff for values larger than 40 kK, the R index can be used to derive the Teff in the 30-40 kK range. A large fraction of the ionization parameter variation is due to differences in the temperature of the ionizing stars and then the use of the (relatively) low Teff dependent S2 = [S II] (λλ6717 + 31)/Hα emission-line ratio to derive the ionization parameter is preferable over others in the literature. We propose linear metallicity dependent relationships between S2 and U. Teff and metallicity estimations for a sample of 865 H II regions, whose emission-line intensities were compiled from the literature, do not show any Teff-Z correlation. On the other hand, it seems to be hints of the presence of an anticorrelation between Teff-U. We found that the majority of the studied H II regions (∼87 per cent) present Teff values in the range between 37 and 40 kK, with an average value of 38.5(±1) kK. We also studied the variation of Teff as a function of the galactocentric distance for 14 spiral galaxies. Our results are in agreement with the idea of the existence of positive Teff gradients along the disc of spiral galaxies.

  3. Theoretical and Experimental Research of Capabilities of MHD Technology to Control Gas Flow with Non-Equilibrium Ionization

    DTIC Science & Technology

    2007-11-02

    experimental research of capabilities of using of MHD technology to control gas flow with non-equilibrium ionization. Cold gas flows will be considered, where...and MHD generator will be developed. Requirements to ionizer, MHD generator and flow parameters at which self- sustained operational mode of ionizer and...MHD generator is realized will be formulated. Possibilities of using of MHD control in gas-dynamical systems will be considered. Traditional use of

  4. Analyses on the Ionization Instability of Non-Equilibrium Seeded Plasma in an MHD Generator

    NASA Astrophysics Data System (ADS)

    Le, Chi Kien

    2016-06-01

    Recently, closed cycle magnetohydrodynamic power generation system research has been focused on improving the isentropic efficiency and the enthalpy extraction ratio. By reducing the cross-section area ratio of the disk magnetohydrodynamic generator, it is believed that a high isentropic efficiency can be achieved with the same enthalpy extraction. In this study, the result relating to a plasma state which takes into account the ionization instability of non-equilibrium seeded plasma is added to the theoretical prediction of the relationship between enthalpy extraction and isentropic efficiency. As a result, the electron temperature which reaches the seed complete ionization state without the growth of ionization instability can be realized at a relatively high seed fraction condition. However, the upper limit of the power generation performance is suggested to remain lower than the value expected in the low seed fraction condition. It is also suggested that a higher power generation performance may be obtained by implementing the electron temperature range which reaches the seed complete ionization state at a low seed fraction.

  5. Effect of neutrino rest mass on ionization equilibrium freeze-out

    NASA Astrophysics Data System (ADS)

    Grohs, E.; Fuller, G. M.; Kishimoto, C. T.; Paris, M. W.

    2015-12-01

    We show how small neutrino rest masses can increase the expansion rate near the photon decoupling epoch in the early Universe, causing an earlier, higher temperature freeze-out for ionization equilibrium compared to the massless neutrino case. This yields a larger free-electron fraction, thereby affecting the photon diffusion length differently than the sound horizon at photon decoupling. This neutrino-mass and recombination effect depends strongly on the neutrino rest masses. Though below current sensitivity, this effect could be probed by next-generation cosmic microwave background experiments, giving another observational handle on neutrino rest mass.

  6. Effect of neutrino rest mass on ionization equilibrium freeze-out

    SciTech Connect

    Grohs, Evan Bradley; Fuller, George M.; Kishimoto, Chad T.; Paris, Mark W.

    2015-12-23

    We show how small neutrino rest masses can increase the expansion rate near the photon decoupling epoch in the early Universe, causing an earlier, higher temperature freeze-out for ionization equilibrium compared to the massless neutrino case. This yields a larger free-electron fraction, thereby affecting the photon diffusion length differently than the sound horizon at photon decoupling. This neutrino-mass and recombination effect depends strongly on the neutrino rest masses. Ultimately, though below current sensitivity, this effect could be probed by next-generation cosmic microwave background experiments, giving another observational handle on neutrino rest mass.

  7. Equilibrium and Redox Kinetics of Copper(II)-Thiourea Complexes.

    PubMed

    Doona, Christopher J.; Stanbury, David M.

    1996-05-22

    Stopped-flow spectrophotometric measurements identify and determine equilibrium data for thiourea (tu) complexes of copper(II) formed in aqueous solution. In excess Cu(II), the complex ion [Cu(tu)](2+) has a stability constant beta(1) = 2.3 +/- 0.1 M(-)(1) and molar absorptivity at 340 nm of epsilon(1) = (4.0 +/- 0.2) x 10(3) M(-)(1) cm(-)(1) at 25.0 degrees C, 2.48 mM HClO(4), and &mgr; = 464 mM (NaClO(4)). The fast reduction of Cu(II) by excess tu obeys the rate law -d[Cu(II)]/dt = k'[Cu(II)](2)[tu](7) with a value for the ninth-order rate constant k' = (1.60 +/- 0.18) x 10(14) M(-)(8) s(-)(1), which derives from a rate-determining step involving the bimolecular decomposition of two complexed Cu(II) species. Copper(II) catalyzes the reduction of hexachloroiridate(IV) by tu according to the rate law -d[IrCl(6)(2)(-)]/dt = (k(2,unc)[tu](2) + k(1,cat) [tu](5)[Cu(II)])[IrCl(6)(2)(-)]. Least-squares analysis yields values of k(2,unc) and k(1,cat) equaling 385 +/- 4 M(-)(2) s(-)(1) and (3.7 +/- 0.1) x 10(13) M(-)(6) s(-)(1), respectively, at &mgr; = 115 mM (NaClO(4)). The corresponding mechanism has a rate-determining step that involves the oxidation of [Cu(II)(tu)(5)](2+) by [IrCl(6)](2)(-) rather than the bimolecular reaction of two cupric-tu complexes.

  8. Ionization Front Instabilities in Primordial H II Regions

    NASA Astrophysics Data System (ADS)

    Whalen, Daniel; Norman, Michael L.

    2008-02-01

    Radiative cooling by metals in shocked gas mediates the formation of ionization front instabilities in the galaxy today that are responsible for a variety of phenomena in the interstellar medium, from the morphologies of nebulae to triggered star formation in molecular clouds. An important question in early reionization and chemical enrichment of the intergalactic medium is whether such instabilities arose in the H II regions of the first stars and primeval galaxies, which were devoid of metals. We present three-dimensional numerical simulations that reveal both shadow and thin-shell instabilities readily formed in primordial gas. We find that the hard UV spectra of Population III stars broadened primordial ionization fronts, causing H2 formation capable of inciting violent thin-shell instabilities in D-type fronts, even in the presence of intense Lyman-Werner flux. The high postfront gas temperatures associated with He ionization sustained and exacerbated shadow instabilities, unaided by molecular hydrogen cooling. Our models indicate that metals eclipsed H2 cooling in I-front instabilities at modest concentrations, from 1 × 10-3 to 1 × 10-2 Z⊙. We conclude that ionization front instabilities were prominent in the H II regions of the first stars and galaxies, influencing the escape of ionizing radiation and metals into the early universe.

  9. Relaxation from Steady States Far from Equilibrium and the Persistence of Anomalous Shock Behavior in Weakly Ionized Gases

    NASA Technical Reports Server (NTRS)

    Rubinstein, Robert; Auslender, Aaron H.

    1999-01-01

    The decay of anomalous effects on shock waves in weakly ionized gases following plasma generator extinction has been measured in the anticipation that the decay time must correlate well with the relaxation time of the mechanism responsible for the anomalous effects. When the relaxation times cannot be measured directly, they are inferred theoretically, usually assuming that the initial state is nearly in thermal equilibrium. In this paper, it is demonstrated that relaxation from any steady state far from equilibrium, including the state of a weakly ionized gas, can proceed much more slowly than arguments based on relaxation from near equilibrium states might suggest. This result justifies a more careful analysis of the relaxation times in weakly ionized gases and suggests that although the experimental measurements of relaxation times did not lead to an unambiguous conclusion, this approach to understanding the anomalous effects may warrant further investigation.

  10. Temperature dependence of the lumirhodopsin I-lumirhodopsin II equilibrium.

    PubMed

    Szundi, Istvan; Epps, Jacqueline; Lewis, James W; Kliger, David S

    2010-07-20

    Time-resolved absorbance measurements, over a spectral range from 300 to 700 nm, were made at delays from 1 micros to 2 ms after photoexcitation of bovine rhodopsin in hypotonically washed membrane suspensions over a range of temperature from 10 to 35 degrees C. The purpose was to better understand the reversibility of the Lumi I-Lumi II process that immediately precedes Schiff base deprotonation in the activation of rhodopsin under physiological conditions. To prevent artifacts due to rotation of rhodopsin and its photoproducts in the membrane, probe light in the time-resolved absorbance studies was polarized at the magic angle (54.7 degrees) relative to the excitation laser polarization axis. The difference spectrum associated with the Lumi I to Lumi II reaction was found to have larger amplitude at 10 degrees C compared to higher temperatures, suggesting that a significant back-reaction exists for this process and that an equilibrated mixture forms. The equilibrium favors Lumi I entropically, and van't Hoff plot curvature shows the reaction enthalpy depends on temperature. The results suggest that Lumi II changes its interaction with the membrane in a temperature-dependent way, possibly binding a membrane lipid more strongly at lower temperatures (compared to its precursor). To elucidate the origin of the time-resolved absorbance changes, linear dichroism measurements were also made at 20 degrees C. The time constant for protein rotation in the membrane was found to be identical to the time constant for the Lumi I-Lumi II process, which is consistent with a common microscopic origin. We conclude that Lumi II (the last protonated Schiff base photointermediate under physiological conditions) is the first photointermediate whose properties depend on the protein-lipid environment.

  11. Observed departures from LTE ionization equilibrium in late-type giants

    NASA Technical Reports Server (NTRS)

    Ramsey, L. W.

    1977-01-01

    Photoelectric scans of the Ca I line at 6572 A and the forbidden Ca II transition at 7323 A are studied in the K giant alpha Tau, the M supergiant alpha Ori, and the M giants beta And, alpha Cet, mu Gem, and beta Peg. The relative strengths of these lines are shown to be indicative of the ratio of the relative number densities of the neutral and ionized species in the photosphere. The analysis indicates an overionization relative to LTE in qualitative agreement with the theoretical calculations of Auman and Woodrow for the K and M giants. The M supergiant alpha Ori exhibits a large overionization relative to LTE.

  12. Testing a Dynamical Equilibrium Model of the Extraplanar Diffuse Ionized Gas in NGC 891

    NASA Astrophysics Data System (ADS)

    Boettcher, Erin; Zweibel, Ellen G.; Gallagher, J. S., III; Benjamin, Robert A.

    2016-12-01

    The observed scale heights of extraplanar diffuse ionized gas (eDIG) layers exceed their thermal scale heights by a factor of a few in the Milky Way and other nearby edge-on disk galaxies. Here, we test a dynamical equilibrium model of the eDIG layer in NGC 891, where we ask whether the thermal, turbulent, magnetic field, and cosmic-ray pressure gradients are sufficient to support the layer. In optical emission-line spectroscopy from the SparsePak integral field unit on the WIYN 3.5 m telescope, the Hα emission in position-velocity space suggests that the eDIG is found in a ring between galactocentric radii of {R}\\min ≤slant R≤slant 8 {kpc}, where {R}\\min ≥slant 2 {kpc}. We find that the thermal ({σ }{th}=11 km s-1) and turbulent ({σ }{turb}=25 km s-1) velocity dispersions are insufficient to satisfy the hydrostatic equilibrium equation given an exponential electron scale height of {h}z=1.0 {kpc}. Using a literature analysis of radio continuum observations from the CHANG-ES survey, we demonstrate that the magnetic field and cosmic-ray pressure gradients are sufficient to stably support the gas at R≥slant 8 kpc if the cosmic rays are sufficiently coupled to the system ({γ }{cr}=1.45). Thus, a stable dynamical equilibrium model is viable only if the eDIG is found in a thin ring around R = 8 kpc, and nonequilibrium models such as a galactic fountain flow are of interest for further study.

  13. On the Chermnykh-Like Problems: II. The Equilibrium Points

    NASA Astrophysics Data System (ADS)

    Yeh, Li-Chin; Jiang, Ing-Guey

    2006-12-01

    Motivated by Papadakis (2005a, b), we study a Chermnykh-like problem, in which an additional gravitational potential from the belt is included. In addition to the usual five equilibrium points (three collinear and two triangular points), there are some new equilibrium points for this system. We studied the conditions for the existence of these new equilibrium points both analytically and numerically.

  14. Effects of Mg II and Ca II ionization on ab-initio solar chromosphere models

    NASA Technical Reports Server (NTRS)

    Rammacher, W.; Cuntz, M.

    1991-01-01

    Acoustically heated solar chromosphere models are computed considering radiation damping by (non-LTE) emission from H(-) and by Mg II and Ca II emission lines. The radiative transfer equations for the Mg II k and Ca II K emission lines are solved using the core-saturation method with complete redistribution. The Mg II k and Ca II K cooling rates are compared with the VAL model C. Several substantial improvements over the work of Ulmschneider et al. (1987) are included. It is found that the rapid temperature rises caused by the ionization of Mg II are not formed in the middle chromosphere, but occur at larger atmospheric heights. These models represent the temperature structure of the 'real' solar chromosphere much better. This result is a major precondition for the study of ab-initio models for solar flux tubes based on MHD wave propagation and also for ab-initio models for the solar transition layer.

  15. Superconfiguration accounting approach versus average-atom model in local-thermodynamic-equilibrium highly ionized plasmas.

    PubMed

    Faussurier, G

    1999-06-01

    Statistical methods of describing and simulating complex ionized plasmas requires the development of reliable and computationally tractable models. In that spirit, we propose the screened-hydrogenic average atom, augmented with corrections resulting from fluctuations of the occupation probabilities around the mean-field equilibrium, as an approximation to calculate the grand potential and related statistical properties. Our main objective is to check the validity of this approach by comparing its predictions with those given by the superconfiguration accounting method. The latter is well-suited to this purpose. In effect, this method makes it possible to go beyond the mean-field model by using nonperturbative, analytic, and systematic techniques. Besides, it allows us to establish the relationship between the detailed configuration accounting and the average-atom methods. To our knowledge, this is the first time that the superconfiguration description has been used in this context. Finally, this study is also the occasion for presenting a powerful technique from analytic number theory to calculate superconfiguration averaged quantities.

  16. Weak Acid Ionization Constants and the Determination of Weak Acid-Weak Base Reaction Equilibrium Constants in the General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Nyasulu, Frazier; McMills, Lauren; Barlag, Rebecca

    2013-01-01

    A laboratory to determine the equilibrium constants of weak acid negative weak base reactions is described. The equilibrium constants of component reactions when multiplied together equal the numerical value of the equilibrium constant of the summative reaction. The component reactions are weak acid ionization reactions, weak base hydrolysis…

  17. INSTABILITY OF MAGNETIZED IONIZATION FRONTS SURROUNDING H II REGIONS

    SciTech Connect

    Kim, Jeong-Gyu; Kim, Woong-Tae E-mail: wkim@astro.snu.ac.kr

    2014-12-20

    An ionization front (IF) surrounding an H II region is a sharp interface where a cold neutral gas makes the transition to a warm ionized phase by absorbing UV photons from central stars. We investigate the instability of a plane-parallel D-type IF threaded by parallel magnetic fields, by neglecting the effects of recombination within the ionized gas. We find that weak D-type IFs always have the post-IF magnetosonic Mach number M{sub M2}≤1. For such fronts, magnetic fields increase the maximum propagation speed of the IFs, while reducing the expansion factor α by a factor of 1 + 1/(2β{sub 1}) compared to the unmagnetized case, with β{sub 1} denoting the plasma beta in the pre-IF region. IFs become unstable to distortional perturbations owing to gas expansion across the fronts, exactly analogous to the Darrieus-Landau instability of ablation fronts in terrestrial flames. The growth rate of the IF instability is proportional linearly to the perturbation wavenumber, as well as the upstream flow speed, and approximately to α{sup 1/2}. The IF instability is stabilized by gas compressibility and becomes completely quenched when the front is D-critical. The instability is also stabilized by magnetic pressure when the perturbations propagate in the direction perpendicular to the fields. When the perturbations propagate in the direction parallel to the fields, on the other hand, it is magnetic tension that reduces the growth rate, completely suppressing the instability when M{sub M2}{sup 2}<2/(2β{sub 1}−1). When the front experiences an acceleration, the IF instability cooperates with the Rayleigh-Taylor instability to make the front more unstable.

  18. Statistical equilibrium in simple exchange games II. The redistribution game

    NASA Astrophysics Data System (ADS)

    Garibaldi, U.; Scalas, E.; Viarengo, P.

    2007-11-01

    We propose a simple stochastic exchange game mimicking taxation and redistribution. There are g agents and n coins; taxation is modeled by randomly extracting some coins; then, these coins are redistributed to agents following Polya's scheme. The individual wealth equilibrium distribution for the resulting Markov chain is the multivariate symmetric Polya distribution. In the continuum limit, the wealth distribution converges to a Gamma distribution, whose form factor is just the initial redistribution weight. The relationship between this taxation-and-redistribution scheme and other simple conservative stochastic exchange games (such as the BDY game) is discussed.

  19. Hall instability of a weakly ionized, rotating disk with equilibrium pressure stratification and thermal loss

    SciTech Connect

    Bora, Madhurjya P.; Buzar Baruah, Manasi

    2011-01-15

    A linear stability analysis of a thin rotating Keplerian disk is presented in the framework of Hall-magnetohydrodynamics with equilibrium pressure stratification and radiative cooling. Anisotropic pressure is considered in view of a stronger axial magnetic field. The analysis is relevant in studying the stability of protoplanetary disks. It has been shown that the equilibrium pressure stratification determines the growth rate of the Hall instability. With radiative loss, the thermal modes are affected by the Hall mode and the classical instability conditions.

  20. Optimization of Electrospray Ionization by Statistical Design of Experiments and Response Surface Methodology: Protein-Ligand Equilibrium Dissociation Constant Determinations.

    PubMed

    Pedro, Liliana; Van Voorhis, Wesley C; Quinn, Ronald J

    2016-09-01

    Electrospray ionization mass spectrometry (ESI-MS) binding studies between proteins and ligands under native conditions require that instrumental ESI source conditions are optimized if relative solution-phase equilibrium concentrations between the protein-ligand complex and free protein are to be retained. Instrumental ESI source conditions that simultaneously maximize the relative ionization efficiency of the protein-ligand complex over free protein and minimize the protein-ligand complex dissociation during the ESI process and the transfer from atmospheric pressure to vacuum are generally specific for each protein-ligand system and should be established when an accurate equilibrium dissociation constant (KD) is to be determined via titration. In this paper, a straightforward and systematic approach for ESI source optimization is presented. The method uses statistical design of experiments (DOE) in conjunction with response surface methodology (RSM) and is demonstrated for the complexes between Plasmodium vivax guanylate kinase (PvGK) and two ligands: 5'-guanosine monophosphate (GMP) and 5'-guanosine diphosphate (GDP). It was verified that even though the ligands are structurally similar, the most appropriate ESI conditions for KD determination by titration are different for each. Graphical Abstract ᅟ.

  1. Optimization of Electrospray Ionization by Statistical Design of Experiments and Response Surface Methodology: Protein-Ligand Equilibrium Dissociation Constant Determinations

    NASA Astrophysics Data System (ADS)

    Pedro, Liliana; Van Voorhis, Wesley C.; Quinn, Ronald J.

    2016-09-01

    Electrospray ionization mass spectrometry (ESI-MS) binding studies between proteins and ligands under native conditions require that instrumental ESI source conditions are optimized if relative solution-phase equilibrium concentrations between the protein-ligand complex and free protein are to be retained. Instrumental ESI source conditions that simultaneously maximize the relative ionization efficiency of the protein-ligand complex over free protein and minimize the protein-ligand complex dissociation during the ESI process and the transfer from atmospheric pressure to vacuum are generally specific for each protein-ligand system and should be established when an accurate equilibrium dissociation constant (KD) is to be determined via titration. In this paper, a straightforward and systematic approach for ESI source optimization is presented. The method uses statistical design of experiments (DOE) in conjunction with response surface methodology (RSM) and is demonstrated for the complexes between Plasmodium vivax guanylate kinase ( PvGK) and two ligands: 5'-guanosine monophosphate (GMP) and 5'-guanosine diphosphate (GDP). It was verified that even though the ligands are structurally similar, the most appropriate ESI conditions for KD determination by titration are different for each.

  2. Thermal equilibrium/disequilibrium features in the excited-state temperature of atomic helium in MAP-II divertor simulator

    NASA Astrophysics Data System (ADS)

    Kado, S.

    2015-08-01

    Doppler-Stark spectrometry and laser Thomson scattering diagnostics for helium plasmas were applied to the MAP-II (material and plasma) steady-state linear divertor simulator at the University of Tokyo. In recombining plasmas, as the volumetric recombination proceeded, atomic, ionic and electron temperatures converged to the same values, which indicated the achievement of thermal equilibrium. On the other hand, in ionizing plasmas, in addition to the collisional heating of bulk atoms, excess heating of atoms in the high principal quantum number states (above Griem's boundary) was observed. This disequilibrium feature can be attributed to the presence of two prevailing conditions: that the characteristic time of the charge-exchange process of the atoms with ions in the system became shorter than the lifetime of the excited atoms spent above Griem's boundary, and that the population influx from above Griem's boundary is considerably larger than that from below the boundary.

  3. CALIBRATION OF EQUILIBRIUM TIDE THEORY FOR EXTRASOLAR PLANET SYSTEMS. II

    SciTech Connect

    Hansen, Brad M. S.

    2012-09-20

    We present a new empirical calibration of equilibrium tidal theory for extrasolar planet systems, extending a prior study by incorporating detailed physical models for the internal structure of planets and host stars. The resulting strength of the stellar tide produces a coupling that is strong enough to reorient the spins of some host stars without causing catastrophic orbital evolution, thereby potentially explaining the observed trend in alignment between stellar spin and planetary orbital angular momentum. By isolating the sample whose spins should not have been altered in this model, we also show evidence for two different processes that contribute to the population of planets with short orbital periods. We apply our results to estimate the remaining lifetimes for short-period planets, examine the survival of planets around evolving stars, and determine the limits for circularization of planets with highly eccentric orbits. Our analysis suggests that the survival of circularized planets is strongly affected by the amount of heat dissipated, which is often large enough to lead to runaway orbital inflation and Roche lobe overflow.

  4. IONIZATION IN ATMOSPHERES OF BROWN DWARFS AND EXTRASOLAR PLANETS. II. DUST-INDUCED COLLISIONAL IONIZATION

    SciTech Connect

    Helling, Ch.; Jardine, M.; Mokler, F.

    2011-08-10

    Observations have shown that continuous radio emission and also sporadic H{alpha} and X-ray emission are prominent in singular, low-mass objects later than spectral class M. These activity signatures are interpreted as being caused by coupling of an ionized atmosphere to the stellar magnetic field. What remains a puzzle, however, is the mechanism by which such a cool atmosphere can produce the necessary level of ionization. At these low temperatures, thermal gas processes are insufficient, but the formation of clouds sets in. Cloud particles can act as seeds for electron avalanches in streamers that ionize the ambient gas, and can lead to lightning and indirectly to magnetic field coupling, a combination of processes also expected for protoplanetary disks. However, the precondition is that the cloud particles are charged. We use results from DRIFT-PHOENIX model atmospheres to investigate collisional processes that can lead to the ionization of dust grains inside clouds. We show that ionization by turbulence-induced dust-dust collisions is the most efficient kinetic process. The efficiency is highest in the inner cloud where particles grow quickly and, hence, the dust-to-gas ratio is high. Dust-dust collisions alone are not sufficient to improve the magnetic coupling of the atmosphere inside the cloud layers, but the charges supplied either on grains or within the gas phase as separated electrons can trigger secondary nonlinear processes. Cosmic rays are likely to increase the global level of ionization, but their influence decreases if a strong, large-scale magnetic field is present as on brown dwarfs. We suggest that although thermal gas ionization declines in objects across the fully convective boundary, dust charging by collisional processes can play an important role in the lowest mass objects. The onset of atmospheric dust may therefore correlate with the anomalous X-ray and radio emission in atmospheres that are cool, but charged more than expected by pure

  5. Prompt ionization in the CRIT II barium releases. [Critical Ionization Tests

    NASA Technical Reports Server (NTRS)

    Torbert, R. B.; Kletzing, C. A.; Liou, K.; Rau, D.

    1992-01-01

    Observations of electron and ion distributions inside a fast neutral barium jet in the ionosphere show significant fluxes within 4 km of release, presumably related to beam plasma instability processes involved in the Critical Ionization Velocity (CIV) effect. Electron fluxes exceeding 5 x 10 exp 12/sq cm-str-sec-keV were responsible for ionizing both the streaming barium and ambient oxygen. Resulting ion fluxes seem to be consistent with 1-2 percent ionization of the fast barium, as reported by optical observations, although the extended spatial distribution of the optically observed ions is difficult to reconcile with the in situ observations. When the perpendicular velocity of the neutrals falls below critical values, these processes shut off. Although these observations resemble the earlier Porcupine experimental results (Haerendel, 1982), theoretical understanding of the differences between these data and that of earlier negative experiments is still lacking.

  6. Prompt ionization in the CRIT II barium releases

    NASA Astrophysics Data System (ADS)

    Torbert, R. B.; Kletzing, C. A.; Liou, K.; Rau, D.

    1992-05-01

    Observations of electron and ion distributions inside a fast neutral barium jet in the ionosphere show significant fluxes within 4 km of release, presumably related to beam plasma instability processes involved in the Critical Ionization Velocity (CIV) effect. Electron fluxes exceeding 5 x 10 exp 12/sq cm-str-sec-keV were responsible for ionizing both the streaming barium and ambient oxygen. Resulting ion fluxes seem to be consistent with 1-2 percent ionization of the fast barium, as reported by optical observations, although the extended spatial distribution of the optically observed ions is difficult to reconcile with the in situ observations. When the perpendicular velocity of the neutrals falls below critical values, these processes shut off. Although these observations resemble the earlier Porcupine experimental results (Haerendel, 1982), theoretical understanding of the differences between these data and that of earlier negative experiments is still lacking.

  7. Single-photon double ionization of H2 away from equilibrium: A showcase of two-center electron interference

    NASA Astrophysics Data System (ADS)

    Serov, Vladislav V.; Ivanov, I. A.; Kheifets, A. S.

    2012-08-01

    We demonstrate the effect of two-center interference on single-photon double ionization [double photoionization (DPI)] of the aligned H2 molecule when it shrinks or expands from the equilibrium internuclear distance. This interference affects the first stage of the DPI process in which the primary photoelectron is ejected predominantly along the polarization axis of light and its geometrical interference factor is most sensitive to the internuclear distance in the parallel (Σ) orientation of the internuclear and polarization axes. This effect is responsible for strong modification of the DPI amplitude in the parallel orientation while the corresponding amplitude for the perpendicular (Π) orientation is rather insensitive to the internuclear distance. The combination of these two factors explains the profound kinetic energy release effect on the fully differential cross sections of DPI of H2.

  8. Evidence for equilibrium iron isotope fractionation by nitrate-reducing iron(II)-oxidizing bacteria

    PubMed Central

    Kappler, A.; Johnson, C.M.; Crosby, H.A.; Beard, B.L.; Newman, D.K.

    2010-01-01

    Iron isotope fractionations produced during chemical and biological Fe(II) oxidation are sensitive to the proportions and nature of dissolved and solid-phase Fe species present, as well as the extent of isotopic exchange between precipitates and aqueous Fe. Iron isotopes therefore potentially constrain the mechanisms and pathways of Fe redox transformations in modern and ancient environments. In the present study, we followed in batch experiments Fe isotope fractionations between Fe(II)aq and Fe(III) oxide/hydroxide precipitates produced by the Fe(III) mineral encrusting, nitrate-reducing, Fe(II)-oxidizing Acidovorax sp. strain BoFeN1. Isotopic fractionation in 56Fe/54Fe approached that expected for equilibrium conditions, assuming an equilibrium Δ56FeFe(OH)3 – Fe(II)aq fractionation factor of +3.0 ‰. Previous studies have shown that Fe(II) oxidation by this Acidovorax strain occurs in the periplasm, and we propose that Fe isotope equilibrium is maintained through redox cycling via coupled electron and atom exchange between Fe(II)aq and Fe(III) precipitates in the contained environment of the periplasm. In addition to the apparent equilibrium isotopic fractionation, these experiments also record the kinetic effects of initial rapid oxidation, and possible phase transformations of the Fe(III) precipitates. Attainment of Fe isotope equilibrium between Fe(III) oxide/hydroxide precipitates and Fe(II)aq by neutrophilic, Fe(II)-oxidizing bacteria or through abiologic Fe(II)aq oxidation is generally not expected or observed, because the poor solubility of their metabolic product, i.e. Fe(III), usually leads to rapid precipitation of Fe(III) minerals, and hence expression of a kinetic fractionation upon precipitation; in the absence of redox cycling between Fe(II)aq and precipitate, kinetic isotope fractionations are likely to be retained. These results highlight the distinct Fe isotope fractionations that are produced by different pathways of biological and

  9. Ion flotation of cadmium(II) and zinc(II) in the presence of proton-ionizable lariat ethers.

    PubMed

    Ulewicz, Malgorzata; Walkowiak, Wladyslaw; Jang, Youngchan; Kim, Jong Seung; Bartsch, Richard A

    2003-05-15

    Competitive flotation of Cd(II) and Zn(II) from very dilute aqueous solutions by proton-ionizable lariat ethers in the presence of nonylphenol nona(ethylene glycol) ether as a nonionic foaming agent is reported. Influences of structural variation within the collector (identity of the pendent acidic group and lipophilicity), concentration of the collector, and pH of the aqueous solution are assessed. A monoethyl lariat ether phosphonic acid collector is found to exhibit high Cd(II)/Zn(II) flotation selectivity under certain conditions.

  10. Calculation of equilibrium binding constants and cooperativity of Cu(II) mixed solvated complexes formation.

    PubMed

    Kudrev, A G

    2012-11-15

    A new extension of matrix approach is proposed to calculate the equilibrium constants of coordinated solvent substitution in a metal ion first salvation shell in the mixed solvent system. The proposed method allows reducing the number of independent variables, necessary to calculate the fractions of species in solution. The equilibrium model of MeCN substitution with DMF and DMSO in the presence of Cu(II) ion for the assessment of structure of intermediate species is presented and verified. The distribution diagrams of Cu(II) species in mixed organic solvents have been analyzed using the modified matrix method. The intrinsic equilibrium constants K of the first solvent molecule replacement in the Cu(II) coordination shell and the correction for the mutual influence between the solvent molecules as ligands in the successive complex formation (cooperativity parameter w) in acetonitrile solution have been calculated from the fitting procedure. It is shown that anticooperative substitution of MeCN by donor ligands in the first coordination shell of the Cu(II) ion is always governed by the change of coordination number during the stepwise process.

  11. Equilibrium studies of cobalt(II) extraction with 2-pyridineketoxime from mixed sulphate/chloride solution.

    PubMed

    Wieszczycka, Karolina; Krupa, Marta; Wojciechowska, Aleksandra; Wojciechowska, Irmina; Olszanowski, Andrzej

    In present paper the equilibrium of cobalt extraction with 1-(2-pyridyl)tridecan-1-one oxime from the chloride/sulphate solutions was studied. The presented results indicated that extraction depends on a number of process variables, including the pH, metal and Cl(-) concentration in the aqueous feed, and concentration of the oxime in the organic phase. The created cobalt-complexes with the 2-pyridine ketoxime were stable and only concentrated HCl was found to be a suitable stripping agent for coordinated metal. The separation of Co(II) from Zn(II), Ni(II) and Cu(II) was also studied, but the selective recovery of the metals was possible using the multi-stage stripping process.

  12. Equation of state for a partially ionized gas. II.

    PubMed

    Baker, George A

    2003-11-01

    The derivation of equations of state for fluid phases of a partially ionized gas or plasma is addressed from a fundamental point of view. A spherical cellular model is deduced for the hot curve limit (or ideal Fermi gas). Next the Coulomb interactions are added to the spherical cellular model for general ionic charge Z. Then an independent electron model within a Z electron cell plus several many-body effects are employed. Numerical examples of the theory for several elements (H, Li, N, Na, K, Ni, Rb, Pd, Cs, and Er) are reported. These results reduce in various limits of temperature and density to the expected behavior. They display electron, localization-delocalization phase transitions of liquid-gas character. In the higher Z elements, a second possible critical point has been found. The critical pressure, electron density and temperature for the lower-density critical points seem to obey power laws as a function of Z.

  13. Accurate energy levels for singly ionized platinum (Pt II)

    NASA Technical Reports Server (NTRS)

    Reader, Joseph; Acquista, Nicolo; Sansonetti, Craig J.; Engleman, Rolf, Jr.

    1988-01-01

    New observations of the spectrum of Pt II have been made with hollow-cathode lamps. The region from 1032 to 4101 A was observed photographically with a 10.7-m normal-incidence spectrograph. The region from 2245 to 5223 A was observed with a Fourier-transform spectrometer. Wavelength measurements were made for 558 lines. The uncertainties vary from 0.0005 to 0.004 A. From these measurements and three parity-forbidden transitions in the infrared, accurate values were determined for 28 even and 72 odd energy levels of Pt II.

  14. Equilibrium mercury isotope fractionation between dissolved Hg(II) species and thiol-bound Hg.

    PubMed

    Wiederhold, Jan G; Cramer, Christopher J; Daniel, Kelly; Infante, Ivan; Bourdon, Bernard; Kretzschmar, Ruben

    2010-06-01

    Stable Hg isotope ratios provide a new tool to trace environmental Hg cycling. Thiols (-SH) are the dominant Hg-binding groups in natural organic matter. Here, we report experimental and computational results on equilibrium Hg isotope fractionation between dissolved Hg(II) species and thiol-bound Hg. Hg(II) chloride and nitrate solutions were equilibrated in parallel batches with varying amounts of thiol resin resulting in different fractions of thiol-bound and free Hg. Mercury isotope ratios in both fractions were analyzed by multiple collector inductively coupled plasma mass spectrometry (MC-ICPMS). Theoretical equilibrium Hg isotope effects by mass-dependent fractionation (MDF) and nuclear volume fractionation (NVF) were calculated for 14 relevant Hg(II) species. The experimental data revealed that thiol-bound Hg was enriched in light Hg isotopes by 0.53 per thousand and 0.62 per thousand (delta(202)Hg) relative to HgCl(2) and Hg(OH)(2), respectively. The computational results were in excellent agreement with the experimental data indicating that a combination of MDF and NVF was responsible for the observed Hg isotope fractionation. Small mass-independent fractionation (MIF) effects (<0.1 per thousand) were observed representing one of the first experimental evidences for MIF of Hg isotopes by NVF. Our results indicate that significant equilibrium Hg isotope fractionation can occur without redox transition, and that NVF must be considered in addition to MDF to explain Hg isotope variations.

  15. Numerical Analysis of Threshold between Laser-Supported Detonation and Combustion Wave Using Thermal Non-Equilibrium and Multi-Charged Ionization Model

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki; Kumagai, Yuya

    Laser-supported Detonation (LSD), which is one type of Laser-supported Plasma (LSP), is an important phenomenon because it can generate high pressures and temperatures for laser absorption. In this study, using thermal-non-equilibrium model, we numerically simulate LSPs, which are categorized as either LSDs or laser-supported combustion-waves (LSCs). For the analysis model, a two-temperature (heavy particle and electron-temperature) model has been used because the electronic mode excites first in laser absorption and a thermal non-equilibrium state easily arises. In the numerical analysis of the LSDs, laser absorption models are particularly important. Therefore, a multi-charged ionization model is considered to evaluate precisely the propagation and the structure transition of the LSD waves in the proximity of the LSC-LSD threshold. In the new model, the transition of the LSD construction near the threshold, which is indicated by the ionization delay length, becomes more practical.

  16. Kinetic theory of transport processes in partially ionized reactive plasma, II: Electron transport properties

    NASA Astrophysics Data System (ADS)

    Zhdanov, V. M.; Stepanenko, A. A.

    2016-11-01

    The previously obtained in (Zhdanov and Stepanenko, 2016) general transport equations for partially ionized reactive plasma are employed for analysis of electron transport properties in molecular and atomic plasmas. We account for both elastic and inelastic interaction channels of electrons with atoms and molecules of plasma and also the processes of electron impact ionization of neutral particles and three-body ion-electron recombination. The system of scalar transport equations for electrons is discussed and the expressions for non-equilibrium corrections to electron ionization and recombination rates and the diagonal part of the electron pressure tensor are derived. Special attention is paid to analysis of electron energy relaxation during collisions with plasma particles having internal degrees of freedom and the expression for the electron coefficient of inelastic energy losses is deduced. We also derive the expressions for electron vector and tensorial transport fluxes and the corresponding transport coefficients for partially ionized reactive plasma, which represent a generalization of the well-known results obtained by Devoto (1967). The results of numerical evaluation of contribution from electron inelastic collisions with neutral particles to electron transport properties are presented for a series of molecular and atomic gases.

  17. EXTENDED ANALYSIS OF THE SPECTRUM OF SINGLY IONIZED CHROMIUM (Cr II)

    SciTech Connect

    Sansonetti, Craig J.; Nave, Gillian

    2014-08-01

    We have made new observations of the spectrum of singly ionized chromium (Cr II) in the region 2850-37900 Å with the National Institute of Standards and Technology 2 m Fourier transform spectrometer. These data extend our previously reported observations in the near-ultra-violet region. We present a comprehensive list of more than 5300 Cr II lines classified as transitions among 456 even and 457 odd levels, 179 of which are newly located in this work. Using highly excited levels of the 3d {sup 4}({sup 5} D)5g, 3d {sup 4}({sup 5} D)6g, and 3d {sup 4}({sup 5}D)6h configurations, we derive an improved ionization energy of 132971.02 ± 0.12 cm{sup –1} (16.486305 ± 0.000015 eV)

  18. Extended Analysis of the Spectrum of Singly Ionized Chromium (Cr II)

    NASA Astrophysics Data System (ADS)

    Sansonetti, Craig J.; Nave, Gillian

    2014-08-01

    We have made new observations of the spectrum of singly ionized chromium (Cr II) in the region 2850-37900 Å with the National Institute of Standards and Technology 2 m Fourier transform spectrometer. These data extend our previously reported observations in the near-ultra-violet region. We present a comprehensive list of more than 5300 Cr II lines classified as transitions among 456 even and 457 odd levels, 179 of which are newly located in this work. Using highly excited levels of the 3d 4(5 D)5g, 3d 4(5 D)6g, and 3d 4(5D)6h configurations, we derive an improved ionization energy of 132971.02 ± 0.12 cm-1 (16.486305 ± 0.000015 eV).

  19. Numerical Analysis on Non-Equilibrium Mechanism of Laser-Supported Detonation Wave Using Multiply-Charged Ionization

    SciTech Connect

    Shiraishi, Hiroyuki

    2006-05-02

    Laser-Supported Detonation (LSD), one type of Laser-Supported Plasma (LSP), is considered as the most important phenomena because it can generate high pressure and high temperature for laser absorption. In this study, I have numerically simulated the 1-D LSD waves propagating through a helium gas, in which Multiply-charged ionization model is considered for describing an accurate ionization process.

  20. Numerical Analysis on Non-Equilibrium Mechanism of Laser-Supported Detonation Wave Using Multiply-Charged Ionization

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki

    2006-05-01

    Laser-Supported Detonation (LSD), one type of Laser-Supported Plasma (LSP), is considered as the most important phenomena because it can generate high pressure and high temperature for laser absorption. In this study, I have numerically simulated the 1-D LSD waves propagating through a helium gas, in which Multiply-charged ionization model is considered for describing an accurate ionization process.

  1. Lithium abundances of halo dwarfs based on excitation temperatures. II. Non-local thermodynamic equilibrium

    NASA Astrophysics Data System (ADS)

    Hosford, A.; García Pérez, A. E.; Collet, R.; Ryan, S. G.; Norris, J. E.; Olive, K. A.

    2010-02-01

    .72 dex inferred from WMAP + BBN. We discuss the effects of collisions on trends of7Li abundances with [Fe/H] and Teff, as well as the NLTE effects on the determination of log g through ionization equilibrium, which imply a collisional scaling factor SH > 1 for collisions between Fe and H atoms.

  2. The N (II) 205 micron line in M82: The warm ionized medium

    NASA Technical Reports Server (NTRS)

    Petuchowski, S. J.; Bennett, C. L.; Haas, Michael R.; Erickson, Edwin F.; Lord, Steven D.; Rubin, Robert H.; Colgan, Sean W. J.; Hollenbach, D. J.

    1994-01-01

    Detection of the 205 micrometer fine structure line of N II in the nearby starburst galaxy M82 is reported. The intensity wihin a 54 sec Full width at Half Maximum (FWHM) beam is (7.1 +/- 1.2) x 10(exp -19) W cm(exp -2). The ratio of the intensity of the recently detected 122 micrometer line to that of the 2.5 micrometer lines is = (4.2) (sup =1.6) (sub -1.2), significantly larger than the corresponding Galactic value of 1.6 +/- 0.3, reflecting higher electron densities within the central 850 pc of M82 in comparison to the Cosmic Background Explorer (COBE) Galactic average. The 2.5 micrometer line profile is consistent with other far-infrared fine-structure line profiles observed in M82. The observations are interpreted in the context of a two-component model of the ionized medium in M82. We find that a component of density as low as approximately 50 cm(exp -3) can comprise up to 70% of the total mass of warm ionized gas within the beam. The balance of the ionized mass is comprised of a component of density approximately greater than 100 cm(exp -3). A model is explored in which the dneser ionized medium constitute the boundaries of neutral surfaces which border the expanding hot plasma from the nuclear region.

  3. Energy levels of neutral and singly ionized berkelium, /sup 249/Bk I and II

    SciTech Connect

    Worden, E.F.; Conway, J.G.; Blaise, J.

    1987-09-01

    Energy-level analyses of the observed emission spectrum of berkelium have yielded 179 odd and 186 even levels of neutral berkelium Bk I, and 42 odd and 117 even levels of singly ionized berkelium Bk II. The levels are tabulated with the J value, the g value, the configuration and hyperfine constants A and B, and the width given for many of the levels. The ground states of Bk I and Bk II are (Rn)5f/sup 9/7s/sup 2/ /sup 6/H/sup 0//sub 15/2/ and (Rn)5f/sup 9/7s /sup 7/H/sup 0//sub 8/, respectively. A table lists the lowest level of each identified electronic configuration of Bk I and Bk II.

  4. Charge exchange contamination of CRIT-II barium CIV experiment. [critical ionization velocity in ionosphere

    NASA Technical Reports Server (NTRS)

    Swenson, G. R.; Mende, S. B.; Meyerott, R. E.; Rairden, R. L.

    1991-01-01

    Experiments have been recently performed which attempted to confirm critical ionization velocity (CIV) ionization by deploying chemicals at high velocity in the ionosphere. Specifically, the CRIT-II rocket performed a barium release in the ionosphere, where observations of Ba(+) resonant emissions following the release are believed to have resulted from the CIV process. Calculations are presented which suggest a significant fraction (if not all) of the Ba(+) observed likely resulted from charge exchange with the thermosphere ions and not through CIV processes. The results presented here are pertinent to other CIV experiments performed in the ionosphere. It is recommended that laboratory measurements should be made of the charge exchange cross section between O(+) and Ba as well as other metal vapors used in CIV experiments.

  5. Biosorption of Cu(II) by immobilized microalgae using silica: kinetic, equilibrium, and thermodynamic study.

    PubMed

    Lee, Hongkyun; Shim, Eunjung; Yun, Hyun-Shik; Park, Young-Tae; Kim, Dohyeong; Ji, Min-Kyu; Kim, Chi-Kyung; Shin, Won-Sik; Choi, Jaeyoung

    2016-01-01

    Immobilized microalgae using silica (IMS) from Micractinium reisseri KGE33 was synthesized through a sol-gel reaction. Green algal waste biomass, the residue of M. reisseri KGE33 after oil extraction, was used as the biomaterial. The adsorption of Cu(II) on IMS was tested in batch experiments with varying algal doses, pH, contact times, initial Cu(II) concentrations, and temperatures. Three types of IMSs (IMS 14, 70, and 100) were synthesized according to different algal doses. The removal efficiency of Cu(II) in the aqueous phase was in the following order: IMS 14 (77.0%) < IMS 70 (83.3%) < IMS 100 (87.1%) at pH 5. The point of zero charge (PZC) value of IMS100 was 4.5, and the optimum pH for Cu(II) adsorption was 5. Equilibrium data were described using a Langmuir isotherm model. The Langmuir model maximum Cu(II) adsorption capacity (q m) increased with the algal dose in the following order: IMS 100 (1.710 mg g(-1)) > IMS 70 (1.548 mg g(-1)) > IMS 14 (1.282 mg g(-1)). The pseudo-second-order equation fitted the kinetics data well, and the value of the second-order rate constant increased with increasing algal dose. Gibbs free energies (ΔG°) were negative within the temperature range studied, which indicates that the adsorption process was spontaneous. The negative value of enthalpy (ΔH°) again indicates the exothermic nature of the adsorption process. In addition, SEM-energy-dispersive X-ray spectroscopy (EDS), Fourier transform infrared (FT-IR), and X-ray photoelectron spectroscopy (XPS) analyses of the IMS surface reveal that the algal biomass on IMS is the main site for Cu(II) binding. This study shows that immobilized microalgae using silica, a synthesized biosorbent, can be used as a cost-effective sorbent for Cu(II) removal from the aqueous phase.

  6. Octahedral-tetrahedral equilibrium and solvent exchange of cobalt(II) ions in primary alkylamines.

    PubMed

    Aizawa, Sen-ichi; Funahashi, Shigenobu

    2002-08-26

    The enthalpy differences (Delta H degrees ) of the equilibrium between the octahedral and tetrahedral solvated cobalt(II) complexes were obtained in some primary alkylamines such as propylamine (pa, 36.1 +/- 2.3 kJ mol(-1)), n-hexylamine (ha, 34.9 +/- 1.0 kJ mol(-1)), 2-methoxyethylamine (meea, 44.8 +/- 3.1 kJ mol(-1)), and benzylamine (ba, 50.1 +/- 3.6 kJ mol(-1)) by the spectrophotometric method. The differences in the energy levels between the two geometries of the cobalt(II) complexes in the spherically symmetric field (Delta E(spher)) were estimated from the values of Delta H degrees by offsetting the ligand field stabilization energies. It was indicated that the value of Delta E(spher) is the decisive factor in determining the value of Delta H degrees and is largely dependent on the electronic repulsion between the d-electrons and the donor atoms and the interelectronic repulsion in the d orbitals. The comparison between activation enthalpies (Delta H(++)) for the solvent exchange reactions of octahedral cobalt(II) ions in pa and meea revealed that the unexpectedly large rate constant and small Delta H(++) in pa are attributed to the strong electronic repulsion in the ground state and removal of the electronic repulsion in the dissociative transition state, which can give the small Delta E(spher) between the ground and transition states. Differences in the solvent exchange rates and the DeltaH(++) values of the octahedral metal(II) ions in some other solvents are discussed in connection with the electronic repulsive factors.

  7. Prediction of equilibrium parameters of adsorption of lead (II) ions onto diatomite

    NASA Astrophysics Data System (ADS)

    Salman, Taylan; Ardalı, Yüksel; Gamze Turan, N.

    2013-04-01

    Heavy metals from industrial wastewaters are one of the most important environmental issues to be solved today. Due to their toxicity and nonbiodegradable nature, heavy metals cause environmental and public health problems. Various techniques have been developed to remove heavy metals from aqueous solutions. These include chemical precipitation, reverse osmosis, ion Exchange and adsorption. Among them, adsorption is considered to be a particularly competitive and effective process for the removal of heavy metals from aqueous solutions. There is growing interest in using low cost, commercially available materials for the adsorption of heavy metals. Diatomite is a siliceous sedimentary rock having an amorphous form of silica (SiO2. nH2O) containing a small amount of microcrystalline material. It has unique combination of physical and chemical properties such as high porosity, high permeability, small particle size, large surface area, and low thermal conductivity. In addition, it is available in Turkey and in various locations around the world. Therefore, diatomite has been successfully used as adsorbent for the removal of heavy metals. The aim of the study is to investigate the adsorption properties of diatomite. The equilibrium adsorption data were applied to the Langmuir, Freundlich and Dubinin-Radushkevic (D-R) isotherm models. Adsorption experiments were performed under batch process, using Pb (II) initial concentration, pH of solution and contact time as variables. The results demonstrated that the adsorption of Pb (II) was strongly dependent on pH of solution. The effect of pH on adsorption of Pb(II) on diatomite was conducted by varying pH from 2 to 12 at 20 oC. In the pH range of 2.0-4.0, the adsorption percentage increases slightly as the pH increasing. At pH>4, the adsorption percentage decreases with increasing pH because hydrolysis product and the precipitation begin to play an important role in the sorption of Pb (II). At pH4, the maximum adsorption

  8. Kinetics and equilibrium adsorption study of lead(II) onto activated carbon prepared from coconut shell.

    PubMed

    Sekar, M; Sakthi, V; Rengaraj, S

    2004-11-15

    Removal of lead from aqueous solutions by adsorption onto coconut-shell carbon was investigated. Batch adsorption experiments were performed to find out the effective lead removal at different metal ion concentrations. Adsorption of Pb2+ ion was strongly affected by pH. The coconut-shell carbon (CSC) exhibited the highest lead adsorption capacity at pH 4.5. Isotherms for the adsorption of lead on CSC were developed and the equilibrium data fitted well to the Langmuir, Freundlich, and Tempkin isotherm models. At pH 4.5, the maximum lead adsorption capacity of CSC estimated with the Langmuir model was 26.50 mg g(-1) adsorbent. Energy of activation (Ea) and thermodynamic parameters such as DeltaG, DeltaH, and DeltaS were evaluated by applying the Arrhenius and van't Hoff equations. The thermodynamics of Pb(II) on CSC indicates the spontaneous and endothermic nature of adsorption. Quantitative desorption of Pb(II) from CSC was found to be 75% which facilitates the sorption of metal by ion exchange.

  9. Anomalously slow cyanide binding to Glycera dibranchiata monomer methemoglobin component II: Implication for the equilibrium constant

    SciTech Connect

    Mintorovitch, J.; Satterlee, J.D. )

    1988-10-18

    In comparison to sperm whale metmyoglobin, metleghemoglobin {alpha}, methemoglobins, and heme peroxidases, the purified Glycera dibranchiata monomer methemoglobin component II exhibits anomalously slow cyanide ligation kinetics. For the component II monomer methemoglobin this reaction has been studied under pseudo-first-order conditions at pH 6.0, 7.0, 8.0, and 9.0, employing 100-250-fold mole excesses of potassium cyanide at each pH. The analysis shows that the concentration-independent bimolecular rate constant is small in comparison to those of the other heme proteins. Furthermore, the results show that the dissociation rate is extremely slow. Separation of the bimolecular rate constant into contributions from k{sub CN{sup {minus}}} (the rate constant for CN{sup {minus}} binding) and from k{sub HCN} (the rate constant for HCN binding) shows that the former is approximately 90 times greater. These results indicate that cyanide ligation reactions are not instantaneous for this protein, which is important for those attempting to study the ligand-binding equilibria. From the results presented here the authors estimate that the actual equilibrium dissociation constant (K{sub D}) for cyanide binding to this G. dibranchiata monomer methemoglobin has a numerical upper limit that is at least 2 orders of magnitude smaller than the value reported before the kinetic results were known.

  10. COMPREHENSIVE OBSERVATIONS OF THE ULTRAVIOLET SPECTRUM AND IMPROVED ENERGY LEVELS FOR SINGLY IONIZED CHROMIUM (Cr II)

    SciTech Connect

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-15

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 A. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  11. Comprehensive Observations of the Ultraviolet Spectrum and Improved Energy Levels for Singly Ionized Chromium (Cr II)

    NASA Astrophysics Data System (ADS)

    Sansonetti, Craig J.; Nave, Gillian; Reader, Joseph; Kerber, Florian

    2012-10-01

    We report new observations of the spectrum of singly ionized chromium (Cr II) in the region 1142-3954 Å. The spectra were recorded with the National Institute of Standards and Technology 10.7 m normal-incidence vacuum spectrograph and FT700 vacuum ultraviolet Fourier transform spectrometer. More than 3600 lines are classified as transitions among 283 even and 368 odd levels. The new spectral data are used to re-optimize the energy levels, reducing their uncertainties by a typical factor of 20.

  12. Observations of M33 H II Regions: the Ne/S ratio, metallicity, and ionization variations

    NASA Astrophysics Data System (ADS)

    Rubin, R. H.; Simpson, J. P.; McNabb, I. A.; Brunner, G.; Colgan, S. W. J.; Dufour, R. J.; Pauldrach, A. W. A.; Browne, A. D.; Zhang, R.; Csongradi, E. J.

    2009-01-01

    We have observed emission lines of [S IV] 10.51, H(7--6) 12.37, [Ne II] 12.81, [Ne III] 15.56, and [S III] 18.71 μm in a number of extragalactic H II regions with the Spitzer Space Telescope. A previous paper presented our data and analysis for the substantially face-on spiral galaxy M83. Here we report our results for the local group spiral galaxy M33. The nebulae selected cover a wide range of galactocentric radii (R_G). The observations were made with the Infrared Spectrograph with the short wavelength, high resolution module. The above set of five lines is observed cospatially, thus permitting a reliable comparison of the fluxes. From the measured fluxes, we determine the ionic abundance ratios including Ne++/Ne^+, S3+/S++, and S++/Ne^+ and find that there is a correlation of increasingly higher ionization with larger R_G. By sampling the dominant ionization states of Ne (Ne^+, Ne++) and S (S++, S3+) for H II regions, we can estimate the Ne/H, S/H, and Ne/S ratios. We find that there is a decrease in metallicity with increasing R_G. There is no apparent variation in the Ne/S ratio with R_G. Unlike our previous similar study of M83, where we conjectured that this ratio was an upper limit, for M33 the derived ratios are likely a robust indication of Ne/S. This occurs because the H II regions have lower metallicity and higher ionization than those in M83. Both Ne and S are primary elements produced in α-chain reactions, following C and O burning in stars, making their yields depend very little on the stellar metallicity. Thus, it is expected that Ne/S remains relatively constant throughout a galaxy. The median (average) Ne/S ratio derived for H II regions in M33 is 16.3 (16.9), just slightly higher than the Orion Nebula value of 14.3. These values are in sharp contrast with the much lower ``canonical", but controversial, solar value of ˜5. A recent nucleosynthesis, galactic chemical evolution model predicts a Ne/S abundance of ˜9. Our observations may also be

  13. Ionizing feedback from massive stars in massive clusters - II. Disruption of bound clusters by photoionization

    NASA Astrophysics Data System (ADS)

    Dale, J. E.; Ercolano, B.; Bonnell, I. A.

    2012-07-01

    We present a smoothed particle hydrodynamics parameter study of the dynamical effect of photoionization from O-type stars on star-forming clouds of a range of masses and sizes during the time window before supernovae explode. Our model clouds all have the same degree of turbulent support initially, the ratio of turbulent kinetic energy to gravitational potential energy being set to Ekin/|Epot|= 0.7. We allow the clouds to form stars and study the dynamical effects of the ionizing radiation from the massive stars or clusters born within them. We find that dense filamentary structures and accretion flows limit the quantities of gas that can be ionized, particularly in the higher density clusters. More importantly, the higher escape velocities in our more massive (106 M⊙) clouds prevent the H II regions from sweeping up and expelling significant quantities of gas, so that the most massive clouds are largely dynamically unaffected by ionizing feedback. However, feedback has a profound effect on the lower density 104 and 105 M⊙ clouds in our study, creating vast evacuated bubbles and expelling tens of per cent of the neutral gas in the 3-Myr time-scale before the first supernovae are expected to detonate, resulting in clouds highly porous to both photons and supernova ejecta.

  14. The Ionization Equilibrium of Optically Thick Argon Z-Pinch Plasmas for Electron Temperatures between 25 and 65 eV.

    DTIC Science & Technology

    2014-09-26

    reverse if necessary and identify by block number) FIELD GROUP SUB-GROUP " Ioni;ation equilibrium Argon plasma Gamble -Il generator Collisional pumping...highly attractive due to the large gain lengths (up to 4 cm) and immense energies (-1 MJ) available to couple to the plasma. The Gamble -II device at...previously observed1 5. These results suggest that Gamble -II would be an excellent device to test lasing concepts on a Z-pinch. Argon, stripped to the neon

  15. Scaling of the equilibrium magnetization in the mixed state of type-II superconductors

    NASA Astrophysics Data System (ADS)

    Landau, I. L.; Ott, H. R.

    2005-04-01

    We discuss the analysis of mixed-state magnetization data of type-II superconductors using a recently developed scaling procedure. It is based on the fact that, if the Ginzburg-Landau parameter κ does not depend on temperature, the magnetic susceptibility χ(H,T) is a universal function of H/Hc2(T), leading to a simple relation between magnetizations at different temperatures. Although this scaling procedure does not provide absolute values of the upper critical field Hc2(T), its temperature variation can be established rather accurately. This provides an opportunity to validate theoretical models that are usually employed for the evaluation of Hc2(T) from equilibrium magnetization data. In the second part of the paper we apply this scaling procedure for a discussion of the notorious first order phase transition in the mixed state of high-Tc superconductors. Our analysis, based on experimental magnetization data available in the literature, shows that the shift of the magnetization accross the transition may adopt either sign, depending on the particular chosen sample. We argue that this observation is inconsistent with the interpretation that this transition always represents the melting transition of the vortex lattice.

  16. A non-local thermodynamical equilibrium line formation for neutral and singly ionized titanium in model atmospheres of reference A-K stars

    NASA Astrophysics Data System (ADS)

    Sitnova, T. M.; Mashonkina, L. I.; Ryabchikova, T. A.

    2016-09-01

    We construct a model atom for Ti I-II using more than 3600 measured and predicted energy levels of Ti I and 1800 energy levels of Ti II, and quantum mechanical photoionization cross-sections. Non-local thermodynamical equilibrium (NLTE) line formation for Ti I and Ti II is treated through a wide range of spectral types from A to K, including metal-poor stars with [Fe/H] down to -2.6 dex. NLTE leads to weakened Ti I lines and positive abundance corrections. The magnitude of NLTE corrections is smaller compared to the literature data for FGK atmospheres. NLTE leads to strengthened Ti II lines and negative NLTE abundance corrections. For the first time, we have performed NLTE calculations for Ti I-II in the 6500 ≤ Teff ≤ 13 000 K range. For four A-type stars, we derived in LTE an abundance discrepancy of up to 0.22 dex between Ti I and Ti II, which vanishes in NLTE. For four other A-B stars, with only Ti II lines observed, NLTE leads to a decrease of line-to-line scatter. An efficiency of inelastic Ti I + H I collisions was estimated from an analysis of Ti I and Ti II lines in 17 cool stars with -2.6 ≤ [Fe/H] ≤ 0.0. Consistent NLTE abundances from Ti I and Ti II were obtained by applying classical Drawinian rates for the stars with log g ≥ 4.1, and neglecting inelastic collisions with H I for the very metal-poor (VMP) giant HD 122563. For the VMP turn-off stars ([Fe/H] ≤ -2 and log g ≤ 4.1), we obtained the positive abundance difference Ti I-II already in LTE, which increases in NLTE. Accurate collisional data for Ti I and Ti II are necessary to help solve this problem.

  17. Complexation of malic acid with cadmium(II) probed by electrospray ionization mass spectrometry.

    PubMed

    Jaklová Dytrtová, Jana; Jakl, Michal; Schröder, Detlef

    2012-02-15

    Electrospray ionization was used as a technique for the characterization of the interactions between cadmium(II) ions and malic acid (1) in aqueous solution. Particular attention was paid to the nature of the species formed, which generally correspond to complexes of CdX(+) cations with neutral malic acid, where X either is the counterion of the metal salt used as a precursor (i.e. X=Cl, I) or corresponds to singly deprotonated malic acid. In pure water solutions, also highly coordinated complexes [Cd(1-H)(1)(2)](+) and [CdCl(1)(2)](+) were detected, whereas the most abundant complexes detected in a sample of soil solution were: [Cd(1-H)(1)](+) and [CdCl(1)](+). With respect to possible application in environmental analysis, the effects of (i) metal salts present in solution, (ii) modest mineralization, and (iii) the matrices of real soil solutions were probed. While the presence of other metals leads to additional complexes, the characteristic species containing both cadmium(II) and malic acid can still be detected with good sensitivity.

  18. Validity of Saha's equation of thermal ionization for negatively charged spherical particles in complex plasmas in thermal equilibrium

    SciTech Connect

    Sodha, M. S.; Mishra, S. K.

    2011-04-15

    The authors have discussed the validity of Saha's equation for the charging of negatively charged spherical particles in a complex plasma in thermal equilibrium, even when the tunneling of the electrons, through the potential energy barrier surrounding the particle is considered. It is seen that the validity requires the probability of tunneling of an electron through the potential energy barrier surrounding the particle to be independent of the direction (inside to outside and vice versa) or in other words the Born's approximation should be valid.

  19. Equilibrium II: Acids and Bases. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P3.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on equilibrium is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, focuses on the application of equilibrium principles to equilibria involving weak acids and bases, including buffer solutions and indicators. Level one uses Le Chatelier's…

  20. Temperature lapse rates at restricted thermodynamic equilibrium. Part II: Saturated air and further discussions

    NASA Astrophysics Data System (ADS)

    Björnbom, Pehr

    2016-03-01

    In the first part of this work equilibrium temperature profiles in fluid columns with ideal gas or ideal liquid were obtained by numerically minimizing the column energy at constant entropy, equivalent to maximizing column entropy at constant energy. A minimum in internal plus potential energy for an isothermal temperature profile was obtained in line with Gibbs' classical equilibrium criterion. However, a minimum in internal energy alone for adiabatic temperature profiles was also obtained. This led to a hypothesis that the adiabatic lapse rate corresponds to a restricted equilibrium state, a type of state in fact discussed already by Gibbs. In this paper similar numerical results for a fluid column with saturated air suggest that also the saturated adiabatic lapse rate corresponds to a restricted equilibrium state. The proposed hypothesis is further discussed and amended based on the previous and the present numerical results and a theoretical analysis based on Gibbs' equilibrium theory.

  1. [C II] 158 μm and [N II] 205 μm emission from IC 342. Disentangling the emission from ionized and photo-dissociated regions

    NASA Astrophysics Data System (ADS)

    Röllig, M.; Simon, R.; Güsten, R.; Stutzki, J.; Israel, F. P.; Jacobs, K.

    2016-06-01

    Context. Atomic fine-structure line emission is a major cooling process in the interstellar medium (ISM). In particular the [C II] 158 μm line is one of the dominant cooling lines in photon-dominated regions (PDRs). However, it is not confined to PDRs but can also originate from the ionized gas closely surrounding young massive stars. The proportion of the [C II] emission from H II regions relative to that from PDRs can vary significantly. Aims: We investigate the question of how much of the [C II] emission in the nucleus of the nearby spiral galaxy IC 342 is contributed by PDRs and by the ionized gas. We examine the spatial variations of starburst/PDR activity and study the correlation of the [C II] line with the [N II] 205 μm emission line coming exclusively from the H II regions. Methods: We present small maps of [C II] 158 μm and [N II] 205 μm lines recently observed with the GREAT receiver on board SOFIA. We present different methods to utilize the superior spatial and spectral resolution of our new data to infer information on how the gas kinematics in the nuclear region influence the observed line profiles. In particular we present a super-resolution method to derive how unresolved, kinematically correlated structures in the beam contribute to the observed line shapes. Results: We find that the emission coming from the ionized gas shows a kinematic component in addition to the general Doppler signature of the molecular gas. We interpret this as the signature of two bi-polar lobes of ionized gas expanding out of the galactic plane. We then show how this requires an adaptation of our understanding of the geometrical structure of the nucleus of IC 342. Examining the starburst activity we find ratios I( [C II] ) /I(12CO(1-0)) between 400 and 1800 in energy units. Applying predictions from numerical models of H II and PDR regions to derive the contribution from the ionized phase to the total [C II] emission we find that 35-90% of the observed [C II] intensity

  2. A Study of the Complexation of Mercury(II) with Dicysteinyl Tetrapeptides by Electrospray Ionization Mass Spectrometry.

    PubMed

    Mazlo, Johanna; Ngu-Schwemlein, Maria

    2016-01-08

    In this study we evaluated a method for the characterization of complexes, formed in different relative ratios of mercury(II) to dicysteinyl tetrapeptide, by electrospray ionization orbitrap mass spectrometry. This strategy is based on previous successful characterization of mercury-dicysteinyl complexes involving tripeptides by utilizing mass spectrometry among other techniques. Mercury(II) chloride and a dicysteinyl tetrapeptide were incubated in a degassed buffered medium at varying stoichiometric ratios. The complexes formed were subsequently analyzed on an electrospray mass spectrometer consisting of a hybrid linear ion- and orbi- trap mass analyzer. The electrospray ionization mass spectrometry (ESI-MS) spectra were acquired in the positive mode and the observed peaks were then analyzed for distinct mercury isotopic distribution patterns and associated monoisotopic peak. This work demonstrates that an accurate stoichiometry of mercury and peptide in the complexes formed under specified electrospray ionization conditions can be determined by using high resolution ESI MS based on distinct mercury isotopic distribution patterns.

  3. Adsorption/desorption of Cd(II), Cu(II) and Pb(II) using chemically modified orange peel: Equilibrium and kinetic studies

    NASA Astrophysics Data System (ADS)

    Lasheen, Mohamed R.; Ammar, Nabila S.; Ibrahim, Hanan S.

    2012-02-01

    Waste materials from industries such as food processing may act as cost effective and efficient biosorbents to remove toxic contaminants from wastewater. This study aimed to establish an optimized condition and closed loop application of processed orange peel for metals removal. A comparative study of the adsorption capacity of the chemically modified orange peel was performed against environmentally problematic metal ions, namely, Cd 2+, Cu 2+ and Pb 2+, from aqueous solutions. Chemically modified orange peel (MOP) showed a significantly higher metal uptake capacity compared to original orange peel (OP). Fourier Transform Infrared (FTIR) Spectra of peel showed that the carboxylic group peak shifted from 1637 to 1644 cm -1 after Pb (II) ions binding, indicated the involvement of carboxyl groups in Pb(II) ions binding. The metals uptake by MOP was rapid and the equilibrium time was 30 min at constant temperature and pH. Sorption kinetics followed a second-order model. The mechanism of metal sorption by MOP gave good fits for Freundlich and Langmuir models. Desorption of metals and regeneration of the biosorbent was attained simultaneously by acid elution. Even after four cycles of adsorption-elution, the adsorption capacity was regained completely and adsorption efficiency of metal was maintained at around 90%.

  4. Experimental determination of equilibrium constant for the complexing reaction of nitric oxide with hexamminecobalt(II) in aqueous solution.

    PubMed

    Mao, Yan-Peng; Chen, Hua; Long, Xiang-Li; Xiao, Wen-de; Li, Wei; Yuan, Wei-Kang

    2009-02-15

    Ammonia solution can be used to scrub NO from the flue gases by adding soluble cobalt(II) salts into the aqueous ammonia solutions. The hexamminecobalt(II), Co(NH3)6(2+), formed by ammonia binding with Co2+ is the active constituent of eliminating NO from the flue gas streams. The hexamminecobalt(II) can combine with NO to form a complex. For the development of this process, the data of the equilibrium constants for the coordination between NO and Co(NH3)6(2+)over a range of temperature is very important. Therefore, a series of experiments were performed in a bubble column to investigate the chemical equilibrium. The equilibrium constant was determined in the temperature range of 30.0-80.0 degrees C under atmospheric pressure at pH 9.14. All experimental data fit the following equation well: [see text] where the enthalpy and entropy are DeltaH degrees = - (44.559 +/- 2.329)kJ mol(-1) and DeltaS degrees = - (109.50 +/- 7.126) J K(-1)mol(-1), respectively.

  5. Statistical equilibrium in cometary C2. II - Swan/Phillips band ratios

    NASA Technical Reports Server (NTRS)

    Swamy, K. S. K.; Odell, C. R.

    1979-01-01

    Statistical equilibrium calculations have been made for both the triplet and ground state singlets for C2 in comets, using the exchange rate as a free parameter. The predictions of the results are consistent with optical observations and may be tested definitively by accurate observations of the Phillips and Swan band ratios. Comparison with the one reported observation indicates compatibility with a low exchange rate and resonance fluorescence statistical equilibrium.

  6. Improved accuracy of low affinity protein-ligand equilibrium dissociation constants directly determined by electrospray ionization mass spectrometry.

    PubMed

    Jaquillard, Lucie; Saab, Fabienne; Schoentgen, Françoise; Cadene, Martine

    2012-05-01

    There is continued interest in the determination by ESI-MS of equilibrium dissociation constants (K(D)) that accurately reflect the affinity of a protein-ligand complex in solution. Issues in the measurement of K(D) are compounded in the case of low affinity complexes. Here we present a K(D) measurement method and corresponding mathematical model dealing with both gas-phase dissociation (GPD) and aggregation. To this end, a rational mathematical correction of GPD (f(sat)) is combined with the development of an experimental protocol to deal with gas-phase aggregation. A guide to apply the method to noncovalent protein-ligand systems according to their kinetic behavior is provided. The approach is validated by comparing the K(D) values determined by this method with in-solution K(D) literature values. The influence of the type of molecular interactions and instrumental setup on f(sat) is examined as a first step towards a fine dissection of factors affecting GPD. The method can be reliably applied to a wide array of low affinity systems without the need for a reference ligand or protein.

  7. Rapid adsorption of copper(II) and lead(II) by rice straw/Fe₃O₄ nanocomposite: optimization, equilibrium isotherms, and adsorption kinetics study.

    PubMed

    Khandanlou, Roshanak; Ahmad, Mansor B; Fard Masoumi, Hamid Reza; Shameli, Kamyar; Basri, Mahiran; Kalantari, Katayoon

    2015-01-01

    Rice straw/magnetic nanocomposites (RS/Fe3O4-NCs) were prepared via co-precipitation method for removal of Pb(II) and Cu(II) from aqueous solutions. Response surface methodology (RSM) was utilized to find the optimum conditions for removal of ions. The effects of three independent variables including initial ion concentration, removal time, and adsorbent dosage were investigated on the maximum adsorption of Pb (II) and Cu (II). The optimum conditions for the adsorption of Pb(II) and Cu(II) were obtained (100 and 60 mg/L) of initial ion concentration, (41.96 and 59.35 s) of removal time and 0.13 g of adsorbent for both ions, respectively. The maximum removal efficiencies of Pb(II) and Cu(II) were obtained 96.25% and 75.54%, respectively. In the equilibrium isotherm study, the adsorption data fitted well with the Langmuir isotherm model. The adsorption kinetics was best depicted by the pseudo-second order model. Desorption experiments showed adsorbent can be reused successfully for three adsorption-desorption cycles.

  8. Rapid Adsorption of Copper(II) and Lead(II) by Rice Straw/Fe3O4 Nanocomposite: Optimization, Equilibrium Isotherms, and Adsorption Kinetics Study

    PubMed Central

    Khandanlou, Roshanak; Ahmad, Mansor B.; Fard Masoumi, Hamid Reza; Shameli, Kamyar; Basri, Mahiran; Kalantari, Katayoon

    2015-01-01

    Rice straw/magnetic nanocomposites (RS/Fe3O4-NCs) were prepared via co-precipitation method for removal of Pb(II) and Cu(II) from aqueous solutions. Response surface methodology (RSM) was utilized to find the optimum conditions for removal of ions. The effects of three independent variables including initial ion concentration, removal time, and adsorbent dosage were investigated on the maximum adsorption of Pb (II) and Cu (II). The optimum conditions for the adsorption of Pb(II) and Cu(II) were obtained (100 and 60 mg/L) of initial ion concentration, (41.96 and 59.35 s) of removal time and 0.13 g of adsorbent for both ions, respectively. The maximum removal efficiencies of Pb(II) and Cu(II) were obtained 96.25% and 75.54%, respectively. In the equilibrium isotherm study, the adsorption data fitted well with the Langmuir isotherm model. The adsorption kinetics was best depicted by the pseudo-second order model. Desorption experiments showed adsorbent can be reused successfully for three adsorption-desorption cycles. PMID:25815470

  9. The Ionization Structure of Sharpless 2-264: Multiwavelength Observations of the λ Ori H II Region

    NASA Astrophysics Data System (ADS)

    Sahan, M.; Haffner, L. M.

    2016-06-01

    We present velocity-resolved maps taken with the Wisconsin H-Alpha Mapper (WHAM) in Hα, [S ii] λ 6716, and [N ii] λ 6583 around the well-known O8 III star λ Ori A (HD 36861) ({\\ell }=185^\\circ to 205^\\circ ,b=-24^\\circ to -1^\\circ ). The integrated intensity ({v}{{LSR}}=-80 to +80 km s-1), {I}{{H}α }, within WHAM’s one-degree beams varies from ˜190 R near the center to ˜10 R on the periphery of the nebula where it becomes comparable to foreground and/or background emission in this complex region. Intensity ratios for [N ii]/Hα and [S ii]/Hα average 0.28 and 0.35, respectively. In both ratios, higher values are found preferentially at larger radii from λ Ori, although the behavior of [N ii]/Hα is complicated near the edges of the nebula. The [S ii]/[N ii] intensity ratio ranges from ˜0.5 to ˜1.0, with the value increasing toward larger radii (and lower Hα intensities). Variations of the [S ii]/Hα, [N ii]/Hα, and [S ii]/[N ii] line ratios in this diffuse region show some similar trends to those seen in the warm ionized medium (WIM) but with generally lower metal-line ratios. As with the WIM, the trends are driven by changes in the underlying physical parameters, most notably the ionization states and gas temperature. To investigate which cause might be dominant in this region, we use these extremely high signal-to-noise observations to construct a map of temperature and non-thermal velocity throughout the nebula. Using the line widths of Hα and [S ii], we separate thermal and non-thermal components and find spatial trends of these parameters within the nebula. Ion temperatures range between 4000 and 8000 K throughout the nebula. The non-thermal velocity map reveals a decrease in velocity from about 10 to 5 km s-1 from the center to the edge of the lower half of the H ii region. In addition to using the widths as a measure of temperature, we also use the variation in [N ii]/Hα to estimate electron temperature. The results obtained from this

  10. A numerical model of non-equilibrium thermal plasmas. II. Governing equations

    SciTech Connect

    Li HePing; Zhang XiaoNing; Xia Weidong

    2013-03-15

    Governing equations and the corresponding physical properties of the plasmas are both prerequisites for studying the fundamental processes in a non-equilibrium thermal plasma system numerically. In this paper, a kinetic derivation of the governing equations used for describing the complicated thermo-electro-magneto-hydrodynamic-chemical coupling effects in non-equilibrium thermal plasmas is presented. This derivation, which is achieved using the Chapman-Enskog method, is completely consistent with the theory of the transport properties reported in the previous paper by the same authors. It is shown, based on this self-consistent theory, that the definitions of the specific heat at constant pressure and the reactive thermal conductivity of two-temperature plasmas are not necessary. The governing equations can be reduced to their counterparts under local thermodynamic equilibrium (LTE) and local chemical equilibrium (LCE) conditions. The general method for the determination of the boundary conditions of the solved variables is also discussed briefly. The two papers establish a self-consistent physical-mathematical model that describes the complicated physical and chemical processes in a thermal plasma system for the cases both in LTE or LCE conditions and under non-equilibrium conditions.

  11. Equilibrium and kinetic studies on biosorption of Pb(II) by common edible macrofungi: a comparative study.

    PubMed

    Jiang, Yuan; Hao, Ruixia; Yang, Shiqin

    2016-04-01

    In this work, we studied the natural bioaccumulation and biosorption of Pb(II) in several common edible macrofungi. The macrofungi include the following species: Lentinus edodes, Pleurotus eryngii, Flammulina velutipes, Hypsizygus marmoreus, and Agrocybe cylindracea. The present analysis of Pb(II) revealed distinct capabilities of metal accumulation among individual species. Moreover, the natural concentrations of lead did not reach a health risk level when cultivated in uncontaminated soil. In the biosorption experiment by edible macrofungi, we found that the equilibrium data of living sporocarp (P. eryngii and H. marmoreus) and the homogenate of L. edodes and F. velutipes fit the Freundlich model well. Other data samples exhibited a better fit to the Langmuir model. The edible macrofungi showed a higher lead removal capacity than did other biosorbents. Furthermore, the pseudo-second-order kinetics model exhibited the best fit to the biosorption processes. The effectiveness of edible macrofungi as biosorbents for Pb(II) was confirmed.

  12. Lead(II)-catalyzed oxidation of guanine in solution studied with electrospray ionization mass spectrometry.

    PubMed

    Banu, Laura; Blagojevic, Voislav; Bohme, Diethard K

    2012-10-04

    The oxidation of guanine was investigated in water/methanol solution both in the absence and in the presence of Pb(II) with a variable temperature reactor coupled to a tandem mass spectrometer that allowed signature ions of solution reagents and products to be monitored by electrospray ionization (ESI). Two different oxidizing agents were employed, one strong (peroxymonosulfuric acid) and one weaker (hydrogen peroxide). Peroxymonosulfuric acid was observed to oxidize guanine rapidly at room temperature, k(app) > 10(-2) s(-1), whether in the absence or in the presence of Pb(II), to produce spiroiminohydantoin. Guanine did not show measurable oxidation by hydrogen peroxide in the absence of Pb(II) at concentrations of H(2)O(2) up to 1 M at temperatures up to 333 K (k(app) < 3 × 10(-8) s(-1) at 298 K), but in the presence of Pb(II), it was observed to produce both 5-carboxamido-5-formamido-2-iminohydantoin (2-Ih) and imidazolone (Iz) in a ratio of 2.3 ± 0.1 with a total rate enhancement of more than 4 × 10(3). The activation energy was measured to be 82 ± 11 kJ mol(-1) and is more than 120 kJ mol(-1) lower than that for the uncatalyzed oxidation with hydrogen peroxide measured to be at least 208 ± 26 kJ mol(-1). An activation energy of 113 ± 9 kJ mol(-1) has been reported by Bruskov et al. (Nucleic Acids Res.2002, 30, 1354) for the heat-induced oxidation by hydrogen peroxide of guanine embedded as guanosine in DNA which leads to the production of 8-oxo-7,8-dihydro-guanine (8-oxo-Gua). The atomic lead dication lowers the activation energy by activating the hydrogen peroxide oxidant, possibly by O-O bond activation, and by directing the oxidation, possibly through coordination to the functional groups adjacent to the carbon C5: the C6 carbonyl group and the N7 nitrogen. The coupling of tandem mass spectrometry (MS(2)) with a simple variable temperature reactor by ESI proved to be very effective for measuring reaction kinetics and activation energies in solution

  13. Equilibrium and kinetic modelling of cadmium(II) biosorption by nonliving algal biomass Oedogonium sp. from aqueous phase.

    PubMed

    Gupta, V K; Rastogi, A

    2008-05-01

    The biosorption of cadmium(II) ions on Oedogonium sp. is studied in a batch system with respect to initial pH, algal dose, contact time and the temperature. The algal biomass exhibited the highest cadmium(II) uptake capacity at 25 degrees C, at the initial pH value of 5.0 in 55 min and at the initial cadmium(II) ion concentration of 200 mg L(-1). Biosorption capacity decreased from 88.9 to 80.4 mg g(-1) with an increase in temperature from 25 to 45 degrees C at this initial cadmium(II) concentration. Uptake kinetics follows the pseudo-second-order model and equilibrium is well described by Langmuir isotherm. Isotherms have been used to determine thermodynamic parameters of the process, viz., free energy change, enthalpy change and entropy change. FTIR analysis of algal biomass revealed the presence of amino, carboxyl, hydroxyl and carbonyl groups, which are responsible for biosorption of metal ions. Acid pretreatments did not substantially increase metal sorption capacity but alkali like NaOH pretreatment slightly enhanced the metal removal ability of the biomass. During repeated sorption/desorption cycles at the end of fifth cycle, Cd(II) sorption decreased by 18%, with 15-20% loss of biomass. Nevertheless, Oedogonium sp. appears to be a good sorbent for removing metal Cd(II) from aqueous phase.

  14. Equilibrium gas flow computations. II - An analysis of numerical formulations of conservation laws

    NASA Technical Reports Server (NTRS)

    Vinokur, Marcel; Liu, Yen

    1988-01-01

    Modern numerical techniques employing properties of flux Jacobian matrices are extended to general, equilibrium gas laws. Generalizations of the Beam-Warming scheme, Steger-Warming and van Leer flux-vector splittings, and Roe's approximate Riemann solver are presented for three-dimensional, time-varying grids. The approximations inherent in previous generalizations are discussed.

  15. Ionization equilibrium at the transition from valence-band to acceptor-band migration of holes in boron-doped diamond

    NASA Astrophysics Data System (ADS)

    Poklonski, N. A.; Vyrko, S. A.; Poklonskaya, O. N.; Kovalev, A. I.; Zabrodskii, A. G.

    2016-06-01

    A quasi-classical model of ionization equilibrium in the p-type diamond between hydrogen-like acceptors (boron atoms which substitute carbon atoms in the crystal lattice) and holes in the valence band (v-band) is proposed. The model is applicable on the insulator side of the insulator-metal concentration phase transition (Mott transition) in p-Dia:B crystals. The densities of the spatial distributions of impurity atoms (acceptors and donors) and of holes in the crystal are considered to be Poissonian, and the fluctuations of their electrostatic potential energy are considered to be Gaussian. The model accounts for the decrease in thermal ionization energy of boron atoms with increasing concentration, as well as for electrostatic fluctuations due to the Coulomb interaction limited to two nearest point charges (impurity ions and holes). The mobility edge of holes in the v-band is assumed to be equal to the sum of the threshold energy for diffusion percolation and the exchange energy of the holes. On the basis of the virial theorem, the temperature Tj is determined, in the vicinity of which the dc band-like conductivity of holes in the v-band is approximately equal to the hopping conductivity of holes via the boron atoms. For compensation ratio (hydrogen-like donor to acceptor concentration ratio) K ≈ 0.15 and temperature Tj, the concentration of "free" holes in the v-band and their jumping (turbulent) drift mobility are calculated. Dependence of the differential energy of thermal ionization of boron atoms (at the temperature 3Tj/2) as a function of their concentration N is calculated. The estimates of the extrapolated into the temperature region close to Tj hopping drift mobility of holes hopping from the boron atoms in the charge states (0) to the boron atoms in the charge states (-1) are given. Calculations based on the model show good agreement with electrical conductivity and Hall effect measurements for p-type diamond with boron atom concentrations in the

  16. Pb(II) adsorption by a novel activated carbon - alginate composite material. A kinetic and equilibrium study.

    PubMed

    Cataldo, Salvatore; Gianguzza, Antonio; Milea, Demetrio; Muratore, Nicola; Pettignano, Alberto

    2016-11-01

    The adsorption capacity of an activated carbon - calcium alginate composite material (ACAA-Ca) has been tested with the aim of developing a new and more efficient adsorbent material to remove Pb(II) ion from aqueous solution. The study was carried out at pH=5, in NaCl medium and in the ionic strength range 0.1-0.75molL(-1). Differential Pulse Anodic Stripping Voltammetry (DP-ASV) technique was used to check the amount of Pb(II) ion removed during kinetic and equilibrium experiments. Different kinetic (pseudo first order, pseudo second order and Vermuelen) and equilibrium (Langmuir and Freundlich) models were used to fit experimental data, and were statistically compared. Calcium alginate (AA-Ca) improves the adsorption capacity (qm) of active carbon (AC) in the ACAA-Ca adsorbent material (e.g., qm=15.7 and 10.5mgg(-1) at I=0.25molL(-1), for ACAA-Ca and AC, respectively). SEM-EDX and thermogravimetric (TGA) measurements were carried out in order to characterize the composite material. The results of the speciation study on the Pb(II) solution and of the characterization of the ACAA-Ca and of the pristine AA-Ca and AC were evaluated in order to explain the specific contribution of AC and AA-Ca to the adsorption of the metal ion.

  17. Constraining the escape fraction of ionizing photons from H ii regions within NGC 300: A concept paper

    NASA Astrophysics Data System (ADS)

    Niederhofer, F.; Hilker, M.; Bastian, N.; Ercolano, B.

    2016-07-01

    Using broadband photometry from the Hubble Space Telescope in combination with Very Large Telescope narrowband Hα observations of the nearby spiral galaxy NGC 300, we explore a method for estimating the escape fractions of hydrogen-ionizing photons from H ii regions within this galaxy. Our goal in this concept study is to evaluate the spectral types of the most massive stars using the broadband data and estimating their ionizing photon output with the help of stellar atmosphere models. A comparison with the Hα flux that gives the amount of ionized gas in the H ii region provides a measure of the escape fraction of ionizing photons from that region. We performed some tests with a number of synthetic young clusters with varying parameters to assess the reliability of the method. However, we found that the derived stellar spectral types and consequently the expected ionizing photon luminosity of a region is highly uncertain. The tests also show that on one hand we tended to overestimate the integrated photon output of a region for young ages and low numbers of stars, and on the other hand we mostly underestimated the combined ionizing luminosity for a large stellar number and older cluster ages. We conclude that the proposed method of using stellar broadband photometry to infer the leakage of ionizing photons from H ii regions is highly uncertain and dominated by the errors of the resulting stellar spectral types. Therefore this method is not suitable. Stellar spectra are needed to reliably determine the stellar types and escape fractions. Studies to this end have been carried out for the Magellanic Clouds. Based on observations made with the NASA/ESA Hubble Space Telescope, and obtained from the Hubble Legacy Archive, which is a collaboration between the Space Telescope Science Institute (STScI/NASA), the Space Telescope European Coordinating Facility (ST-ECF/ESA) and the Canadian Astronomy Data Centre (CADC/NRC/CSA).Based on observations made with ESO telescopes

  18. Equilibrium and kinetic modelling of Cd(II) biosorption by algae Gelidium and agar extraction algal waste.

    PubMed

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

    2006-01-01

    In this study an industrial algal waste from agar extraction has been used as an inexpensive and effective biosorbent for cadmium (II) removal from aqueous solutions. This biosorbent was compared with the algae Gelidium itself, which is the raw material for agar extraction. Equilibrium data follow both Langmuir and Redlich-Peterson models. The parameters of Langmuir equilibrium model are q(max)=18.0 mgg(-1), b=0.19 mgl(-1) and q(max)=9.7 mgg(-1), b=0.16 mgl(-1), respectively for Gelidium and the algal waste. Kinetic experiments were conducted at initial Cd(II) concentrations in the range 6-91 mgl(-1). Data were fitted to pseudo-first- and second-order Lagergren models. For an initial Cd(II) concentration of 91 mgl(-1) the parameters of the pseudo-first-order Lagergren model are k(1,ads)=0.17 and 0.87 min(-1); q(eq)=16.3 and 8.7 mgg(-1), respectively, for Gelidium and algal waste. Kinetic constants vary with the initial metal concentration. The adsorptive behaviour of biosorbent particles was modelled using a batch reactor mass transfer kinetic model. The model successfully predicts Cd(II) concentration profiles and provides significant insights on the biosorbents performance. The homogeneous diffusivity, D(h), is in the range 0.5-2.2 x10(-8) and 2.1-10.4 x10(-8)cm(2)s(-1), respectively, for Gelidium and algal waste.

  19. The magnetic, basal, and radiative-equilibrium components in Mount Wilson Ca II H + K fluxes

    SciTech Connect

    Schrijver, C.J.; Dobson, A.K.; Radick, R.R.; Joint Institute for Laboratory Astrophysics, Boulder, CO )

    1989-06-01

    Mount Wilson Ca II H + K flux measurements of cool dwarf stars are analyzed and compared with stellar Mg II h + k fluxes, variability amplitudes, rotation rates, and solar data. It is concluded that the Mount Wilson Ca II H + K fluxes comprise three principal parts: (1) a photospheric contribution in the line wings, (2) a basal chromospheric component that appears to be unrelated to stellar magnetic activity and is, therefore, possibly nonmagnetic in origin, and (3) a chromospheric component which is associated with magnetically active regions and the (quiet and active) network. The basal chromosphere appears to cover the entire surface of magnetically inactive stars. The basal Ca II H + K flux density for solar-type stars equals the average emission observed in the centers of solar supergranulation cells, where the magnetic flux density is small. 27 refs.

  20. The magnetic, basal, and radiative-equilibrium components in Mount Wilson Ca II H + K fluxes

    NASA Technical Reports Server (NTRS)

    Schrijver, C. J.; Dobson, Andrea K.; Radick, Richard R.

    1989-01-01

    Mount Wilson Ca II H + K flux measurements of cool dwarf stars are analyzed and compared with stellar Mg II h + k fluxes, variability amplitudes, rotation rates, and solar data. It is concluded that the Mount Wilson Ca II H + K fluxes comprise three principal parts: (1) a photospheric contribution in the line wings, (2) a basal chromospheric component that appears to be unrelated to stellar magnetic activity and is, therefore, possibly nonmagnetic in origin, and (3) a chromospheric component which is associated with magnetically active regions and the (quiet and active) network. The basal chromosphere appears to cover the entire surface of magnetically inactive stars. The basal Ca II H + K flux density for solar-type stars equals the average emission observed in the centers of solar supergranulation cells, where the magnetic flux density is small.

  1. Adsorption of Pb(II) ions from aqueous solution by native and activated bentonite: kinetic, equilibrium and thermodynamic study.

    PubMed

    Kul, Ali Riza; Koyuncu, Hülya

    2010-07-15

    In this study, the adsorption kinetics, equilibrium and thermodynamics of Pb(II) ions on native (NB) and acid activated (AAB) bentonites were examined. The specific surface areas, pore size and pore-size distributions of the samples were fully characterized. The adsorption efficiency of Pb(II) onto the NB and AAB was increased with increasing temperature. The kinetics of adsorption of Pb(II) ions was discussed using three kinetic models, the pseudo-first-order, the pseudo-second-order and the intra-particle diffusion model. The experimental data fitted very well the pseudo-second-order kinetic model. The initial sorption rate and the activation energy were also calculated. The activation energy of the sorption was calculated as 16.51 and 13.66 kJ mol(-1) for NB and AAB, respectively. Experimental results were also analysed by the Langmuir, Freundlich and Dubinin-Redushkevich (D-R) isotherm equations at different temperatures. R(L) separation factor for Langmuir and the n value for Freundlich isotherm show that Pb(II) ions are favorably adsorbed by NB and AAB. Thermodynamic quantities such as Gibbs free energy (DeltaG), the enthalpy (DeltaH) and the entropy change of sorption (DeltaS) were determined as about -5.06, 10.29 and 0.017 kJ mol(-1) K(-1), respectively for AAB. It was shown that the sorption processes were an endothermic reactions, controlled by physical mechanisms and spontaneously.

  2. CHEMICAL PROCESSES IN PROTOPLANETARY DISKS. II. ON THE IMPORTANCE OF PHOTOCHEMISTRY AND X-RAY IONIZATION

    SciTech Connect

    Walsh, Catherine; Millar, T. J.; Nomura, Hideko; Aikawa, Yuri

    2012-03-10

    We investigate the impact of photochemistry and X-ray ionization on the molecular composition of, and ionization fraction in, a protoplanetary disk surrounding a typical T Tauri star. We use a sophisticated physical model, which includes a robust treatment of the radiative transfer of UV and X-ray radiation, and calculate the time-dependent chemical structure using a comprehensive chemical network. In previous work, we approximated the photochemistry and X-ray ionization; here, we recalculate the photoreaction rates using the explicit UV wavelength spectrum and wavelength-dependent reaction cross sections. We recalculate the X-ray ionization rate using our explicit elemental composition and X-ray energy spectrum. We find that photochemistry has a larger influence on the molecular composition than X-ray ionization. Observable molecules sensitive to the photorates include OH, HCO{sup +}, N{sub 2}H{sup +}, H{sub 2}O, CO{sub 2}, and CH{sub 3}OH. The only molecule significantly affected by the X-ray ionization is N{sub 2}H{sup +}, indicating that it is safe to adopt existing approximations of the X-ray ionization rate in typical T Tauri star-disk systems. The recalculation of the photorates increases the abundances of neutral molecules in the outer disk, highlighting the importance of taking into account the shape of the UV spectrum in protoplanetary disks. A recalculation of the photoreaction rates also affects the gas-phase chemistry due to the adjustment of the H/H{sub 2} and C{sup +}/C ratios. The disk ionization fraction is not significantly affected by the methods adopted to calculate the photochemistry and X-ray ionization. We determine that there is a probable 'dead zone' where accretion is suppressed, present in a layer, Z/R {approx}< 0.1-0.2, in the disk midplane, within R Almost-Equal-To 200 AU.

  3. Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions.

    PubMed

    Montoya-Castillo, Andrés; Reichman, David R

    2017-02-28

    The ability to efficiently and accurately calculate equilibrium time correlation functions of many-body condensed phase quantum systems is one of the outstanding problems in theoretical chemistry. The Nakajima-Zwanzig-Mori formalism coupled to the self-consistent solution of the memory kernel has recently proven to be highly successful for the computation of nonequilibrium dynamical averages. Here, we extend this formalism to treat symmetrized equilibrium time correlation functions for the spin-boson model. Following the first paper in this series [A. Montoya-Castillo and D. R. Reichman, J. Chem. Phys. 144, 184104 (2016)], we use a Dyson-type expansion of the projected propagator to obtain a self-consistent solution for the memory kernel that requires only the calculation of normally evolved auxiliary kernels. We employ the approximate mean-field Ehrenfest method to demonstrate the feasibility of this approach. Via comparison with numerically exact results for the correlation function Czz(t)=Re⟨σz(0)σz(t)⟩, we show that the current scheme affords remarkable boosts in accuracy and efficiency over bare Ehrenfest dynamics. We further explore the sensitivity of the resulting dynamics to the choice of kernel closures and the accuracy of the initial canonical density operator.

  4. Magnetohydrostatic equilibrium. II. Three-dimensional multiple open magnetic flux tubes in the stratified solar atmosphere

    SciTech Connect

    Gent, F. A.; Erdélyi, R.; Fedun, V.

    2014-07-01

    A system of multiple open magnetic flux tubes spanning the solar photosphere and lower corona is modeled analytically, within a realistic stratified atmosphere subject to solar gravity. This extends results for a single magnetic flux tube in magnetohydrostatic equilibrium, described in Gent et al. Self-similar magnetic flux tubes are combined to form magnetic structures, which are consistent with high-resolution observations. The observational evidence supports the existence of strands of open flux tubes and loops persisting in a relatively steady state. Self-similar magnetic flux tubes, for which an analytic solution to the plasma density and pressure distribution is possible, are combined. We calculate the appropriate balancing forces, applying to the equations of momentum and energy conservation to preserve equilibrium. Multiplex flux tube configurations are observed to remain relatively stable for up to a day or more, and it is our aim to apply our model as the background condition for numerical studies of energy transport mechanisms from the solar surface to the corona. We apply magnetic field strength, plasma density, pressure, and temperature distributions consistent with observational and theoretical estimates for the lower solar atmosphere. Although each flux tube is identical in construction apart from the location of the radial axis, combinations can be applied to generate a non-axisymmetric magnetic field with multiple non-uniform flux tubes. This is a considerable step forward in modeling the realistic magnetized three-dimensional equilibria of the solar atmosphere.

  5. Kinetic, equilibrium and thermodynamic studies for the removal of lead (II) and copper (II) ions from aqueous solutions by nanocrystalline TiO

    NASA Astrophysics Data System (ADS)

    Rashidi, Fatemeh; Sarabi, Reza Sadeghi; Ghasemi, Zinab; Seif, Ahmad

    2010-12-01

    Titanium dioxide nanocrystallites were synthesized as adsorbents through the hydrolysis of titanium tetrachloride as the precursor in hydrochloric acid. The product was analyzed by XRD, BET and SEM-EDX; analysis indicated that the particles were a mixture of 86.8% rutile and 13.2% anatase TiO 2 with spherical shapes. The adsorption of Pb (II) and Cu (II) metal ions from aqueous solution onto nano- TiO 2 were investigated with variations in pH, contact time, initial metal ion concentration and temperature. The kinetics, adsorption isotherm and adsorption thermodynamics of the heavy metals were studied. The kinetics data were analyzed by the pseudo-first order, pseudo-second order and intraparticle diffusion kinetic models; the best correlation coefficients were obtained for the pseudo-second order kinetic model. The adsorption results obtained from equilibrium experiments were analyzed by Freundlich, Langmuir, Temkin and Dubinin-Radushkevich isotherms with the Freundlich isotherm giving the best fitting isotherm to the equilibrium data. The thermodynamic parameters ( ΔG°, ΔH° and ΔS°) were calculated and it was found that the adsorption process is spontaneous and endothermic and is favored at higher temperature.

  6. Batch sorption dynamics, kinetics and equilibrium studies of Cr(VI), Ni(II) and Cu(II) from aqueous phase using agricultural residues

    NASA Astrophysics Data System (ADS)

    Kaur, Rajvinder; Singh, Joginder; Khare, Rajshree; Cameotra, Swaranjit Singh; Ali, Amjad

    2013-03-01

    In the present study, the agricultural residues viz., Syzygium cumini and Populus deltoides leaves powder have been used for the biosorption of Cu(II), Ni(II), and Cr(VI) from aqueous solutions. FTIR and SEM analysis of the biosorbents were performed to explore the type of functional groups available for metal binding and to study the surface morphology. Various physico-chemical parameters such as pH, adsorbent dosage, initial metal ion concentration, and equilibrium contact time were studied. Thermodynamic studies were carried out and the results demonstrated the spontaneous and endothermic nature of the biosorption process. The equilibrium data were tested using four isotherm models—Langmuir, Freundlich, Temkin and Dubinin-Radushkevich and the maximum biosorption capacities were evaluated. The Pseudo-first-order, pseudo-second-order, Elovich and intraparticle diffusion models were applied to study the reaction kinetics with pseudo-second order model giving the best fit ( R 2 = 0.99) to the experimental data.

  7. BAT AGN spectroscopic survey-II. X-ray emission and high-ionization optical emission lines

    NASA Astrophysics Data System (ADS)

    Berney, Simon; Koss, Michael; Trakhtenbrot, Benny; Ricci, Claudio; Lamperti, Isabella; Schawinski, Kevin; Baloković, Mislav; Crenshaw, D. Michael; Fischer, Travis; Gehrels, Neil; Harrison, Fiona; Hashimoto, Yasuhiro; Ichikawa, Kohei; Mushotzky, Richard; Oh, Kyuseok; Stern, Daniel; Treister, Ezequiel; Ueda, Yoshihiro; Veilleux, Sylvain; Winter, Lisa

    2015-12-01

    We investigate the relationship between X-ray and optical line emission in 340 nearby (z ≃ 0.04) AGN selected above 10 keV using Swift BAT. We find a weak correlation between the extinction corrected [O III] and hard X-ray luminosity (L_[O III]^{int} ∝ L_{14-195}) with a large scatter (RPear = 0.64, σ = 0.62 dex) and a similarly large scatter with the intrinsic 2-10 keV to [O III] luminosities (RPear = 0.63, σ = 0.63 dex). Correlations of the hard X-ray fluxes with the fluxes of high-ionization narrow lines ([O III], He II, [Ne III] and [Ne V]) are not significantly better than with the low-ionization lines (H α, [S II]). Factors like obscuration or physical slit size are not found to be a significant part of the large scatter. In contrast, the optical emission lines show much better correlations with each other (σ = 0.3 dex) than with the X-ray flux. The inherent large scatter questions the common usage of narrow emission lines as AGN bolometric luminosity indicators and suggests that other issues such as geometrical differences in the scattering of the ionized gas or long-term AGN variability are important.

  8. Partial equilibrium approximations in apoptosis. II. The death-inducing signaling complex subsystem.

    PubMed

    Huang, Ya-Jing; Hong, Liu; Yong, Wen-An

    2015-12-01

    This paper is a continuation of our previous work (Huang and Yong, 2013) for simplifying the Fas signaling-induced apoptotic pathway identified by Hua et al. (2005) for human tumor T cells. The previous paper studied the downstream intracelluar-signaling subsystem, while the present one is concerned with the upstream death-inducing signaling complex (DISC) subsystem. Under the assumption that the bind of Fas-associated death domains and FLICE-inhibitory proteins to the DISC is much faster than that of the initiator procaspases, we greatly simplify the upstream subsystem from 35 reactions with 26 species to 6 reactions with 9 species by adopting the classical and recently justified partial equilibrium approximation method. Numerical simulations show that the simplified model is in an excellent agreement with the original model. Most importantly, the simplified model clearly reveals the key reactants and dominated pathways in the Fas signaling process, and thus provides new insights into the apoptosis.

  9. Adsorption of Zinc(II) on diatomite and manganese-oxide-modified diatomite: a kinetic and equilibrium study.

    PubMed

    Caliskan, Necla; Kul, Ali Riza; Alkan, Salih; Sogut, Eda Gokirmak; Alacabey, Ihsan

    2011-10-15

    The removal of Zn(II) ions from aqueous solution was studied using natural and MnO(2) modified diatomite samples at different temperatures. The linear Langmuir, Freundlich and Dubinin-Radushkevich (D-R) adsorption equations were applied to describe the equilibrium isotherms. From the D-R model, the mean adsorption energy was calculated as >8 kJ mol(-1), indicating that the adsorption of Zn(II) onto diatomite and Mn-diatomite was physically carried out. In addition, the pseudo-first-order, pseudo-second-order and intraparticle diffusion models were used to determine the kinetic data. The experimental data were well fitted by the pseudo-second-order kinetic model. Thermodynamic parameters such as the enthalpy (ΔH(0)), Gibbs' free energy (ΔG(0)) and entropy (ΔS(0)) were calculated for natural and MnO(2) modified diatomite. These values showed that the adsorption of Zn(II) ions onto diatomite samples was controlled by a physical mechanism and occurred spontaneously.

  10. Determination of kinetic and equilibrium parameters of the batch adsorption of Mn(II), Co(II), Ni(II) and Cu(II) from aqueous solution by black carrot (Daucus carota L.) residues.

    PubMed

    Güzel, Fuat; Yakut, Hakan; Topal, Giray

    2008-05-30

    In this study, the effect of temperature on the adsorption of Mn(II), Ni(II), Co(II) and Cu(II) from aqueous solution by modified carrot residues (MCR) was investigated. The equilibrium contact times of adsorption process for each heavy metals-MCR systems were determined. Kinetic data obtained for each heavy metal by MCR at different temperatures were applied to the Lagergren equation, and adsorption rate constants (kads) at these temperatures were determined. These rate constants related to the adsorption of heavy metal by MCR were applied to the Arrhenius equation, and activation energies (Ea) were determined. In addition, the isotherms for adsorption of each heavy metal by MCR at different temperatures were also determined. These isothermal data were applied to linear forms of isotherm equations that they fit the Langmuir adsorption isotherm, and the Langmuir constants (qm and b) were calculated. b constants determined at different temperatures were applied to thermodynamic equations, and thermodynamic parameters such as enthalpy (Delta H), free energy (Delta G), and entropy (Delta S) were calculated and these values show that adsorption of heavy metal on MCR was an endothermic process and process of adsorption was favoured at high temperatures.

  11. Thermochromic Magnetic Ionic Liquids from Cationic Nickel(II) Complexes Exhibiting Intramolecular Coordination Equilibrium.

    PubMed

    Lan, Xue; Mochida, Tomoyuki; Funasako, Yusuke; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi

    2017-01-18

    Among the various thermochromic materials, liquid thermochromic materials are comparatively rare. To produce functional thermochromic liquids, we have designed ionic liquids based on cationic nickel complexes with ether side chains, [Ni(acac)(Me2 NC2 H4 NR(1) R(2) )]Tf2 N ([1]Tf2 N: R(1) =C3 H6 OEt, R(2) =Me; [2]Tf2 N: R(1) =C3 H6 OMe, R(2) =Me; [3]Tf2 N: R(1) =R(2) =C3 H6 OMe), where acac=acetylacetonate and Tf2 N=(F3 CSO2 )2 N(-) . The side chains (R(1) , R(2) ) can moderately coordinate to the metal center, enabling temperature-dependent coordination equilibria in the liquid state. [1]Tf2 N is a liquid at room temperature. [2]Tf2 N is obtained as a solid (Tm =352.7 K) but remains liquid at room temperature after melting. [3]Tf2 N is a solid with a high melting point (Tm =422.3 K). These salts display thermochromism in the liquid state, appearing red at high temperatures and orange, light-blue, or bluish-green at lower temperatures, and exhibiting concomitant changes in their magnetic properties. This phenomenon is based on temperature-dependent equilibrium between a square-planar diamagnetic species and a paramagnetic species with intramolecular ether coordination.

  12. Fluids with competing interactions. II. Validating a free energy model for equilibrium cluster size

    NASA Astrophysics Data System (ADS)

    Bollinger, Jonathan A.; Truskett, Thomas M.

    2016-08-01

    Using computer simulations, we validate a simple free energy model that can be analytically solved to predict the equilibrium size of self-limiting clusters of particles in the fluid state governed by a combination of short-range attractive and long-range repulsive pair potentials. The model is a semi-empirical adaptation and extension of the canonical free energy-based result due to Groenewold and Kegel [J. Phys. Chem. B 105, 11702-11709 (2001)], where we use new computer simulation data to systematically improve the cluster-size scalings with respect to the strengths of the competing interactions driving aggregation. We find that one can adapt a classical nucleation like theory for small energetically frustrated aggregates provided one appropriately accounts for a size-dependent, microscopic energy penalty of interface formation, which requires new scaling arguments. This framework is verified in part by considering the extensive scaling of intracluster bonding, where we uncover a superlinear scaling regime distinct from (and located between) the known regimes for small and large aggregates. We validate our model based on comparisons against approximately 100 different simulated systems comprising compact spherical aggregates with characteristic (terminal) sizes between six and sixty monomers, which correspond to wide ranges in experimentally controllable parameters.

  13. Microscopic Conductivity of Lattice Fermions at Equilibrium. Part II: Interacting Particles

    NASA Astrophysics Data System (ADS)

    Bru, Jean-Bernard; de Siqueira Pedra, Walter

    2016-01-01

    We apply Lieb-Robinson bounds for multi-commutators we recently derived (Bru and de Siqueira Pedra, Lieb-Robinson bounds for multi-commutators and applications to response theory, 2015) to study the (possibly non-linear) response of interacting fermions at thermal equilibrium to perturbations of the external electromagnetic field. This analysis leads to an extension of the results for quasi-free fermions of (Bru et al. Commun Pure Appl Math 68(6):964-1013, 2015; Bru et al. J Math Phys 56:051901-1-051901-51, 2015) to fermion systems on the lattice with short-range interactions. More precisely, we investigate entropy production and charge transport properties of non-autonomous C*-dynamical systems associated with interacting lattice fermions within bounded static potentials and in presence of an electric field that is time and space dependent. We verify the 1st law of thermodynamics for the heat production of the system under consideration. In linear response theory, the latter is related with Ohm and Joule's laws. These laws are proven here to hold at the microscopic scale, uniformly with respect to the size of the (microscopic) region where the electric field is applied. An important outcome is the extension of the notion of conductivity measures to interacting fermions.

  14. Low-Ionization Emission Regions in Quasars: Gas Properties Probed with Broad O I and Ca II Lines

    NASA Astrophysics Data System (ADS)

    Matsuoka, Y.; Kawara, K.; Oyabu, S.

    2008-01-01

    We have compiled the emission-line fluxes of O I λ8446, O I λ11287, and the near-infrared (IR) Ca II triplet (λ8579) observed in 11 quasars. These lines are considered to emerge from the same gas as do the Fe II lines in the low-ionized portion of the broad emission line region (BELR). The compiled quasars are distributed over wide ranges of redshift (0.06 <= z<= 1.08) and of luminosity (-29.8 <= MB <= - 22.1), thus providing a useful sample to investigate the line-emitting gas properties in various quasar environments. The measured line strengths and velocities, as functions of the quasar properties, are analyzed using photoionization model calculations. We found that the flux ratio between the Ca II triplet and O I λ8446 is hardly dependent on the redshift or luminosity, indicating similar gas densities in the emission region from quasar to quasar. On the other hand, a scatter of the O I λ11287/λ8446 ratios appears to imply the diversity of the ionization parameter. These facts invoke a picture of the line-emitting gases in quasars that have similar densities and are located at regions exposed to various ionizing radiation fluxes. The observed O I line widths are found to be remarkably similar over more than 3 orders of magnitude in luminosity, which indicates a kinematically determined location of the emission region and is in clear contrast to the case of H I lines. We also argue about the dust presence in the emission region since the region is suggested to be located near the dust sublimation point at the outer edge of the BELR.

  15. Optical observations on the CRIT-II Critical Ionization Velocity Experiment

    NASA Technical Reports Server (NTRS)

    Stenbaek-Nielsen, H. C.; Wescott, E. M.; Haerendel, G.; Valenzuela, A.

    1990-01-01

    A rocket borne Critical Ionization Velocity (CIV0 experiment was carried out from Wallops Island at dusk on May 4, 1989. Two barium shaped charges were released below the solar terminator (to prevent photoionization) at altitudes near 400 km. The ambient ionospheric electron density was 50,000/cu cm. The neutral barium jet was directed upward and at an angle of nominally 45 degrees to B which gives approximately 3 x 10 to the 23rd neutrals with super critical velocity. Ions created by a CIV process in the region of the neutral jet would travel up along B into sunlight where they can be detected optically. Well defined ion clouds (max. brightness 750 R) were observed in both releases. An ionization rate of 0.8 percent/sec (125 sec ionization time constant) can account for the observed ion cloud near the release field line, but the ionization rate falls off with increasing distance from the release. It is concluded that a CIV process was present in the neutral jet out to about 50 km from the release, which is significantly further than allowed by current theories.

  16. DYNAMICS OF CORONAL RAIN AND DESCENDING PLASMA BLOBS IN SOLAR PROMINENCES. II. PARTIALLY IONIZED CASE

    SciTech Connect

    Oliver, R.; Soler, R.; Terradas, J.; Zaqarashvili, T. V.

    2016-02-20

    Coronal rain clumps and prominence knots are dense condensations with chromospheric to transition region temperatures that fall down in the much hotter corona. Their typical speeds are in the range 30–150 km s{sup −1} and of the order of 10–30 km s{sup −1}, respectively, i.e., they are considerably smaller than free-fall velocities. These cold blobs contain a mixture of ionized and neutral material that must be dynamically coupled in order to fall together, as observed. We investigate this coupling by means of hydrodynamic simulations in which the coupling arises from the friction between ions and neutrals. The numerical simulations presented here are an extension of those of Oliver et al. to the partially ionized case. We find that, although the relative drift speed between the two species is smaller than 1 m s{sup −1} at the blob center, it is sufficient to produce the forces required to strongly couple charged particles and neutrals. The ionization degree has no discernible effect on the main results of our previous work for a fully ionized plasma: the condensation has an initial acceleration phase followed by a period with roughly constant velocity, and, in addition, the maximum descending speed is clearly correlated with the ratio of initial blob to environment density.

  17. Kinetic and equilibrium studies for the adsorption process of cadmium(II) and copper(II) onto Pseudomonas aeruginosa using square wave anodic stripping voltammetry method.

    PubMed

    Kong, Bo; Tang, Biyu; Liu, Xiaoying; Zeng, Xiandong; Duan, Haiyan; Luo, Shenglian; Wei, Wanzhi

    2009-08-15

    A novel method for the simultaneous determination of cadmium(II) and copper(II) during the adsorption process onto Pseudomonas aeruginosa was developed. The concentration of the free metal ions was successfully detected by square wave anodic stripping voltammetry (SWASV) on the mercaptoethane sulfonate (MES) modified gold electrode, while the P. aeruginosa was efficiently avoided approaching to the electrode surface by the MES monolayer. And the anodic stripping peaks of Cd(2+) and Cu(2+) appear at -0.13 and 0.34V respectively, at the concentration range of 5-50 microM, the peak currents of SWASV present linear relationships with the concentrations of cadmium and copper respectively. As the determination of Cd(2+) and Cu(2+) was in real time and without pretreatment, the kinetic characteristics of the adsorption process were studied and all the corresponding regression parameters were obtained by fitting the electrochemical experimental data to the pseudo-second-order kinetic model. Moreover, Langmuir and Freundlich models well described the biosorption isotherms. And there were some differences in the amount of metal ion adsorbed at equilibrium (q(e)) and other kinetics parameters when the two ions coexisted were compared with the unaccompanied condition, which were also discussed in this paper. The proposed electrode system provides excellent platform for the simultaneous determination of trace metals in complex biosorption process.

  18. High-resolution autoionizing line spectra of Mg II and Al III in the 160--260-A range emitted from a Penning ionization discharge plasma

    SciTech Connect

    Finkenthal, M.; Litman, A.; Mandelbaum, P.; Stutman, D.; Schwob, J.L.

    1988-08-01

    Spectra of aluminum and magnesium emitted from a Penning ionization discharge have been recorded in the XUV range by 2-m grazing-incidence spectrometer. Autoionizing satellite lines, originating from transitions between core excited levels lying in the continuum and ground or lowest excited states of the Na I-like Al III and Mg II, have been classified. Their implication for ionization cross-section estimates and XUV laser research is discussed.

  19. H II Region G46.5-0.2: The Interplay between Ionizing Radiation, Molecular Gas, and Star Formation

    NASA Astrophysics Data System (ADS)

    Paron, S.; Ortega, M. E.; Dubner, G.; Yuan, Jing-Hua; Petriella, A.; Giacani, E.; Li, Jin Zeng; Wu, Yuefang; Liu, Hongli; Huang, Ya Fang; Zhang, Si-Ju

    2015-06-01

    H ii regions are particularly interesting because they can generate dense layers of gas and dust, elongated columns or pillars of gas pointing toward the ionizing sources, and cometary globules of dense gas where triggered star formation can occur. Understanding the interplay between the ionizing radiation and the dense surrounding gas is very important to explain the origin of these peculiar structures, and hence to characterize triggered star formation. G46.5-0.2 (G46), a poorly studied galactic H ii region located at about 4 kpc, is an excellent target for performing this kind of study. Using public molecular data extracted from the Galactic Ring Survey (13CO J = 1-0) and from the James Clerk Maxwell Telescope data archive (12CO, 13CO, C18O J = 3-2, HCO+, and HCN J = 4-3), and infrared data from the GLIMPSE and MIPSGAL surveys, we perform a complete study of G46, its molecular environment, and the young stellar objects (YSOs) placed around it. We found that G46, probably excited by an O7V star, is located close to the edge of the GRSMC G046.34-00.21 molecular cloud. It presents a horse-shoe morphology opening in the direction of the cloud. We observed a filamentary structure in the molecular gas likely related to G46 and not considerable molecular emission toward its open border. We found that about 10‧ to the southwest of G46 there are some pillar-like features, shining at 8 μm and pointing toward the H ii region open border. We propose that the pillar-like features were carved and sculpted by the ionizing flux from G46. We found several YSOs likely embedded in the molecular cloud grouped in two main concentrations: one, closer to the G46 open border consisting of Class II type sources, and another mostly composed of Class I type YSOs located just ahead of the pillar-like features, strongly suggesting an age gradient in the YSO distribution.

  20. H ii REGION G46.5-0.2: THE INTERPLAY BETWEEN IONIZING RADIATION, MOLECULAR GAS, AND STAR FORMATION

    SciTech Connect

    Paron, S.; Ortega, M. E.; Dubner, G.; Petriella, A.; Giacani, E.; Yuan, Jing-Hua; Li, Jin Zeng; Liu, Hongli; Huang, Ya Fang; Zhang, Si-Ju; Wu, Yuefang

    2015-06-15

    H ii regions are particularly interesting because they can generate dense layers of gas and dust, elongated columns or pillars of gas pointing toward the ionizing sources, and cometary globules of dense gas where triggered star formation can occur. Understanding the interplay between the ionizing radiation and the dense surrounding gas is very important to explain the origin of these peculiar structures, and hence to characterize triggered star formation. G46.5-0.2 (G46), a poorly studied galactic H ii region located at about 4 kpc, is an excellent target for performing this kind of study. Using public molecular data extracted from the Galactic Ring Survey ({sup 13}CO J = 1–0) and from the James Clerk Maxwell Telescope data archive ({sup 12}CO, {sup 13}CO, C{sup 18}O J = 3–2, HCO{sup +}, and HCN J = 4–3), and infrared data from the GLIMPSE and MIPSGAL surveys, we perform a complete study of G46, its molecular environment, and the young stellar objects (YSOs) placed around it. We found that G46, probably excited by an O7V star, is located close to the edge of the GRSMC G046.34-00.21 molecular cloud. It presents a horse-shoe morphology opening in the direction of the cloud. We observed a filamentary structure in the molecular gas likely related to G46 and not considerable molecular emission toward its open border. We found that about 10′ to the southwest of G46 there are some pillar-like features, shining at 8 μm and pointing toward the H ii region open border. We propose that the pillar-like features were carved and sculpted by the ionizing flux from G46. We found several YSOs likely embedded in the molecular cloud grouped in two main concentrations: one, closer to the G46 open border consisting of Class II type sources, and another mostly composed of Class I type YSOs located just ahead of the pillar-like features, strongly suggesting an age gradient in the YSO distribution.

  1. FLASH SPECTROSCOPY: EMISSION LINES FROM THE IONIZED CIRCUMSTELLAR MATERIAL AROUND <10-DAY-OLD TYPE II SUPERNOVAE

    SciTech Connect

    Khazov, D.; Yaron, O.; Gal-Yam, A.; Manulis, I.; Rubin, A.; Ofek, E. O.; Horesh, A.; Kulkarni, S. R.; Kasliwal, M. M.; Cao, Y.; Perley, D.; Arcavi, I.; Howell, D. A.; Sollerman, J.; Sullivan, M.; Filippenko, A. V.; Nugent, P. E.; Cenko, S. B.; Silverman, J. M.; Ebeling, H.; and others

    2016-02-10

    Supernovae (SNe) embedded in dense circumstellar material (CSM) may show prominent emission lines in their early-time spectra (≤10 days after the explosion), owing to recombination of the CSM ionized by the shock-breakout flash. From such spectra (“flash spectroscopy”), we can measure various physical properties of the CSM, as well as the mass-loss rate of the progenitor during the year prior to its explosion. Searching through the Palomar Transient Factory (PTF and iPTF) SN spectroscopy databases from 2009 through 2014, we found 12 SNe II showing flash-ionized (FI) signatures in their first spectra. All are younger than 10 days. These events constitute 14% of all 84 SNe in our sample having a spectrum within 10 days from explosion, and 18% of SNe II observed at ages <5 days, thereby setting lower limits on the fraction of FI events. We classified as “blue/featureless” (BF) those events having a first spectrum that is similar to that of a blackbody, without any emission or absorption signatures. It is possible that some BF events had FI signatures at an earlier phase than observed, or that they lack dense CSM around the progenitor. Within 2 days after explosion, 8 out of 11 SNe in our sample are either BF events or show FI signatures. Interestingly, we found that 19 out of 21 SNe brighter than an absolute magnitude M{sub R} = −18.2 belong to the FI or BF groups, and that all FI events peaked above M{sub R} = −17.6 mag, significantly brighter than average SNe II.

  2. Flash Spectroscopy: Emission Lines from the Ionized Circumstellar Material Around <10-Day-Old Type II Supernovae

    DOE PAGES

    Khazov, Daniel; Yaron, O.; Gal-Yam, A.; ...

    2016-02-02

    Supernovae (SNe) embedded in dense circumstellar material (CSM) may show prominent emission lines in their early-time spectra (≤10 days after the explosion), owing to recombination of the CSM ionized by the shock-breakout flash. From such spectra ("flash spectroscopy"), we can measure various physical properties of the CSM, as well as the mass-loss rate of the progenitor during the year prior to its explosion. In this paper, by searching through the Palomar Transient Factory (PTF and iPTF) SN spectroscopy databases from 2009 through 2014, we found 12 SNe II showing flash-ionized (FI) signatures in their first spectra. All are younger thanmore » 10 days. These events constitute 14% of all 84 SNe in our sample having a spectrum within 10 days from explosion, and 18% of SNe II observed at ages <5 days, thereby setting lower limits on the fraction of FI events. We classified as "blue/featureless" (BF) those events having a first spectrum that is similar to that of a blackbody, without any emission or absorption signatures. It is possible that some BF events had FI signatures at an earlier phase than observed, or that they lack dense CSM around the progenitor. Within 2 days after explosion, 8 out of 11 SNe in our sample are either BF events or show FI signatures. Finally and interestingly, we found that 19 out of 21 SNe brighter than an absolute magnitude MR = -18.2 belong to the FI or BF groups, and that all FI events peaked above MR = -17.6 mag, significantly brighter than average SNe II.« less

  3. Flash Spectroscopy: Emission Lines from the Ionized Circumstellar Material Around <10-Day-Old Type II Supernovae

    SciTech Connect

    Khazov, Daniel; Yaron, O.; Gal-Yam, A.; Manulis, I.; Rubin, A.; Kulkarni, S. R.; Arcavi, I.; Kasliwal, M. M.; Ofek, E. O.; Cao, Y.; Perley, D.; Sollerman, J.; Horesh, A.; Sullivan, M.; Filippenko, A. V.; Nugent, P. E.; Howell, D. A.; Cenko, S. B.; Silverman, J. M.; Ebeling, H.; Taddia, F.; Johansson, J.; Laher, R. R.; Surace, J.; Rebbapragada, U. D.; Wozniak, Przemyslaw R.; Matheson, T.

    2016-02-02

    Supernovae (SNe) embedded in dense circumstellar material (CSM) may show prominent emission lines in their early-time spectra (≤10 days after the explosion), owing to recombination of the CSM ionized by the shock-breakout flash. From such spectra ("flash spectroscopy"), we can measure various physical properties of the CSM, as well as the mass-loss rate of the progenitor during the year prior to its explosion. In this paper, by searching through the Palomar Transient Factory (PTF and iPTF) SN spectroscopy databases from 2009 through 2014, we found 12 SNe II showing flash-ionized (FI) signatures in their first spectra. All are younger than 10 days. These events constitute 14% of all 84 SNe in our sample having a spectrum within 10 days from explosion, and 18% of SNe II observed at ages <5 days, thereby setting lower limits on the fraction of FI events. We classified as "blue/featureless" (BF) those events having a first spectrum that is similar to that of a blackbody, without any emission or absorption signatures. It is possible that some BF events had FI signatures at an earlier phase than observed, or that they lack dense CSM around the progenitor. Within 2 days after explosion, 8 out of 11 SNe in our sample are either BF events or show FI signatures. Finally and interestingly, we found that 19 out of 21 SNe brighter than an absolute magnitude MR = -18.2 belong to the FI or BF groups, and that all FI events peaked above MR = -17.6 mag, significantly brighter than average SNe II.

  4. Synthesis, characterization, equilibrium study and biological activity of Cu(II), Ni(II) and Co(II) complexes of polydentate Schiff base ligand.

    PubMed

    El-Sherif, Ahmed A; Shehata, Mohamed R; Shoukry, Mohamed M; Barakat, Mohammad H

    2012-10-01

    Schiff base ligand, 1,4-bis[(2-hydroxybenzaldehyde)propyl]piperazine (BHPP), and its Cu(II), Ni(II) and Co(II) metal complexes were synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance and spectral (IR and UV-vis) studies. The ground state of BHPP ligand was investigated using the BUILDER module of MOE. Metal complexes are formed in the 1:1 (M:L) ratio as found from the elemental analysis and found to have the general formula [ML]·nH(2)O, where M=Co(II), Ni(II) and Cu(II), L=BHPP. In all the studied complexes, the (BHPP) ligand behaves as a hexadentate divalent anion with coordination involving the two azomethine nitrogen's, the two nitrogen atoms of piperazine ring and the two deprotonated phenolic OH-groups. The magnetic and spectral data indicates octahedral geometry of metal(II) complexes. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. They were found to be more active against Gram-positive than Gram-negative bacteria. Protonation constants of (BHPP) ligand and stability constants of its Cu(2+), Co(2+) and Ni(2+) complexes were determined by potentiometric titration method in 50% DMSO-water solution at ionic strength of 0.1 M sodium nitrate. It has been observed that the protonated Schiff base ligand (BHPP) have four protonation constants. The divalent metal ions Cu(2+), Ni(2+) and Co(2+) form 1:1 complexes.

  5. How do type II topoisomerases use ATP hydrolysis to simplify DNA topology beyond equilibrium? Investigating the relaxation reaction of nonsupercoiling type II topoisomerases.

    PubMed

    Stuchinskaya, Tanya; Mitchenall, Lesley A; Schoeffler, Allyn J; Corbett, Kevin D; Berger, James M; Bates, Andrew D; Maxwell, Anthony

    2009-02-06

    DNA topoisomerases control the topology of DNA (e.g., the level of supercoiling) in all cells. Type IIA topoisomerases are ATP-dependent enzymes that have been shown to simplify the topology of their DNA substrates to a level beyond that expected at equilibrium (i.e., more relaxed than the product of relaxation by ATP-independent enzymes, such as type I topoisomerases, or a lower-than-equilibrium level of catenation). The mechanism of this effect is currently unknown, although several models have been suggested. We have analyzed the DNA relaxation reactions of type II topoisomerases to further explore this phenomenon. We find that all type IIA topoisomerases tested exhibit the effect to a similar degree and that it is not dependent on the supercoil-sensing C-terminal domains of the enzymes. As recently reported, the type IIB topoisomerase, topoisomerase VI (which is only distantly related to type IIA enzymes), does not exhibit topology simplification. We find that topology simplification is not significantly dependent on circle size in the range approximately 2-9 kbp and is not altered by reducing the free energy available from ATP hydrolysis by varying the ADP:ATP ratio. A direct test of one model (DNA tracking; i.e., sliding of a protein clamp along DNA to trap supercoils) suggests that this is unlikely to be the explanation for the effect. We conclude that geometric selection of DNA segments by the enzymes is likely to be a primary source of the effect, but that it is possible that other kinetic factors contribute. We also speculate whether topology simplification might simply be an evolutionary relic, with no adaptive significance.

  6. How do type II topoisomerases use ATP hydrolysis to simplify DNA topology beyond equilibrium? Investigating the relaxation reaction of non-supercoiling type II topoisomerases

    PubMed Central

    Stuchinskaya, Tanya; Mitchenall, Lesley A.; Schoeffler, Allyn J.; Corbett, Kevin D.; Berger, James M.; Bates, Andrew D.; Maxwell, Anthony

    2015-01-01

    DNA topoisomerases control the topology of DNA (e.g. the level of supercoiling) in all cells. Type IIA topoisomerases are ATP-dependent enzymes that have been shown to simplify the topology of their DNA substrates to a level beyond that expected at equilibrium (i.e. more relaxed than the product of relaxation by ATP-independent enzymes, such as type I topoisomerases, or a lower than equilibrium level of catenation). The mechanism of this effect is currently unknown, although several models have been suggested. We have analysed the DNA relaxation reactions of type II topoisomerases to further explore this phenomenon. We find that all type IIA topoisomerases tested exhibit the effect to a similar degree and that it is not dependent on the C-terminal domains of the enzymes. As recently reported, the type IIB topoisomerase, topo VI (which is only distantly related to the type IIA enzymes), does not exhibit topology simplification. We find that topology simplification is not significantly dependent on circle size in the range ~2–9 kbp, and is not altered by reducing the free energy available from ATP hydrolysis by varying the ATP:ADP ratio. A direct test of one model (DNA tracking, i.e. sliding of a protein clamp along DNA to trap supercoils) suggests that this is unlikely to be the explanation for the effect. We conclude that geometric selection of DNA segments by the enzymes is likely to be a primary source of the effect but that it is possible that other factors contribute. We also speculate whether topology simplification might simply be an evolutionary relic, with no adaptive significance. PMID:19094994

  7. Characteristics of equilibrium, kinetics studies for adsorption of Hg(II), Cu(II), and Ni(II) ions by thiourea-modified magnetic chitosan microspheres.

    PubMed

    Zhou, Limin; Wang, Yiping; Liu, Zhirong; Huang, Qunwu

    2009-01-30

    Magnetic chitosan microspheres were prepared and chemically modified with thiourea (TMCS) for adsorption of metal ions. TMCS obtained were investigated by means of X-ray diffraction (XRD), IR, magnetic properties and thermogravimetric analysis (TGA). The adsorption properties of TMCS toward Hg(2+), Cu(2+), and Ni(2+) ions were evaluated. Various factors affecting the uptake behavior such as contact time, temperature, pH and initial concentration of the metal ions were investigated. The kinetics was evaluated utilizing the pseudo-first-order, pseudo-second-order, and the intra-particle diffusion models. The equilibrium data were analyzed using the Langmuir, Freundlich, and Tempkin isotherm models. The adsorption kinetics followed the mechanism of the pseudo-second-order equation for all systems studied, evidencing chemical sorption as the rate-limiting step of adsorption mechanism and not involving a mass transfer in solution. The best interpretation for the equilibrium data was given by Langmuir isotherm, and the maximum adsorption capacities were 625.2, 66.7, and 15.3mg/g for Hg(2+), Cu(2+), and Ni(2+) ions, respectively. TMCS displayed higher adsorption capacity for Hg(2+) in all pH ranges studied. The adsorption capacity of the metal ions decreased with increasing temperature. The metal ion-loaded TMCS with were regenerated with an efficiency of greater than 88% using 0.01-0.1M ethylendiamine tetraacetic acid (EDTA).

  8. CRIT II electric, magnetic, and density measurements within an ionizing neutral stream

    NASA Technical Reports Server (NTRS)

    Swenson, C. M.; Kelley, M. C.; Primdahl, F.; Baker, K. D.

    1990-01-01

    Measurements from rocket-borne sensors inside a high-velocity neutral barium beam show a-factor-of-six increase in plasma density in a moving ionizing front. This region was colocated with intense fluctuating electric fields at frequencies well under the lower hybrid frequency for a barium plasma. Large quasi-dc electric and magnetic field fluctuations were also detected with a large component of the current and the electric field parallel to B(0). An Alfven wave with a finite electric field component parallel to the geomagnetic field was observed to propagate along B(0), where it was detected by an instrumented subpayload.

  9. Temperature and pH dependence of the metarhodopsin I-metarhodopsin II equilibrium and the binding of metarhodopsin II to G protein in rod disk membranes.

    PubMed

    Parkes, J H; Gibson, S K; Liebman, P A

    1999-05-25

    The equilibria between metarhodopsins I and II (MI and MII) and the binding of MII to retinal G protein (G) were investigated, using the dual wavelength absorbance response of rod disk membrane (RDM) suspensions to a series of small bleaches, together with a nonlinear least-squares fitting procedure that decouples the two reactions. This method has been subjected to a variety of theoretical and experimental tests that establish its validity. The two equilibrium constants, the amount of active G protein (that can bind to and stabilize MII) and the fraction bleached by the flash, have been determined without a priori assumptions about these values, at temperatures between 0 and 15 degrees C and pHs from 6.2 to 8.2. Binding of G to MII in normal RDM exhibits 1:1 stoichiometry (not cooperative), relatively weak, 2-4 x 10(4) M-1 affinity on the membrane, with a pH dependence maximal at pH 7.6, and a low thermal coefficient. The reported amount of active G remained constant even when its binding constant was reduced more than 10-fold at low pH. The method can readily be applied to the binding of MII to other proteins or polypeptides that stabilize its conformation as MII. It appears capable of determining many of the essential physical constants of G protein coupled receptor interaction with immediate signaling partners and the effect of perturbation of environmental parameters on these constants.

  10. Kinetic theory of low-frequency cross-field instability in a weakly ionized plasma. II

    SciTech Connect

    Dimant, Y.S.; Sudan, R.N.

    1995-04-01

    The consistent kinetic approach developed in Paper I [Ya. S. Dimant and R. N. Sudan, Phys. Plasmas {bold 2}, 1157 (1995)] is applied to obtain the general dispersion relation of the two-stream {bold E}{times}{bold B} instability in collisionally dominated weakly ionized plasmas for wave frequencies small compared to the ion--neutral collision frequency. This dispersion relation covers the whole low-frequency band from the asymptotic short-wave limit studied in Paper I to the long-wave limit. Previous theories employing simplified kinetic theory or fluid equations for electron behavior are only correct in the long-wave limit. The principal new results are that the threshold conditions for this instability and the growth rates are altered from those predicted by earlier simplified theories. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  11. Observations of feedback from radio-quiet quasars - II. Kinematics of ionized gas nebulae

    NASA Astrophysics Data System (ADS)

    Liu, Guilin; Zakamska, Nadia L.; Greene, Jenny E.; Nesvadba, Nicole P. H.; Liu, Xin

    2013-12-01

    The prevalence and energetics of quasar feedback is a major unresolved problem in galaxy formation theory. In this paper, we present Gemini Integral Field Unit observations of ionized gas around 11 luminous, obscured, radio-quiet quasars at z ˜ 0.5 out to ˜15 kpc from the quasar; specifically, we measure the kinematics and morphology of [O III] λ5007 Å emission. The round morphologies of the nebulae and the large line-of-sight velocity widths (with velocities containing 80 per cent of the emission as high as 103 km s-1) combined with relatively small velocity difference across them (from 90 to 520 km s-1) point towards wide-angle quasi-spherical outflows. We use the observed velocity widths to estimate a median outflow velocity of 760 km s-1, similar to or above the escape velocities from the host galaxies. The line-of-sight velocity dispersion declines slightly towards outer parts of the nebulae (by 3 per cent kpc-1 on average). The majority of nebulae show blueshifted excesses in their line profiles across most of their extents, signifying gas outflows. For the median outflow velocity, we find dot{E}_kin between 4 × 1044 and 3 × 1045 erg s-1 and dot{M} between 2 × 103 and 2 × 104 M⊙ yr-1. These values are large enough for the observed quasar winds to have a significant impact on their host galaxies. The median rate of converting bolometric luminosity to kinetic energy of ionized gas clouds is ˜2 per cent. We report four new candidates for `superbubbles' - outflows that may have broken out of the denser regions of the host galaxy.

  12. Search for lightly ionizing particles using CDMS-II data and fabrication of CDMS detectors with improved homogeneity in properties

    SciTech Connect

    Prasad, Kunj Bihari

    2013-12-01

    Fundamental particles are always observed to carry charges which are integral multiples of one-third charge of electron, e/3. While this is a well established experimental fact, the theoretical understanding for the charge quantization phenomenon is lacking. On the other hand, there exist numerous theoretical models that naturally allow for existence of particles with fractional electromagnetic charge. These particles, if existing, hint towards existence of physics beyond the standard model. Multiple high energy, optical, cosmological and astrophysical considerations restrict the allowable mass-charge parameter space for these fractional charges. Still, a huge unexplored region remains. The Cryogenic Dark Matter Search (CDMS-II), located at Soudan mines in northern Minnesota, employs germanium and silicon crystals to perform direct searches for a leading candidate to dark matter called Weakly Interacting Massive Particles (WIMPs). Alternately, the low detection threshold allows search for fractional electromagnetic-charged particles, or Lightly Ionizing Particles (LIPs), moving at relativistic speed. Background rejection is obtained by requiring that the magnitude and location of energy deposited in each detector be consistent with corresponding \\signatures" resulting from the passage of a fractionally charged particle. In this dissertation, the CDMS-II data is analyzed to search for LIPs, with an expected background of 0.078 0.078 events. No candidate events are observed, allowing exclusion of new parameter space for charges between e/6 and e/200.

  13. Low frequency azimuthal stability of the ionization region of the Hall thruster discharge. II. Global analysis

    SciTech Connect

    Escobar, D.; Ahedo, E.

    2015-10-15

    The linear stability of the Hall thruster discharge is analysed against axial-azimuthal perturbations in the low frequency range using a time-dependent 2D code of the discharge. This azimuthal stability analysis is spatially global, as opposed to the more common local stability analyses, already afforded previously (D. Escobar and E. Ahedo, Phys. Plasmas 21(4), 043505 (2014)). The study covers both axial and axial-azimuthal oscillations, known as breathing mode and spoke, respectively. The influence on the spoke instability of different operation parameters such as discharge voltage, mass flow, and thruster size is assessed by means of different parametric variations and compared against experimental results. Additionally, simplified models are used to unveil and characterize the mechanisms driving the spoke. The results indicate that the spoke is linked to azimuthal oscillations of the ionization process and to the Bohm condition in the transition to the anode sheath. Finally, results obtained from local and global stability analyses are compared in order to explain the discrepancies between both methods.

  14. Flare heating and ionization of the low solar chromosphere. II - Observations of five solar flares

    NASA Technical Reports Server (NTRS)

    Metcalf, Thomas R.; Canfield, Richard C.; Saba, Julia L. R.

    1990-01-01

    Two neutral Mg spectral lines formed in the temperature-minimum region and the low chromosphere, at 4571 and 5173 A, are used to quantify the changes in the atmospheric structure as a function of time during five solar flares. Eight proposed flare heating and ionization mechanisms and predictions of the effects of each on the temperature minimum region are discussed. Two Mg spectral observations made at the National Solar Observatory (Sacramento Peak), along with observations of hard and soft X-rays from the SMM and GOES satellites, are compared to the predictions of the eight proposed mechanisms. The initial effects in all five flares are consistent with backwarming by enhanced Balmer- and Paschen-continuum radiation originating in the upper chromosphere. Extended heating observed in two of the flares is most likely due to UV irradiation. In all cases heating by the dissipation of nonreversed electric currents, collisions with an electron or proton beam, irradiation by soft X-rays, and dissipation of Alfven waves are eliminated.

  15. Hyperfine structure constants for singly ionized manganese (Mn II) using Fourier transform spectroscopy

    NASA Astrophysics Data System (ADS)

    Townley-Smith, Keeley; Nave, Gillian; Pickering, Juliet C.; Blackwell-Whitehead, Richard J.

    2016-09-01

    We expand on the comprehensive study of hyperfine structure (HFS) in Mn II conducted by Holt et al. (1999) by verifying hyperfine magnetic dipole constants (A) for 20 levels previously measured by Holt et al. (1999) and deriving A constants for 47 previously unstudied levels. The HFS patterns were measured in archival spectra from Fourier transform (FT) spectrometers at Imperial College London and the National Institute of Standards and Technology. Analysis of the FT spectra was carried out in XGREMLIN. Our A constant for the ground level has a lower uncertainty by a factor of 6 than that of Blackwell-Whitehead et al.

  16. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

    SciTech Connect

    Wu, Wei; Wang, Jin

    2014-09-14

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.

  17. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems.

    PubMed

    Wu, Wei; Wang, Jin

    2014-09-14

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.

  18. Clusters of DNA damage induced by ionizing radiation: formation of short DNA fragments. II. Experimental detection

    NASA Technical Reports Server (NTRS)

    Rydberg, B.; Chatterjee, A. (Principal Investigator)

    1996-01-01

    The basic 30-nm chromatin fiber in the mammalian cell consists of an unknown (possibly helical) arrangement of nucleosomes, with about 1.2 kb of DNA per 10-nm length of fiber. Track-structure considerations suggest that interactions of single delta rays or high-LET particles with the chromatin fiber might result in the formation of multiple lesions spread over a few kilobases of DNA (see the accompanying paper: W.R. Holley and A. Chatterjee, Radiat. Res. 145, 188-199, 1996). In particular, multiple DNA double-strand breaks and single-strand breaks may form. To test this experimentally, primary human fibroblasts were labeled with [3H]thymidine and exposed at 0 degrees C to X rays or accelerated nitrogen or iron ions in the LET range of 97-440 keV/microns. DNA was isolated inside agarose plugs and subjected to agarose gel electrophoresis under conditions that allowed good separation of 0.1-2 kb size DNA. The bulk of DNA remained in the well or migrated only a small distance into the gel. It was found that DNA fragments in the expected size range were formed linearly with dose with an efficiency that increased with LET. A comparison of the yield of such fragments with the yield of total DNA double-strand breaks suggests that for the high-LET ions a substantial proportion (20-90%) of DNA double-strand breaks are accompanied within 0.1-2 kb by at least one additional DNA double-strand break. It is shown that these results are in good agreement with theoretical calculations based on treating the 30-nm chromatin fiber as the target for ionizing particles. Theoretical considerations also predict that the clusters will contain numerous single-strand breaks and base damages. It is proposed that such clusters be designated "regionally multiply damaged sites." Postirradiation incubation at 37 degrees C resulted in a decline in the number of short DNA fragments, suggesting a repair activity. The biological significance of regionally multiply damaged sites is presently unknown.

  19. Clusters of DNA damage induced by ionizing radiation: Formation of short DNA fragments. II. Experimental detection

    SciTech Connect

    Rydberg, B.

    1996-02-01

    The basic 30-nm chromatin fiber in the mammalian cell consists of an unknown (possibly helical) arrangement of nucleosomes, with about 1.2 kb of DNA per 10-nm length of fiber. Track-structure considerations suggest that interactions of single {delta} rays or high-LET particles with the chromatin fiber might result in the formation of multiple lesions spread over a few kilobases of DNA. In particular, multiple DNA double-strand breaks and single-strand breaks may form. To test this experimentally, primary human fibroblasts were labeled with [{sup 3}H]thymidine and exposed at 0{degrees}C to X rays or accelerated nitrogen or iron ions in the LET range of 97-440 keV/pm. DNA was isolated inside agarose plugs and subjected to agarose gel electrophoresis under conditions that allowed good separation of 0.1-2 kb size DNA. The bulk of DNA remained in the well or migrated only a small distance into the gel. It was found that DNA fragments in the expected size range were formed linearly with dose with an efficiency that increased with LET. A comparison of the yield of such fragments with the yield of total DNA double-strand breaks suggests that for the high-LET ions a substantial proportion (20-90%) of DNA double-strand breaks are accompanied within 0.1-2 kb by at least one additional DNA double-strand break. It is shown that these results are in good agreement with theoretical calculations based on treating the 30-nm chromatin fiber as the target for ionizing particles. Theoretical considerations also predict that the clusters will contain numerous single-strand breaks and base damages. It is proposed that such clusters be designated {open_quotes}regionally multiply damaged sites.{close_quotes} Postirradiation incubation at 37{degrees}C resulted in a decline in the number of short DNA fragments, suggesting a repair activity. The biological significance of regionally multiply damaged sites is presently unknown. 34 refs., 6 figs., 1 tab.

  20. The interaction of catalytic metal ions and ionizing groups in equilibrium studies and in transient intermediates of metal-substituted alcohol dehydrogenases.

    PubMed

    Maret, W; Gerber, M; Zeppezauer, M; Dunn, M F

    1985-01-01

    The step of ternary complex interconversion in the reaction catalyzed by horse liver alcohol dehydrogenase has been resolved into five distinct molecular species with the aid of metal-substitution studies in combination with rapid-scanning spectrophotometry. A correlation with electronic absorption spectra at equilibrium provides structural insights into these intermediates. In contrast to NADH, NAD+ only leads to a conformational change of the protein when a negative charge has been created in the vicinity of the catalytic metal ion. This paper presents also a reevaluation of previous assignments of catalytically important groups in the light of some recent results.

  1. Ionizing stellar population in the disc of NGC 3310 - II. The Wolf-Rayet population

    NASA Astrophysics Data System (ADS)

    Miralles-Caballero, D.; Rosales-Ortega, F. F.; Díaz, A. I.; Otí-Floranes, H.; Pérez-Montero, E.; Sánchez, S. F.

    2014-12-01

    We use integral field spectroscopy to study in detail the Wolf-Rayet (WR) population in NGC 3310, spatially resolving 18 star-forming knots with typical sizes of 200-300 pc in the disc of the galaxy hosting a substantial population of WRs. The detected emission in the so-called blue bump is attributed mainly to late-type nitrogen WRs (WNL), ranging from a few dozens to several hundreds of stars per region. Our estimated WNL/(WNL+O) ratio is comparable to reported empirical relations once the extinction-corrected emission is further corrected by the presence of dust grains inside the nebula that absorb a non-negligible fraction of UV photons. Comparisons of observables with stellar population models show disagreement by factors larger than 2-3. However, if the effects of interacting binaries and/or photon leakage are taken into account, observations and predictions tend to converge. We estimate the binary fraction of the H II regions hosting WRs to be significant in order to recover the observed X-ray flux, hence proving that the binary channel can be critical when predicting observables. We also explore the connection of the environment with the current hypothesis that WRs can be progenitors to long-duration gamma-ray bursts (GRBs). Galaxy interactions, which can trigger strong episodes of star formation in the central regions, may be a plausible environment where WRs may act as progenitors of GRBs. Finally, even though the chemical abundance is generally homogeneous, we also find weak evidence for rapid N pollution by WR stellar winds at scales of ˜200 pc.

  2. Langmuir probe measurements in a time-fluctuating-highly ionized non-equilibrium cutting arc: Analysis of the electron retarding part of the time-averaged current-voltage characteristic of the probe

    SciTech Connect

    Prevosto, L.; Mancinelli, B.; Kelly, H.

    2013-12-15

    This work describes the application of Langmuir probe diagnostics to the measurement of the electron temperature in a time-fluctuating-highly ionized, non-equilibrium cutting arc. The electron retarding part of the time-averaged current-voltage characteristic of the probe was analysed, assuming that the standard exponential expression describing the electron current to the probe in collision-free plasmas can be applied under the investigated conditions. A procedure is described which allows the determination of the errors introduced in time-averaged probe data due to small-amplitude plasma fluctuations. It was found that the experimental points can be gathered into two well defined groups allowing defining two quite different averaged electron temperature values. In the low-current region the averaged characteristic was not significantly disturbed by the fluctuations and can reliably be used to obtain the actual value of the averaged electron temperature. In particular, an averaged electron temperature of 0.98 ± 0.07 eV (= 11400 ± 800 K) was found for the central core of the arc (30 A) at 3.5 mm downstream from the nozzle exit. This average included not only a time-average over the time fluctuations but also a spatial-average along the probe collecting length. The fitting of the high-current region of the characteristic using such electron temperature value together with the corrections given by the fluctuation analysis showed a relevant departure of local thermal equilibrium in the arc core.

  3. Langmuir probe measurements in a time-fluctuating-highly ionized non-equilibrium cutting arc: analysis of the electron retarding part of the time-averaged current-voltage characteristic of the probe.

    PubMed

    Prevosto, L; Kelly, H; Mancinelli, B

    2013-12-01

    This work describes the application of Langmuir probe diagnostics to the measurement of the electron temperature in a time-fluctuating-highly ionized, non-equilibrium cutting arc. The electron retarding part of the time-averaged current-voltage characteristic of the probe was analysed, assuming that the standard exponential expression describing the electron current to the probe in collision-free plasmas can be applied under the investigated conditions. A procedure is described which allows the determination of the errors introduced in time-averaged probe data due to small-amplitude plasma fluctuations. It was found that the experimental points can be gathered into two well defined groups allowing defining two quite different averaged electron temperature values. In the low-current region the averaged characteristic was not significantly disturbed by the fluctuations and can reliably be used to obtain the actual value of the averaged electron temperature. In particular, an averaged electron temperature of 0.98 ± 0.07 eV (= 11400 ± 800 K) was found for the central core of the arc (30 A) at 3.5 mm downstream from the nozzle exit. This average included not only a time-average over the time fluctuations but also a spatial-average along the probe collecting length. The fitting of the high-current region of the characteristic using such electron temperature value together with the corrections given by the fluctuation analysis showed a relevant departure of local thermal equilibrium in the arc core.

  4. Removal of Pb(II) ions from aqueous solution by a waste mud from copper mine industry: equilibrium, kinetic and thermodynamic study.

    PubMed

    Ozdes, Duygu; Gundogdu, Ali; Kemer, Baris; Duran, Celal; Senturk, Hasan Basri; Soylak, Mustafa

    2009-07-30

    The objective of this study was to assess the adsorption potential of a waste mud (WM) for the removal of lead (Pb(II)) ions from aqueous solutions. The WM was activated with NaOH in order to increase its adsorption capacity. Adsorption studies were conducted in a batch system as a function of solution pH, contact time, initial Pb(II) concentration, activated-waste mud (a-WM) concentration, temperature, etc. Optimum pH was specified as 4.0. The adsorption kinetic studies indicated that the overall adsorption process was best described by pseudo-second-order kinetics. The equilibrium adsorption capacity of a-WM was obtained by using Langmuir and Freundlich isotherm models and both models fitted well. Adsorption capacity for Pb(II) was found to be 24.4 mg g(-1) for 10 g L(-1) of a-WM concentration. Thermodynamic parameters including the Gibbs free energy (Delta G degrees), enthalpy (Delta H degrees), and entropy (DeltaS degrees) indicated that the adsorption of Pb(II) ions on the a-WM was feasible, spontaneous and endothermic, at temperature range of 0-40 degrees C. Desorption studies were carried out successfully with diluted HCl solutions. The results indicate that a-WM can be used as an effective and no-cost adsorbent for the treatment of industrial wastewaters contaminated with Pb(II) ions.

  5. Detailed and simplified nonequilibrium helium ionization in the solar atmosphere

    SciTech Connect

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit E-mail: mats.carlsson@astro.uio.no

    2014-03-20

    Helium ionization plays an important role in the energy balance of the upper chromosphere and transition region. Helium spectral lines are also often used as diagnostics of these regions. We carry out one-dimensional radiation-hydrodynamics simulations of the solar atmosphere and find that the helium ionization is set mostly by photoionization and direct collisional ionization, counteracted by radiative recombination cascades. By introducing an additional recombination rate mimicking the recombination cascades, we construct a simplified three-level helium model atom consisting of only the ground states. This model atom is suitable for modeling nonequilibrium helium ionization in three-dimensional numerical models. We perform a brief investigation of the formation of the He I 10830 and He II 304 spectral lines. Both lines show nonequilibrium features that are not recovered with statistical equilibrium models, and caution should therefore be exercised when such models are used as a basis for interpretating observations.

  6. Statistical investigation of simulated intestinal fluid composition on the equilibrium solubility of biopharmaceutics classification system class II drugs.

    PubMed

    Khadra, Ibrahim; Zhou, Zhou; Dunn, Claire; Wilson, Clive G; Halbert, Gavin

    2015-01-25

    A drug's solubility and dissolution behaviour within the gastrointestinal tract is a key property for successful administration by the oral route and one of the key factors in the biopharmaceutics classification system. This property can be determined by investigating drug solubility in human intestinal fluid (HIF) but this is difficult to obtain and highly variable, which has led to the development of multiple simulated intestinal fluid (SIF) recipes. Using a statistical design of experiment (DoE) technique this paper has investigated the effects and interactions on equilibrium drug solubility of seven typical SIF components (sodium taurocholate, lecithin, sodium phosphate, sodium chloride, pH, pancreatin and sodium oleate) within concentration ranges relevant to human intestinal fluid values. A range of poorly soluble drugs with acidic (naproxen, indomethacin, phenytoin, and piroxicam), basic (aprepitant, carvedilol, zafirlukast, tadalafil) or neutral (fenofibrate, griseofulvin, felodipine and probucol) properties have been investigated. The equilibrium solubility results determined are comparable with literature studies of the drugs in either HIF or SIF indicating that the DoE is operating in the correct space. With the exception of pancreatin, all of the factors individually had a statistically significant influence on equilibrium solubility with variations in magnitude of effect between the acidic and basic or neutral compounds and drug specific interactions were evident. Interestingly for the neutral compounds pH was the factor with the second largest solubility effect. Around one third of all the possible factor combinations showed a significant influence on equilibrium solubility with variations in interaction significance and magnitude of effect between the acidic and basic or neutral compounds. The least number of significant media component interactions were noted for the acidic compounds with three and the greatest for the neutral compounds at seven

  7. Amine-based extraction recovery of Cu(II) from aqueous solutions in the presence of EDTA. Equilibrium studies

    SciTech Connect

    Juang, R.S.; Chen, Y.J.; Huang, I.P.

    1999-11-01

    The distribution ratios of Cu(II) between kerosene solutions of Aliquat 336 and water containing EDTA (ethylenediaminetetraacetic acid) are measured. Experiments were performed as a function of the pH, the concentration of Cu(II), the concentration ratio of EDTA to Cu(II), and the concentration of amine. It is shown that the distribution ratios first increase with pH and then decrease with further increase in pH up to 7.0. The effect of temperature on the extraction was studied, and the enthalpy of the extraction reaction was determined. Finally, the nonideal behavior of the organic phase is discussed.

  8. Kinetic, Equilibrium and thermodynamic studies on the biosorption of Cd(II) from aqueous solutions by the leaf biomass of Calotropis procera - 'Sodom apple'

    NASA Astrophysics Data System (ADS)

    Chukwudumebi Overah, Loretta; Babalola, Oyebamiji.; Babarinde, Adesola; Oninla, Vincent; Olatunde, Abimbola

    2013-04-01

    The kinetics, equilibrium and thermodynamics of the biosorption of Cd (II) from aqueous solution by the leaf biomass of Calotropis procera popularly known in western Nigeria as 'bom bom' and generally known as Sodom apple were investigated at different experimental conditions. Optimum conditions of pH,contact time, biomass dosage, initial metal ion concentration and temperature were determined to be 5, 60 minutes, 110 mg, 0.3 mM and 27°C respectively. The maximum biosorption capacity was found to be 8.91 mg/g. The kinetic studies indicated that the biosorption process of the metal ion followed the pseudo-second-order and intra-particle diffusion models with an R-square value of 0.998 and 0.985 respectively. Equilibrium studies showed that the biosorption of Cd (II) is well represented by both Freundlich and Langmuir isotherms but the Langmuir model gave a better fit with an R-square value of 0.979,Langmuir constant, bm of 0.0080 and monolayer adsorption capacity, μm of 123.46. The calculated thermodynamic parameters (ΔG° -4.846 kJmol-1, ΔH° 10.60 kJmol-1 and ΔS° 0.052 kJK-1mol-1) showed that the biosorption of Cd (II)is feasible, spontaneous, endothermic and highly disordered in nature under the experimental conditions. Thesefindings indicate that the leaf of Calotropis procera could be employed in the removal of Cd (II) from industrial effluents. Key words: Calotropis procera, Cadmium, Adsorption isotherm.

  9. Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo. II. Supramolecular diblock copolymers

    NASA Astrophysics Data System (ADS)

    Lísal, Martin; Brennan, John K.; Smith, William R.

    2009-03-01

    We present an alternative formulation of the reaction ensemble dissipative particle dynamics (RxDPD) method [M. Lísal, J. K. Brennan, and W. R. Smith, J. Chem. Phys. 125, 16490 (2006)], a mesoscale simulation technique for studying polymer systems in reaction equilibrium. The RxDPD method combines elements of dissipative particle dynamics (DPD) and reaction ensemble Monte Carlo (RxMC), and is primarily targeted for the prediction of the system composition, thermodynamic properties, and phase behavior of reaction equilibrium polymer systems. The alternative formulation of the RxDPD method is demonstrated by considering a supramolecular diblock copolymer (SDC) melt in which two homopolymers, An and Bm, can reversibly bond at terminal binding sites to form a diblock copolymer, AnBm. We consider the effect of the terminal binding sites and the chemical incompatibility between A- and B-segments on the phase behavior. Both effects are found to strongly influence the resulting phase behavior. Due to the reversible nature of the binding, the SDC melt can be treated as the reaction equilibrium system An+Bm⇌AnBm. To simulate the An+Bm⇌AnBm melt, the system contains, in addition to full An, Bm, and AnBm polymers, two fractional polymers: one fractional polymer either fAn or fBm, and one fractional polymer fAnBm, which have fractional particles at the ends of the polymer chains. These fractional particles are coupled to the system via a coupling parameter. The time evolution of the system is governed by the DPD equations of motion, accompanied by random changes in the coupling parameter. Random changes in the coupling parameter mimic forward and reverse reaction steps as in the RxMC approach, and they are accepted with a probability derived from the expanded ensemble grand canonical partition function. Unlike the original RxDPD method that considers coupling of entire fractional polymers to the system, the expanded ensemble framework allows a stepwise coupling, thus

  10. Spectrophotometric determination of reaction stoichiometry and equilibrium constants of metallochromic indicators. II. The Ca2+-arsenazo III complexes.

    PubMed

    Dorogi, P L; Neumann, E

    1981-04-01

    The analytical method described in the preceding article was applied to spectrophotometric Ca2+-titrations of the metallochromic indicator arsenazo III (Ar). At various reactant concentrations it was determined that Ar forms 1:1,1:2 and 2 : 1 complexes with calcium. The equilibrium constants and extinction coefficients at 602 nm were determined. Corrected to zero ionic strength at 293 K and pH 7.0, the reactions Ca + Ar = CaAr, CaAr + Ar = CaAr2 and CaAr + Ca = Ca2Ar are associated with dissociation equilibrium constants k(11) = 1.6 x 10(-6)M, K12 = 3.2 x 10(-4)M and K21 = 5.8 x 10(-3)M. respectively. The extinction coefficient of unbound indicator is (602) = 9.6 (+/-0.3) x 10(3) cm(-1) M(-1). Arscnazo III complexes with monovalent ions like Na+ and K+ : at zero ionic strength, the dissociation constant of the Na+-Ar complex is about 0.1 M.

  11. IONIZED GAS KINEMATICS AT HIGH RESOLUTION. V. [Ne ii], MULTIPLE CLUSTERS, HIGH EFFICIENCY STAR FORMATION, AND BLUE FLOWS IN HE 2–10

    SciTech Connect

    Beck, Sara; Turner, Jean; Lacy, John; Greathouse, Thomas

    2015-11-20

    We measured the 12.8 μm [Ne ii] line in the dwarf starburst galaxy He 2–10 with the high-resolution spectrometer TEXES on the NASA IRTF. The data cube has a diffraction-limited spatial resolution of ∼1″ and a total velocity resolution, including thermal broadening, of ∼5 km s{sup −1}. This makes it possible to compare the kinematics of individual star-forming clumps and molecular clouds in the three dimensions of space and velocity, and allows us to determine star formation efficiencies. The kinematics of the ionized gas confirm that the starburst contains multiple dense clusters. From the M/R of the clusters and the ≃30%–40% star formation efficiencies, the clusters are likely to be bound and long lived, like globulars. Non-gravitational features in the line profiles show how the ionized gas flows through the ambient molecular material, as well as a narrow velocity feature, which we identify with the interface of the H ii region and a cold dense clump. These data offer an unprecedented view of the interaction of embedded H ii regions with their environment.

  12. Monte Carlo approach to calculate ionization dynamics of hot solid-density plasmas within particle-in-cell simulations.

    PubMed

    Wu, D; He, X T; Yu, W; Fritzsche, S

    2017-02-01

    A physical model based on a Monte Carlo approach is proposed to calculate the ionization dynamics of hot-solid-density plasmas within particle-in-cell (PIC) simulations, and where the impact (collision) ionization (CI), electron-ion recombination (RE), and ionization potential depression (IPD) by surrounding plasmas are taken into consideration self-consistently. When compared with other models, which are applied in the literature for plasmas near thermal equilibrium, the temporal relaxation of ionization dynamics can also be simulated by the proposed model. Besides, this model is general and can be applied for both single elements and alloys with quite different compositions. The proposed model is implemented into a PIC code, with (final) ionization equilibriums sustained by competitions between CI and its inverse process (i.e., RE). Comparisons between the full model and model without IPD or RE are performed. Our results indicate that for bulk aluminium at temperature of 1 to 1000 eV, (i) the averaged ionization degree increases by including IPD; while (ii) the averaged ionization degree is significantly over estimated when the RE is neglected. A direct comparison from the PIC code is made with the existing models for the dependence of averaged ionization degree on thermal equilibrium temperatures and shows good agreements with that generated from Saha-Boltzmann model and/or FLYCHK code.

  13. Monte Carlo approach to calculate ionization dynamics of hot solid-density plasmas within particle-in-cell simulations

    NASA Astrophysics Data System (ADS)

    Wu, D.; He, X. T.; Yu, W.; Fritzsche, S.

    2017-02-01

    A physical model based on a Monte Carlo approach is proposed to calculate the ionization dynamics of hot-solid-density plasmas within particle-in-cell (PIC) simulations, and where the impact (collision) ionization (CI), electron-ion recombination (RE), and ionization potential depression (IPD) by surrounding plasmas are taken into consideration self-consistently. When compared with other models, which are applied in the literature for plasmas near thermal equilibrium, the temporal relaxation of ionization dynamics can also be simulated by the proposed model. Besides, this model is general and can be applied for both single elements and alloys with quite different compositions. The proposed model is implemented into a PIC code, with (final) ionization equilibriums sustained by competitions between CI and its inverse process (i.e., RE). Comparisons between the full model and model without IPD or RE are performed. Our results indicate that for bulk aluminium at temperature of 1 to 1000 eV, (i) the averaged ionization degree increases by including IPD; while (ii) the averaged ionization degree is significantly over estimated when the RE is neglected. A direct comparison from the PIC code is made with the existing models for the dependence of averaged ionization degree on thermal equilibrium temperatures and shows good agreements with that generated from Saha-Boltzmann model and/or FLYCHK code.

  14. Ionization in nearby interstellar gas

    NASA Technical Reports Server (NTRS)

    Frisch, P. C.; Welty, D. E.; York, D. G.; Fowler, J. R.

    1990-01-01

    Due to dielectric recombination, neutral magnesium represents an important tracer for the warm low-density gas around the solar system. New Mg I 2852 absorption-line data from IUE are presented, including detections in a few stars within 40 pc of the sun. The absence of detectable Mg I in Alpha CMa and other stars sets limits on the combined size and electron density of the interstellar cloud which gives rise to the local interstellar wind. For a cloud radius greater than 1 pc and density of 0.1/cu cm, the local cloud has a low fractional ionization, n(e)/n(tot) less than 0.05, if magnesium is undepleted, equilibrium conditions prevail, the cloud temperature is 11,750 K, and 80 percent of the magnesium in the sightline is Mg II.

  15. Synthesis, characterization, biological activity and equilibrium studies of metal(II) ion complexes with tridentate hydrazone ligand derived from hydralazine

    NASA Astrophysics Data System (ADS)

    El-Sherif, Ahmed A.; Shoukry, Mohamed M.; Abd-Elgawad, Mohamed M. A.

    2012-12-01

    In the present study, a new hydrazone ligand (2-((2-phthalazin-1-yl)hydrazono)methyl)phenol) prepared by condensation of hydralazine (1-Hydralazinophthalazine) with salicylaldehyde (SAH). The synthesized SAH-hydrazone and its metal complexes have been characterized by elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance, mass spectra, UV-vis and thermal analysis (TGA). The analytical data of the complexes show the formation of 1:1 [M:L] ratio, where M represents Ni(II), Co(II) and Cu(II) ions, while L represents the deprotonated hydrazone ligand. IR spectra show that SAH is coordinated to the metal ions in a tridentate manner through phthalazine-N, azomethine-N and phenolic-oxygen groups. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. Proton-ligand association constants of (SAH) and the stepwise stability constants of its metal complexes are determined potentiometrically in 0.1 M NaNO3 at different temperatures and the corresponding thermodynamic parameters were derived and discussed. The order of -ΔG° and -ΔH° were found to obey Mn2+ < Co2+ < Ni2+ < Cu2+, in accordance with the Irving-Williams order. The complexes were stabilized by enthalpy changes and the results suggest that the complexation is an enthalpy-driven process. The concentration distribution diagrams of the complexes are evaluated.

  16. Multi-fluid Approach to High-frequency Waves in Plasmas. II. Small-amplitude Regime in Partially Ionized Media

    NASA Astrophysics Data System (ADS)

    Martínez-Gómez, David; Soler, Roberto; Terradas, Jaume

    2017-03-01

    The presence of neutral species in a plasma has been shown to greatly affect the properties of magnetohydrodynamic waves. For instance, the interaction between ions and neutrals through momentum transfer collisions causes the damping of Alfvén waves and alters their oscillation frequency and phase speed. When the collision frequencies are larger than the frequency of the waves, single-fluid magnetohydrodynamic approximations can accurately describe the effects of partial ionization, since there is a strong coupling between the various species. However, at higher frequencies, the single-fluid models are not applicable and more complex approaches are required. Here, we use a five-fluid model with three ionized and two neutral components, which takes into consideration Hall’s current and Ohm’s diffusion in addition to the friction due to collisions between different species. We apply our model to plasmas composed of hydrogen and helium, and allow the ionization degree to be arbitrary. By analyzing the corresponding dispersion relation and numerical simulations, we study the properties of small-amplitude perturbations. We discuss the effect of momentum transfer collisions on the ion-cyclotron resonances and compare the importance of magnetic resistivity, and ion–neutral and ion–ion collisions on the wave damping at various frequency ranges. Applications to partially ionized plasmas of the solar atmosphere are performed.

  17. Rapid assessment of human amylin aggregation and its inhibition by copper(II) ions by laser ablation electrospray ionization mass spectrometry with ion mobility separation

    SciTech Connect

    Li, Hang; Ha, Emmeline; Donaldson, Robert P.; Jeremic, Aleksandar M.; Vertes, Akos

    2015-09-09

    Native electrospray ionization (ESI) mass spectrometry (MS) is often used to monitor noncovalent complex formation between peptides and ligands. The relatively low throughput of this technique, however, is not compatible with extensive screening. Laser ablation electrospray ionization (LAESI) MS combined with ion mobility separation (IMS) can analyze complex formation and provide conformation information within a matter of seconds. Islet amyloid polypeptide (IAPP) or amylin, a 37-amino acid residue peptide, is produced in pancreatic beta-cells through proteolytic cleavage of its prohormone. Both amylin and its precursor can aggregate and produce toxic oligomers and fibrils leading to cell death in the pancreas that can eventually contribute to the development of type 2 diabetes mellitus. The inhibitory effect of the copper(II) ion on amylin aggregation has been recently discovered, but details of the interaction remain unknown. Finding other more physiologically tolerated approaches requires large scale screening of potential inhibitors. In this paper, we demonstrate that LAESI-IMS-MS can reveal the binding stoichiometry, copper oxidation state, and the dissociation constant of human amylin–copper(II) complex. The conformations of hIAPP in the presence of copper(II) ions were also analyzed by IMS, and preferential association between the β-hairpin amylin monomer and the metal ion was found. The copper(II) ion exhibited strong association with the —HSSNN– residues of the amylin. In the absence of copper(II), amylin dimers were detected with collision cross sections consistent with monomers of β-hairpin conformation. When copper(II) was present in the solution, no dimers were detected. Thus, the copper(II) ions disrupt the association pathway to the formation of β-sheet rich amylin fibrils. Using LAESI-IMS-MS for the assessment of amylin–copper(II) interactions demonstrates the utility of this technique for the high-throughput screening of potential

  18. Rapid assessment of human amylin aggregation and its inhibition by copper(II) ions by laser ablation electrospray ionization mass spectrometry with ion mobility separation

    DOE PAGES

    Li, Hang; Ha, Emmeline; Donaldson, Robert P.; ...

    2015-09-09

    Native electrospray ionization (ESI) mass spectrometry (MS) is often used to monitor noncovalent complex formation between peptides and ligands. The relatively low throughput of this technique, however, is not compatible with extensive screening. Laser ablation electrospray ionization (LAESI) MS combined with ion mobility separation (IMS) can analyze complex formation and provide conformation information within a matter of seconds. Islet amyloid polypeptide (IAPP) or amylin, a 37-amino acid residue peptide, is produced in pancreatic beta-cells through proteolytic cleavage of its prohormone. Both amylin and its precursor can aggregate and produce toxic oligomers and fibrils leading to cell death in the pancreasmore » that can eventually contribute to the development of type 2 diabetes mellitus. The inhibitory effect of the copper(II) ion on amylin aggregation has been recently discovered, but details of the interaction remain unknown. Finding other more physiologically tolerated approaches requires large scale screening of potential inhibitors. In this paper, we demonstrate that LAESI-IMS-MS can reveal the binding stoichiometry, copper oxidation state, and the dissociation constant of human amylin–copper(II) complex. The conformations of hIAPP in the presence of copper(II) ions were also analyzed by IMS, and preferential association between the β-hairpin amylin monomer and the metal ion was found. The copper(II) ion exhibited strong association with the —HSSNN– residues of the amylin. In the absence of copper(II), amylin dimers were detected with collision cross sections consistent with monomers of β-hairpin conformation. When copper(II) was present in the solution, no dimers were detected. Thus, the copper(II) ions disrupt the association pathway to the formation of β-sheet rich amylin fibrils. Using LAESI-IMS-MS for the assessment of amylin–copper(II) interactions demonstrates the utility of this technique for the high-throughput screening of

  19. Refining thermodynamic constants for mercury(II)-sulfides in equilibrium with metacinnabar at sub-micromolar aqueous sulfide concentrations.

    PubMed

    Drott, A; Björn, E; Bouchet, S; Skyllberg, U

    2013-05-07

    An important issue in mercury (Hg) biogeochemistry is to explore the influence of aqueous Hg(II) forms on bacterial uptake, and subsequent methyl mercury formation, under iron(III) and sulfate reducing conditions. The success of this is dependent on relevant information on the thermodynamic stability of Hg-sulfides. In the present study, we determined the solubility of a commercially available HgS(s) phase, which was shown by X-ray diffraction to be a mixture of 83% metacinnabar and 17% cinnabar. At aqueous sulfide concentrations between 0.060 and 84 μM, well below levels in previous studies, we report a solubility product (log Ksp ± SE) of -36.8 ± 0.1 (HgS(s) + H(+) = Hg(2+) + HS(-), I = 0, T = 25 °C, pH 6-10, n = 20) for metacinnabar. This value is 0.7 log units higher than previous estimates. Complementing our data with data from Paquette and Helz (1997), we took advantage of a large data set (n = 65) covering a wide range of aqueous sulfide (0.06 μM-140 mM) and pH (1-11). On the basis of this, we report refined formation constants (±SE) for the three aqueous Hg(II)-sulfide species proposed by Schwarzenbach and Widmer (1963): Hg(2+) + 2HS(-) = Hg(SH)2(0); log K = 39.1 ± 0.1, Hg(2+) + 2HS(-) = HgS2H(-) + H(+); log K = 32.5 ± 0.1, Hg(2+) + 2HS(-) = HgS2(2-) + 2H(+); log K = 23.2 ± 0.1. Our refined log K values differ from previous estimates by 0.2-0.6 log units. Furthermore, at the low sulfide concentrations in our study we could rule out the value of -10.0 for the reaction HgS(s) + H2O = HgOHSH(aq) as reported by Dyrssén and Wedborg (1991). By establishing a solubility product for the most environmentally relevant HgS(s) phase, metacinnabar, and extending the range of aqueous sulfide concentrations to sub-micromolar levels, relevant for soils, sediments, and waters, this study decreases the uncertainty in stability constants for Hg-sulfides, thereby improving the basis for understanding the bioavailability and mobility of Hg(II) in the environment.

  20. A quantitative description of equilibrium and homeostatic thickness regulation in the in vivo cornea. II. Variations from the normal state.

    PubMed

    Friedman, M H

    1972-06-01

    The description of corneal mechanics and transport developed in part I and used there to describe normal corneal behavior is here applied to corneas whose properties or boundary conditions are abnormal. The predicted effects of changing intraocular pressure, aqueous concentration, and tear tonicity are examined, and these compare favorably with available experimental data. The periodic variation in tear tonicity which accompanies the sleep-wake cycle prevents the cornea from achieving a true steady state, but a time-average steady state, about which corneal behavior oscillates, can be defined. The in vivo effects of endothelial dystrophy and epithelial removal are explained, and it is suggested that the epithelial sodium pump may act homeostatically to maintain corneal thickness in the face of ambient temperature variations. Part II concludes with a discussion, from the standpoint of the present theory, of the role of metabolically coupled water transport in the maintenance of the normal corneal thickness.

  1. Synthesis, characterization and equilibrium studies of some potential antimicrobial and antitumor complexes of Cu(II), Ni(II), Zn(II) and Cd(II) ions involving 2-aminomethylbenzimidazole and glycine

    NASA Astrophysics Data System (ADS)

    Aljahdali, M.

    2013-08-01

    The ternary complexes of Cu(II), Zn(II), Ni(II) and Cd(II) with 2-aminomethylbenzimidazole (AMBI) and glycine as a representative example of amino acids have been isolated and characterized by elemental analyses, IR, ESR, UV-vis, magnetic moment, molar conductance and 1H NMR spectra. AMBI behaves as neutral bidentate ligands with coordination through imidazole and amino group nitrogens while the glycine amino acid behaves as a monodenate anion with coordination involving the amino group and carboxylate oxygen after deprotonation. The magnetic and spectral data indicates a square planar geometry for both Cu2+ and Ni2+ complexes and a tetrahedral geometry for both Zn2+ and Cd2+ complexes. The isolated chelates have been screened for their antifungal and antibacterial activities using the disc diffusion method. A cytotoxicity of the compounds against colon (HCT116) and larynx (HEP2) cancer cells have been studied. The stability constants of ternary M-AMBI-Gly complexes were determined potentiometrically in aqueous solution at I = 0.1 mol dm-3 NaCl.

  2. A SPITZER SURVEY OF MID-INFRARED MOLECULAR EMISSION FROM PROTOPLANETARY DISKS. II. CORRELATIONS AND LOCAL THERMAL EQUILIBRIUM MODELS

    SciTech Connect

    Salyk, C.; Pontoppidan, K. M.; Blake, G. A.; Najita, J. R.; Carr, J. S.

    2011-04-20

    We present an analysis of Spitzer Infrared Spectrograph observations of H{sub 2}O, OH, HCN, C{sub 2}H{sub 2}, and CO{sub 2} emission, and Keck-NIRSPEC observations of CO emission, from a diverse sample of T Tauri and Herbig Ae/Be circumstellar disks. We find that detections and strengths of most mid-IR molecular emission features are correlated with each other, suggesting a common origin and similar excitation conditions for this mid-infrared line forest. Aside from the remarkable differences in molecular line strengths between T Tauri, Herbig Ae/Be, and transitional disks discussed in Pontoppidan et al., we note that the line detection efficiency is anti-correlated with the 13/30 {mu}m spectral slope, which is a measure of the degree of grain settling in the disk atmosphere. We also note a correlation between detection efficiency and H{alpha} equivalent width, and tentatively with accretion rate, suggesting that accretional heating contributes to line excitation. If detected, H{sub 2}O line fluxes are correlated with the mid-IR continuum flux, and other co-varying system parameters, such as L{sub *}. However, significant sample variation, especially in molecular line ratios, remains, and its origin has yet to be explained. Local thermal equilibrium (LTE) models of the H{sub 2}O emission show that line strength is primarily related to the best-fit emitting area, and this accounts for most source-to-source variation in H{sub 2}O emitted flux. Best-fit temperatures and column densities cover only a small range of parameter space, near {approx}10{sup 18} cm{sup -2} and 450 K for all sources, suggesting a high abundance of H{sub 2}O in many planet-forming regions. Other molecules have a range of excitation temperatures from {approx}500to1500 K, also consistent with an origin in planet-forming regions. We find molecular ratios relative to water of {approx}10{sup -3} for all molecules, with the exception of CO, for which n(CO)/n(H{sub 2}O) {approx} 1. However, LTE

  3. Partition Equilibrium

    NASA Astrophysics Data System (ADS)

    Feldman, Michal; Tennenholtz, Moshe

    We introduce partition equilibrium and study its existence in resource selection games (RSG). In partition equilibrium the agents are partitioned into coalitions, and only deviations by the prescribed coalitions are considered. This is in difference to the classical concept of strong equilibrium according to which any subset of the agents may deviate. In resource selection games, each agent selects a resource from a set of resources, and its payoff is an increasing (or non-decreasing) function of the number of agents selecting its resource. While it has been shown that strong equilibrium exists in resource selection games, these games do not possess super-strong equilibrium, in which a fruitful deviation benefits at least one deviator without hurting any other deviator, even in the case of two identical resources with increasing cost functions. Similarly, strong equilibrium does not exist for that restricted two identical resources setting when the game is played repeatedly. We prove that for any given partition there exists a super-strong equilibrium for resource selection games of identical resources with increasing cost functions; we also show similar existence results for a variety of other classes of resource selection games. For the case of repeated games we identify partitions that guarantee the existence of strong equilibrium. Together, our work introduces a natural concept, which turns out to lead to positive and applicable results in one of the basic domains studied in the literature.

  4. Effect of electronic excitation on high-temperature flows of ionized nitrogen and oxygen mixtures behind strong shock waves

    NASA Astrophysics Data System (ADS)

    Istomin, V. A.; Kustova, E. V.

    2016-11-01

    Strongly non-equilibrium flows of reacting five-component ionized mixtures of nitrogen (N2/N2+/N /N+/e-) and oxygen (O2/O2+/O /O+/e-) behind the plane shock wave are studied taking into account electronic degrees of freedom of both neutral and ionized species. The kinetic scheme includes non-equilibrium reactions of ionization, dissociation, recombination and charge-transfer. Two test cases corresponding to the spacecraft re-entry (Hermes and Fire II experiments) are considered; fluid-dynamic variables, transport coefficients and heat flux are calculated, and different contribution to the heat flux are analyzed. The effect of electronic excitation on the heat transfer is governed by the competition of diffusion and heat conduction; it becomes weak if diffusive processes prevail. An important role of thermal diffusion in ionized flows is emphasized. The influence of dissociation rates on the heat flux is assessed.

  5. Indirect dark matter signatures in the cosmic dark ages. II. Ionization, heating, and photon production from arbitrary energy injections

    NASA Astrophysics Data System (ADS)

    Slatyer, Tracy R.

    2016-01-01

    Any injection of electromagnetically interacting particles during the cosmic dark ages will lead to increased ionization, heating, production of Lyman-α photons and distortions to the energy spectrum of the cosmic microwave background, with potentially observable consequences. In this paper we describe numerical results for the low-energy electrons and photons produced by the cooling of particles injected at energies from keV to multi-TeV scales, at arbitrary injection redshifts (but focusing on the post-recombination epoch). We use these data, combined with existing calculations modeling the cooling of these low-energy particles, to estimate the resulting contributions to ionization, excitation and heating of the gas, and production of low-energy photons below the threshold for excitation and ionization. We compute corrected deposition-efficiency curves for annihilating dark matter, and demonstrate how to compute equivalent curves for arbitrary energy-injection histories. These calculations provide the necessary inputs for the limits on dark matter annihilation presented in the accompanying paper I, but also have potential applications in the context of dark matter decay or deexcitation, decay of other metastable species, or similar energy injections from new physics. We make our full results publicly available at http://nebel.rc.fas.harvard.edu/epsilon, to facilitate further independent studies. In particular, we provide the full low-energy electron and photon spectra, to allow matching onto more detailed codes that describe the cooling of such particles at low energies.

  6. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

    PubMed

    Isobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi

    2016-01-19

    We have performed hybrid density functional theory (DFT) calculations to investigate how chemical equilibria can be described in the S3 state of the oxygen-evolving complex in photosystem II. For a chosen 340-atom model, 1 stable and 11 metastable intermediates have been identified within the range of 13 kcal mol(-1) that differ in protonation, charge, spin, and conformational states. The results imply that reversible interconversion of these intermediates gives rise to dynamic equilibria that involve processes with relocations of protons and electrons residing in the Mn4CaO5 cluster, as well as bound water ligands, with concomitant large changes in the cluster geometry. Such proton tautomerism and redox isomerism are responsible for reversible activation/deactivation processes of substrate oxygen species, through which Mn-O and O-O bonds are transiently ruptured and formed. These results may allow for a tentative interpretation of kinetic data on substrate water exchange on the order of seconds at room temperature, as measured by time-resolved mass spectrometry. The reliability of the hybrid DFT method for the multielectron redox reaction in such an intricate system is also addressed.

  7. Copper(II) complexes of quinoline polyazamacrocyclic scorpiand-type ligands: X-ray, equilibrium and kinetic studies.

    PubMed

    Castillo, Carmen E; Angeles Máñez, M; Basallote, Manuel G; Paz Clares, M; Blasco, Salvador; García-España, Enrique

    2012-05-14

    The formation of Cu(II) complexes with two isomeric quinoline-containing scorpiand-type ligands has been studied. The ligands have a tetraazapyridinophane core appended with an ethylamino tail including 2-quinoline (L1) or 4-quinoline (L2) functionalities. Potentiometric studies indicate the formation of stable CuL(2+) species with both ligands, the L1 complex being 3-4 log units more stable than the L2 complex. The crystal structure of [Cu(L1)](ClO(4))(2)·H(2)O shows that the coordination geometry around the Cu(2+) ions is distorted octahedral with significant axial elongation; the four Cu-N distances in the equatorial plane vary from 1.976 to 2.183 Å, while the axial distances are of 2.276 and 2.309 Å. The lower stability of the CuL2(2+) complex and its capability of forming protonated and hydroxo complexes suggest a penta-dentate coordination of the ligand, in agreement with the type of substitution at the quinoline ring. Kinetic studies on complex formation can be interpreted by considering that initial coordination of L1 and L2 takes place through the nitrogen atom in the quinoline ring. This is followed by coordination of the remaining nitrogen atoms, in a process that is faster in the L1 complex probably because substitution at the quinoline ring facilitates the reorganization. Kinetic studies on complex decomposition provide clear evidence on the occurrence of the molecular motion typical of scorpiands in the case of the L2 complex, for which decomposition starts with a very fast process (sub-millisecond timescale) that involves a shift in the absorption band from 643 to 690 nm.

  8. 3D radiative transfer simulations of Eta Carinae's inner colliding winds - II. Ionization structure of helium at periastron

    NASA Astrophysics Data System (ADS)

    Clementel, N.; Madura, T. I.; Kruip, C. J. H.; Paardekooper, J.-P.

    2015-06-01

    Spectral observations of the massive colliding wind binary Eta Carinae show phase-dependent variations, in intensity and velocity, of numerous helium emission and absorption lines throughout the entire 5.54-yr orbit. Approaching periastron, the 3D structure of the wind-wind interaction region (WWIR) gets highly distorted due to the eccentric (e ˜ 0.9) binary orbit. The secondary star (ηB) at these phases is located deep within the primary's dense wind photosphere. The combination of these effects is thought to be the cause of the particularly interesting features observed in the helium lines at periastron. We perform 3D radiative transfer simulations of η Car's interacting winds at periastron. Using the SIMPLEX radiative transfer algorithm, we post-process output from 3D smoothed particle hydrodynamic simulations of the inner 150 au of the η Car system for two different primary star mass-loss rates (dot{M}_{η A}). Using previous results from simulations at apastron as a guide for the initial conditions, we compute 3D helium ionization maps. We find that, for higher dot{M}_{η A}, ηB He0+-ionizing photons are not able to penetrate into the pre-shock primary wind. He+ due to ηB is only present in a thin layer along the leading arm of the WWIR and in a small region close to the stars. Lowering dot{M}_{η A} allows ηB's ionizing photons to reach the expanding unshocked secondary wind on the apastron side of the system, and create a low fraction of He+ in the pre-shock primary wind. With apastron on our side of the system, our results are qualitatively consistent with the observed variations in strength and radial velocity of η Car's helium emission and absorption lines, which helps better constrain the regions where these lines arise.

  9. Single photon simultaneous K-shell ionization and K-shell excitation. II. Specificities of hollow nitrogen molecular ions

    SciTech Connect

    Carniato, S. Selles, P.; Andric, L.; Palaudoux, J.; Penent, F.; Lablanquie, P.; Žitnik, M.; Bučar, K.; Nakano, M.; Hikosaka, Y.; Ito, K.

    2015-01-07

    The formalism developed in the companion Paper I is used here for the interpretation of spectra obtained recently on the nitrogen molecule. Double core-hole ionization K{sup −2} and core ionization-core excitation K{sup −2}V processes have been observed by coincidence electron spectroscopy after ionization by synchrotron radiation at different photon energies. Theoretical and experimental cross sections reported on an absolute scale are in satisfactory agreement. The evolution with photon energy of the relative contribution of shake-up and conjugate shake-up processes is discussed. The first main resonance in the K{sup −2}V spectrum is assigned to a K{sup −2}π{sup ∗} state mainly populated by the 1s→ lowest unoccupied molecular orbital dipolar excitation, as it is in the K{sup −1}V NEXAFS (Near-Edge X-ray Absorption Fine Structure) signals. Closer to the K{sup −2} threshold Rydberg resonances have been also identified, and among them a K{sup −2}σ{sup ∗} resonance characterized by a large amount of 2s/2p hybridization, and double K{sup −2}(2σ{sup ∗}/1π/3σ){sup −1}1π{sup ∗2} shake-up states. These resonances correspond in NEXAFS spectra to, respectively, the well-known σ{sup ∗} shape resonance and double excitation K{sup −1}(2σ{sup ∗}/1π/3σ){sup −1}1π{sup ∗2} resonances, all being positioned above the threshold.

  10. A Critical Compilation of Energy Levels, Spectral Lines, and Transition Probabilities of Singly Ionized Silver, Ag II.

    PubMed

    Kramida, Alexander

    2013-01-01

    All available experimental measurements of the spectrum of the Ag(+) ion are critically reviewed. Systematic shifts are removed from the measured wavelengths. The compiled list of critically evaluated wavelengths is used to derive a comprehensive list of energy levels with well-defined uncertainties. Eigenvector compositions and level designations are found in two alternate coupling schemes. Some of the older work is found to be incorrect. A revised value of the ionization energy, 173283(7) cm(-1), equivalent to 21.4844(8) eV, is derived from the new energy levels. A set of critically evaluated transition probabilities is given.

  11. Picosecond spectroscopic studies of equilibrium structural fluctuations of native and partially unfolded states of Zinc II-substituted and metal-free cytochromes C

    NASA Astrophysics Data System (ADS)

    Tripathy, Jagnyaseni

    Picosecond time-resolved fluorescence spectroscopy was employed to characterize the equilibrium and non-equilibrium protein structural fluctuations in Zn II-substituted (ZnCytc) and metal-free (fbCytc) cytochromes c using dynamic fluorescence Stokes shift (FSS) and fluorescence anisotropy (FA) measurements. The intrinsic porphyrin chromophore is used as the probe for the structural fluctuations of the surrounding protein and solvent. The FSS experiments examine how the time scales detected from the dynamic solvation of a chromoprotein report changes in the character of motion. ZnCytc and fbCytc serve as limited, single-chromophore models for photosynthetic reaction center and light-harvesting proteins. The dynamic solvation of redox and light-harvesting chromophores in photosynthesis plays an important role in the quantum efficiency of electron transfer and energy transfer performed by these systems, respectively. The FSS response function of fbCytc in water is biexponential over the 100-ps--50-ns regime and the two time constants are 1.4 ns and 9.1 ns. ZnCytc under similar solution conditions shows a biexponential FSS response but with time constants of 0.2 ns and 1.5 ns. The two correlation times from the FSS response function correspond to motions of the hydrophobic core and the solvent-contact layer, respectively. Both FSS correlation times were lengthened and the solvation reorganization energy was reduced from 43 cm-1 to 33 cm-1 in the presence of 50% (v/v) glycerol. A Brownian diffusion model with thermally activated barrier crossings on the protein-folding energy landscape is used to interpret these results. The conclusion is that the mean-squared deviations of the fluctuations exhibited by fbCytc are perhaps a factor of ten larger than those in ZnCytc, which is consistent with the suggestion that fbCytc assumes a dynamic, partially unfolded structure with some of the characteristics of a molten globule. The nature of the motion associated with the

  12. Observations of an ionization ridge containing an embedded O-B cluster in the G10.2-0.3 H II region of W31

    NASA Technical Reports Server (NTRS)

    Woodward, C. E.; Helfer, H. L.; Pipher, J. L.

    1984-01-01

    VLA radio maps at 5-GHz of the G10.2-0.3 H II region in the W31 complex reveal an extended ionization ridge of dimensions 5.7 x 2.9 sq pc at an assumed distance of 7 kpc. In the ridge, 21 dense clumps have been found with characteristic emission measures of about a million pc/cm to the 6th and electron densities greater than 1000/cu cm, suggesting embedded stars. From estimates of the number of Lyman continuum photos required to support the radio structure, spectral types in the ridge are found which range from B0.5 to O6. The observed radio structure cannot be explained by excitation from a single embedded source, or by expansion of shock-heated gas into the interstellar medium.

  13. Laser desorption ionization mass spectrometry in the study of natural and synthetic melanins. II--Serotonin melanins.

    PubMed

    Bertazzo, A; Biasiolo, M; Costa, C; Allegri, G; Elli, G; Seraglia, R; Traldi, P

    1994-07-01

    Various biosynthetic melanins obtained by enzymic oxidation of serotonin with polyphenol oxidase from Psalliota campestris mushroom or potato, and with tyrosinase from Sepia officinalis or from Sigma were studied by means of laser desorption ionization mass spectrometry. Various oligomeric clusters were evidenced, proving that the examined melanins are composed of sets of different oligomers, the production of which strongly depends on the enzyme reaction. While serotonin melanins obtained with polyphenol oxidase from potato showed wide species distribution with molecular weights ranging from 2008 to 13,000 Da, the same melanins obtained from mushroom showed oligomer distributions from 1505 to 9000 Da. Serotonin melanins prepared with tyrosinase from Sepia showed oligomers from 1636 to 18,000 Da. A dopa-melanin obtained with mushroom polyphenol oxidase showed oligomer species from 1709 to 17,874 Da. Comparison of molecular weight distributions of the various oligomer sets in serotonin melanins with those in tyrosine melanins revealed clear differences, which are investigated and discussed.

  14. A Gel Probe Equilibrium Sampler for Measuring Arsenic Porewater Profiles And Sorption Gradients in Sediments: Ii. Field Application to Haiwee Reservoir Sediment

    SciTech Connect

    Campbell, K.M.; Root, R.; O'Day, P.A.; Hering, J.G.

    2009-05-12

    Arsenic (As) geochemistry and sorption behavior were measured in As- and iron (Fe)-rich sediments of Haiwee Reservoir by deploying undoped (clear) polyacrylamide gels and hydrous ferric oxide (HFO)-doped gels in a gel probe equilibrium sampler, which is a novel technique for directly measuring the effects of porewater composition on As adsorption to Fe oxides phases in situ. Arsenic is deposited at the sediment surface as As(V) and is reduced to As(III) in the upper layers of the sediment (0-8 cm), but the reduction of As(V) does not cause mobilization into the porewater. Dissolved As and Fe concentrations increased at depth in the sediment column driven by the reductive dissolution of amorphous Fe(III) oxyhydroxides and conversion to a mixed Fe(II, III) green rust-type phase. Adsorption of As and phosphorous (P) onto HFO-doped gels was inhibited at intermediate depths (10-20 cm), possibly due to dissolved organic or inorganic carbon, indicating that dissolved As concentrations were at least partially controlled by porewater composition rather than surface site availability. In sediments that had been recently exposed to air, the region of sorption inhibition was not observed, suggesting that prior exposure to air affected the extent of reductive dissolution, porewater chemistry, and As adsorption behavior. Arsenic adsorption onto the HFO-doped gels increased at depths >20 cm, and the extent of adsorption was most likely controlled by the competitive effects of dissolved phosphate. Sediment As adsorption capacity appeared to be controlled by changes in porewater composition and competitive effects at shallower depths, and by reductive dissolution and availability of sorption sites at greater burial depths.

  15. A gel probe equilibrium sampler for measuring arsenic porewater profiles and sorption gradients in sediments: II. Field application to Haiwee reservoir sediment

    USGS Publications Warehouse

    Campbell, K.M.; Root, R.; O'Day, P. A.; Hering, J.G.

    2008-01-01

    Arsenic (As) geochemistry and sorption behavior were measured in As- and iron (Fe)-rich sediments of Haiwee Reservoir by deploying undoped (clear) polyacrylamide gels and hydrous ferric oxide (HFO)-doped gels in a gel probe equilibrium sampler, which is a novel technique for directly measuring the effects of porewater composition on As adsorption to Fe oxides phases in situ. Arsenic is deposited at the sediment surface as As(V) and is reduced to As(III) in the upper layers of the sediment (0-8 cm), but the reduction of As(V) does not cause mobilization into the porewater. Dissolved As and Fe concentrations increased at depth in the sediment column driven by the reductive dissolution of amorphous Fe(III) oxyhydroxides and conversion to a mixed Fe(II, III) green rust-type phase. Adsorption of As and phosphorous (P) onto HFO-doped gels was inhibited at intermediate depths (10-20 cm), possibly due to dissolved organic or inorganic carbon, indicating that dissolved As concentrations were at least partially controlled by porewater composition rather than surface site availability. In sediments that had been recently exposed to air, the region of sorption inhibition was not observed, suggesting that prior exposure to air affected the extent of reductive dissolution, porewater chemistry, and As adsorption behavior. Arsenic adsorption onto the HFO-doped gels increased at depths >20 cm, and the extent of adsorption was most likely controlled by the competitive effects of dissolved phosphate. Sediment As adsorption capacity appeared to be controlled by changes in porewater composition and competitive effects at shallower depths, and by reductive dissolution and availability of sorption sites at greater burial depths. ?? 2008 American Chemical Society.

  16. Ultra high performance liquid chromatography-ultraviolet-electrospray ionization-micrOTOF-Q II analysis of flavonoid fractions from Jatropha tanjorensis

    PubMed Central

    Purushothaman, Arun Kallur; Pemiah, Brindha

    2014-01-01

    Background: Jatropha tanjorensis (Euphorbiaceae) an exotic traditional plant unique to Thanjavur district of Southern India also commonly called as Catholic vegetable. It has been used traditionally in decoctions for treating various ailments and as a health tonic. Objective: The objective of the present work is to study a comprehensive characterization of methanolic extract fractions using ultra high performance liquid chromatography (UHPLC)+-electrospray ionization (ESI)-micrOTOF-Q II and correlate their bioactivities. Materials and Methods: Phytoconstituents from J. tanjorensis leaves were extracted with methanol (MeOH) followed by successive chromatography using linear gradient polar solvents system. All fractions obtained were evaluated for their chemical potential using micrOTOF-Q II techniques and identified key molecules were determined for their anticancer and anti-oxidant potential using in vitro methods. Results: Successive column chromatography of the MeOH residue yielded six fractions. Compounds such as such as C-glycosylflavones (mono-C-, di-C-), O, C-diglycosylflavones and aglycones were identified for the first time in this plant using UHPLC-ultraviolet-micrOTOF-Q II ESI and a correlation with their anticancer using 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide assay on Ehrlich ascites cells (EAC) and antioxidant activities using 2,2-diphenyl-1-picrylhydrazyl and lipid peroxidation were studied; fraction D extract exhibited the strongest activity against cancer cell. Conclusions: LC-mass spectrometry has been successfully applied for a quick separation and identification of the major phytoconstituents. All fractions have shown potent antioxidative activity as compared to standard antioxidant 3,5-di-tert-butyl-4-hydroxytoluene. EAC cell-based cytotoxicity assay also revealed encouraging results. The antioxidant and anticancer activity determined in the present work can be attributed to the presence of flavonoids and flavone glycosides

  17. Informational Equilibrium.

    DTIC Science & Technology

    1982-09-01

    that for variouis standard types of equilibria* they hold. In particular, if one uses the teaporary equilibrium framework one can use the standard ...T, the integral converges toward f’ia(da) f fU(b~dc)6(a,b,c)T( asdm ) A B C which is fR (da) f d(lib,c) U0 T (cab) A BxC Me converse Is obvious

  18. From Ultracompact to Extended H II Regions

    NASA Astrophysics Data System (ADS)

    Garcia-Segura, Guillermo; Franco, Jose

    1996-09-01

    The dynamical evolution of H II regions and wind-driven bubbles in dense clouds is studied. In particular, we address two different issues: (1) the conditions under which ultracompact H II (UCHII) regions can reach pressure equilibrium with their surrounding medium (and thereby stall their expansion) and (2) the appearance of a powerful dynamic instability in expanding H II regions. At pressure equilibrium, the ionized regions become static, and as long as the ionization sources and the ambient gas densities remain about constant, the resulting UCHII regions are stable and long-lived. The equilibrium sizes and densities, Rs,eq ˜3 X 10-2F⅓48T⅔H II, 4P-⅔7 pc and ni,eq ˜4 × 104P7T-1H II, 4 cm-3 (where Fβ8 is the photoionizing flux in units of 1048 s-11, P7 is the pressure in units of 10-7 dyne cm-2, and TH II,4 is the ion temperature in units of 104 K), are similar to those actually observed in UCHII regions. Similarly, ultra- compact wind-driven bubbles can reach pressure equilibrium, and the resulting final sizes are similar to those of UCHII'S. The same is true for a combined ultracompact structure consisting of an interior wind- driven cavity and an external H II region. For nonmoving stars in a constant-density medium, the lifetimes for all types of ultracompact objects only depend on the stellar lifetimes. For cases with a density gradient, depending on the core size and slope of the density distribution, some regions never reach the static equilibrium condition. A powerful dynamic instability appears when cooling is included in the neutral gas swept up by an H II region or a combined wind-H II region structure. This instability was first studied by Giuliani and is associated with the thin-shell instability described by Vishniac. The internal ionization front exacerbates the growth of the thin-shell instability, creating a rapid shell fragmentation, and our numerical simulations confirm the linear analysis of Giuliani. The fragments tend to merge as

  19. Constraining the Evolution of the Ionizing Background and the Epoch of Reionization with z~6 Quasars. II. A Sample of 19 Quasars

    NASA Astrophysics Data System (ADS)

    Fan, Xiaohui; Strauss, Michael A.; Becker, Robert H.; White, Richard L.; Gunn, James E.; Knapp, Gillian R.; Richards, Gordon T.; Schneider, Donald P.; Brinkmann, J.; Fukugita, Masataka

    2006-07-01

    We study the evolution of the ionization state of the intergalactic medium (IGM) at the end of the reionization epoch using moderate-resolution spectra of a sample of 19 quasars at 5.74II regions around luminous quasars. Using this large sample, we find that the evolution of the ionization state of the IGM accelerated at z>5.7: the GP optical depth evolution changes from τeffGP~(1+z)4.3 to (1+z)>~11, and the average length of dark gaps with τ>3.5 increases from <10 to >80 comoving Mpc. The dispersion of IGM properties along different lines of sight also increases rapidly, implying fluctuations by a factor of >~4 in the UV background at z>6, when the mean free path of UV photons is comparable to the correlation length of the star-forming galaxies that are thought to have caused reionization. The mean length of dark gaps shows the most dramatic increase at z~6, as well as the largest line-of-sight variations. We suggest using dark gap statistics as a powerful probe of the ionization state of the IGM at yet higher redshift. The sizes of H II regions around luminous quasars decrease rapidly toward higher redshift, suggesting that the neutral fraction of the IGM has increased by a factor of >~10 from z=5.7 to 6.4, consistent with the value derived from the GP optical depth. The mass-averaged neutral fraction is 1%-4% at z~6.2 based on the GP optical depth and H II region size measurements. The observations suggest that z~6 is the end of the overlapping stage of reionization and are inconsistent with a mostly neutral IGM at z~6, as indicated by the finite length of the dark absorption gaps. Based on observations obtained with the Sloan Digital Sky Survey at the W. M. Keck Observatory, which is

  20. pH-metric log P. II: Refinement of partition coefficients and ionization constants of multiprotic substances.

    PubMed

    Avdeef, A

    1993-02-01

    A generalized, weighted, nonlinear least squares procedure is developed, based on pH titration data, for the refinement of octanol-water partition coefficients (log P) and ionization constants (pKa) of multiprotic substances. Ion-pair partition reactions, self-association reactions forming oligomers, and formations of mixed-substance complexes can be treated with this procedure. The procedure allows for CO2 corrections in instances where the base titrant may have CO2 as an impurity. Optionally, the substance purity and the titrant strength may be treated as adjustable parameters. The partial differentiation in the Gauss-Newton refinement procedure is based on newly derived analytical expressions. The new procedure was experimentally demonstrated with benzoic acid, 1-benzylimidazole, (+/-)-propranolol, and mellitic acid (benzenehexacarboxylic acid, AH6). Ionic strength (l) was adjusted with KNO3. Benzoic acid (20 degrees C; l 0.1 M): pKa = 3.99 +/- 0.02, log P = 1.96 +/- 0.02, log P (anion) = -1.2; 1-benzylimidazole (25 degrees C; l 0.1 M): pKa = 6.70 +/- 0.03, log P = 1.60 +/- 0.04; propranolol (25 degrees C; l 0.1 M): pKa = 9.53 +/- 0.06, log P = 3.35 +/- 0.03, log P (cation) = 0.62 +/- 0.08; mellitic acid (26 degrees C; l 0.2 M): pKas 1.10 +/- 0.46, 1.69 +/- 0.03, 2.75 +/- 0.02, 4.00 +/- 0.02, 5.05 +/- 0.01, and 6.04 +/- 0.02; in the presence of 0.01 M n-Bu4NBr, log P (AH6) = 1.5, log P (AH5-) = 1.1, log P (AH4(2-)) = 0.8, log P (AH3(3-)) = 0.3, log P (AH2(4-)) = -0.1, and log P (AH5-) = -0.5 (all +/- 0.1).(ABSTRACT TRUNCATED AT 250 WORDS)

  1. The Contribution of Field OB Stars to the Ionization of the Diffuse Ionized Gas in M33

    NASA Astrophysics Data System (ADS)

    Hoopes, Charles G.; Walterbos, René A. M.

    2000-10-01

    We present a study of the ionizing stars associated with the diffuse ionized gas (DIG) and H II regions in the nearby spiral galaxy M33. We compare our Schmidt Hα image to the far-ultraviolet (FUV, 1520 Å) image from the Ultraviolet Imaging Telescope (UIT). The Hα/FUV ratio is higher in H II regions than in the DIG, suggesting an older population of ionizing stars in the DIG. Assuming ionization equilibrium, we convert the Hα flux to the number of Lyman continuum photons NLyc. When compared to models of evolving stellar populations, the NLyc/FUV ratio in H II regions is consistent with a young burst, while the DIG ratio resembles an older burst population, or a steady state population built up by constant star formation, which is probably a more accurate description of the stellar population in the field. The UIT data is complemented with archival FUV and optical images of a small portion of the disk of M33 obtained with WFPC2 on board the Hubble Space Telescope (HST). These images overlap low- and mid-luminosity H II regions as well as DIG, so we can investigate the stellar population in these environments. Using the HST FUV and optical photometry, we assign spectral types to the stars observed in DIG and H II regions. The photometry indicates that ionizing stars are present in the DIG. We compare the predicted ionizing flux with the amount required to produce the observed Hα emission, and we find that field OB stars in the HST images can account for 40%+/-12% of the ionization of the DIG, while the stars in H II regions can provide 107%+/-26% of the Hα luminosity of the H II regions. Due to the limited coverage of the HST data, we cannot determine if stars outside the HST fields ionize some of the DIG located in the HST fields, nor can we determine if photons from stars inside the HST fields leak out of the area covered by the HST fields. We do not find any correlation between leakage of ionizing photons and Hα luminosity for the H II regions in our HST

  2. Measurements of miniature ionization chamber currents in the JSI TRIGA Mark II reactor demonstrate the importance of the delayed contribution to the photon field in nuclear reactors

    NASA Astrophysics Data System (ADS)

    Radulović, Vladimir; Fourmentel, Damien; Barbot, Loïc; Villard, Jean-François; Kaiba, Tanja; Gašper, Žerovnik; Snoj, Luka

    2015-12-01

    The characterization of experimental locations of a research nuclear reactor implies the determination of neutron and photon flux levels within, with the best achievable accuracy. In nuclear reactors, photon fluxes are commonly calculated by Monte Carlo simulations but rarely measured on-line. In this context, experiments were conducted with a miniature gas ionization chamber (MIC) based on miniature fission chamber mechanical parts, recently developed by the CEA (French Atomic Energy and Alternative Energies Commission) irradiated in the core of the Jožef Stefan Institute TRIGA Mark II reactor in Ljubljana, Slovenia. The aim of the study was to compare the measured MIC currents with calculated currents based on simulations with the MCNP6 code. A discrepancy of around 50% was observed between the measured and the calculated currents; in the latter taking into consideration only the prompt photon field. Further experimental measurements of MIC currents following reactor SCRAMs (reactor shutdown with rapid insertions of control rods) provide evidence that over 30% of the total measured signal is due to the delayed photon field, originating from fission and activation products, which are untreated in the calculations. In the comparison between the measured and calculated values, these findings imply an overall discrepancy of less than 20% of the total signal which is still unexplained.

  3. Ionizing radiation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This chapter gives a comprehensive review on ionizing irradiation of fresh fruits and vegetables. Topics include principles of ionizing radiation, its effects on pathogenic and spoilage microorganisms, shelf-life, sensory quality, nutritional and phytochemical composition, as well as physiologic and...

  4. Importance of reduced sulfur for the equilibrium chemistry and kinetics of Fe(II), Co(II) and Ni(II) supplemented to semi-continuous stirred tank biogas reactors fed with stillage.

    PubMed

    Shakeri Yekta, Sepehr; Lindmark, Amanda; Skyllberg, Ulf; Danielsson, Asa; Svensson, Bo H

    2014-03-30

    The objective of the present study was to assess major chemical reactions and chemical forms contributing to solubility and speciation of Fe(II), Co(II), and Ni(II) during anaerobic digestion of sulfur (S)-rich stillage in semi-continuous stirred tank biogas reactors (SCSTR). These metals are essential supplements for efficient and stable performance of stillage-fed SCSTR. In particular, the influence of reduced inorganic and organic S species on kinetics and thermodynamics of the metals and their partitioning between aqueous and solid phases were investigated. Solid phase S speciation was determined by use of S K-edge X-ray absorption near-edge spectroscopy. Results demonstrated that the solubility and speciation of supplemented Fe were controlled by precipitation of FeS(s) and formation of the aqueous complexes of Fe-sulfide and Fe-thiol. The relatively high solubility of Co (∼ 20% of total Co content) was attributed to the formation of compounds other than Co-sulfide and Co-thiol, presumably of microbial origin. Nickel had lower solubility than Co and its speciation was regulated by interactions with FeS(s) (e.g. co-precipitation, adsorption, and ion substitution) in addition to precipitation/dissolution of discrete NiS(s) phase and formation of aqueous Ni-sulfide complexes.

  5. Above-threshold ionization with highly charged ions in superstrong laser fields. II. Relativistic Coulomb-corrected strong-field approximation

    NASA Astrophysics Data System (ADS)

    Klaiber, Michael; Yakaboylu, Enderalp; Hatsagortsyan, Karen Z.

    2013-02-01

    We develop a relativistic Coulomb-corrected strong-field approximation (SFA) for the investigation of spin effects at above-threshold ionization in relativistically strong laser fields with highly charged hydrogenlike ions. The Coulomb-corrected SFA is based on the relativistic eikonal-Volkov wave function describing the ionized electron laser-driven continuum dynamics disturbed by the Coulomb field of the ionic core. The SFA in different partitions of the total Hamiltonian is considered. The formalism is applied for direct ionization of a hydrogenlike system in a strong linearly polarized laser field. The differential and total ionization rates are calculated analytically. The relativistic analog of the Perelomov-Popov-Terent'ev ionization rate is retrieved within the SFA technique. The physical relevance of the SFA in different partitions is discussed.

  6. Grid-based methods for diatomic quantum scattering problems II: Time-dependent treatment of single- and two-photon ionization of H2+

    SciTech Connect

    Rescigno, Thomas N.; Tao, L.; McCurdy, C.W.

    2009-04-20

    The time-dependent Schr\\"odinger equation for H2+ in a time-varying electromagnetic field is solved in the fixed-nuclei approximation using a previously developed finite-element/ discrete variable representation in prolate spheroidal coordinates. Amplitudes for single- and two-photon ionization are obtained using the method of exterior complex scaling to effectively propagate the field-free solutions from the end of the radiation pulse to infinite times. Cross sections are presented for one-and two-photon ionization for both parallel and perpendicular polarization of the photon field, as well as photoelectron angular distributions for two-photon ionization.

  7. Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications II. Users Manual and Program Description. 2; Users Manual and Program Description

    NASA Technical Reports Server (NTRS)

    McBride, Bonnie J.; Gordon, Sanford

    1996-01-01

    This users manual is the second part of a two-part report describing the NASA Lewis CEA (Chemical Equilibrium with Applications) program. The program obtains chemical equilibrium compositions of complex mixtures with applications to several types of problems. The topics presented in this manual are: (1) details for preparing input data sets; (2) a description of output tables for various types of problems; (3) the overall modular organization of the program with information on how to make modifications; (4) a description of the function of each subroutine; (5) error messages and their significance; and (6) a number of examples that illustrate various types of problems handled by CEA and that cover many of the options available in both input and output. Seven appendixes give information on the thermodynamic and thermal transport data used in CEA; some information on common variables used in or generated by the equilibrium module; and output tables for 14 example problems. The CEA program was written in ANSI standard FORTRAN 77. CEA should work on any system with sufficient storage. There are about 6300 lines in the source code, which uses about 225 kilobytes of memory. The compiled program takes about 975 kilobytes.

  8. Thermo-chemical dynamics and chemical quasi-equilibrium of plasmas in thermal non-equilibrium

    NASA Astrophysics Data System (ADS)

    Massot, Marc; Graille, Benjamin; Magin, Thierry E.

    2011-05-01

    We examine both processes of ionization by electron and heavy-particle impact in spatially uniform plasmas at rest in the absence of external forces. A singular perturbation analysis is used to study the following physical scenario, in which thermal relaxation becomes much slower than chemical reactions. First, electron-impact ionization is investigated. The dynamics of the system rapidly becomes close to a slow dynamics manifold that allows for defining a unique chemical quasi-equilibrium for two-temperature plasmas and proving that the second law of thermodynamics is satisfied. Then, all ionization reactions are taken into account simultaneously, leading to a surprising conclusion: the inner layer for short time scale (or time boundary layer) directly leads to thermal equilibrium. Global thermo-chemical equilibrium is reached within a short time scale, involving only chemical reactions, even if thermal relaxation through elastic collisions is assumed to be slow.

  9. Ionization chamber

    DOEpatents

    Walenta, Albert H.

    1981-01-01

    An ionization chamber has separate drift and detection regions electrically isolated from each other by a fine wire grid. A relatively weak electric field can be maintained in the drift region when the grid and another electrode in the chamber are connected to a high voltage source. A much stronger electric field can be provided in the detection region by connecting wire electrodes therein to another high voltage source. The detection region can thus be operated in a proportional mode when a suitable gas is contained in the chamber. High resolution output pulse waveforms are provided across a resistor connected to the detection region anode, after ionizing radiation enters the drift region and ionize the gas.

  10. IONIZATION CHAMBER

    DOEpatents

    Redman, W.C.; Shonka, F.R.

    1958-02-18

    This patent describes a novel ionization chamber which is well suited to measuring the radioactivity of the various portions of a wire as the wire is moved at a uniform speed, in order to produce the neutron flux traverse pattern of a reactor in which the wire was previously exposed to neutron radiation. The ionization chamber of the present invention is characterized by the construction wherein the wire is passed through a tubular, straight electrode and radiation shielding material is disposed along the wire except at an intermediate, narrow area where the second electrode of the chamber is located.

  11. Forebody and base region real gas flow in severe planetary entry by a factored implicit numerical method. II - Equilibrium reactive gas

    NASA Technical Reports Server (NTRS)

    Davy, W. C.; Green, M. J.; Lombard, C. K.

    1981-01-01

    The factored-implicit, gas-dynamic algorithm has been adapted to the numerical simulation of equilibrium reactive flows. Changes required in the perfect gas version of the algorithm are developed, and the method of coupling gas-dynamic and chemistry variables is discussed. A flow-field solution that approximates a Jovian entry case was obtained by this method and compared with the same solution obtained by HYVIS, a computer program much used for the study of planetary entry. Comparison of surface pressure distribution and stagnation line shock-layer profiles indicates that the two solutions agree well.

  12. Study of rock-water-nuclear waste interactions in the Pasco Basin, Washington: Part II. Preliminary equilibrium-step simulations of basalt diagenesis

    SciTech Connect

    Benson, L.V.; Carnahan, C.L.; Che, M.

    1980-08-01

    Interactions between a large number of complex chemical and physical processes have resulted in significant changes in the Pasco Basin hydrochemical system since emplacement of the first basalt flow. In order to perform preliminary simulations of the chemical evolution of this system, certain simplifying assumptions and procedures were adopted and a computer model which operates on the principal of local equilibrium was used for the mass transfer calculations. Significant uncertainties exist in both the thermodynamic and reaction rate data which were input to the computer model. In addition, the compositional characteristics of the evolving hydrochemical system remain largely unknown, especially as a function of distance along the flow path. Given these uncertainties, it remains difficult to assess the applicability of the equilibrium-step approach even though reasonable matches between observed and simulated hydrochemical data were obtained. Given the uncertainties mentioned, the predictive abilities of EQ6 are difficult, if not impossible to evaluate; our simulations produced, at best, only qualitative agreement with observed product mineral assemblages and sequences, and fluid compositions.

  13. Experimental approaches for studying non-equilibrium atmospheric plasma jets

    SciTech Connect

    Shashurin, A.; Keidar, M.

    2015-12-15

    This work reviews recent research efforts undertaken in the area non-equilibrium atmospheric plasma jets with special focus on experimental approaches. Physics of small non-equilibrium atmospheric plasma jets operating in kHz frequency range at powers around few Watts will be analyzed, including mechanism of breakdown, process of ionization front propagation, electrical coupling of the ionization front with the discharge electrodes, distributions of excited and ionized species, discharge current spreading, transient dynamics of various plasma parameters, etc. Experimental diagnostic approaches utilized in the field will be considered, including Rayleigh microwave scattering, Thomson laser scattering, electrostatic streamer scatterers, optical emission spectroscopy, fast photographing, etc.

  14. [Non-equilibrium thermodynamic separation theory of nonlinear chromatography. II. The 0-1 model for nonlinear-mass transfer kinetic processes].

    PubMed

    Liang, Heng; Jia, Zhenbin

    2007-11-01

    In the optimal design and control of preparative chromatographic processes, the obstacles appear when one tries to link the Wilson' s framework of chromatographic theories based on partial differential equations (PDEs) with the Eulerian presentation to optimal control approaches based on discrete time states, such as Markov decision processes (MDP) or Model predictive control (MPC). In this paper, the 0-1 model is presented to overcome the obstacles for nonlinear transport chromatography (NTC). With the Lagrangian-Eulerian description (L-ED), one solute cell unit is split into two solute cells, one (SCm) in the mobile phase with the linear velocity of the mobile phase, and the other (SCs) in the stationary phase with zero-velocity. The thermodynamic state vector, S(k), which comprises four vector components, i.e., the sequence number, the position and the local solute concentrations in both SCms and SCses, is introduced to describe the local thermodynamic path (LTP) and the macroscopical thermodynamic path (MTP). For the NTC, the LTP is designed for a solute zone to evolve from the state, S(k), to the virtual migration state, S(M), undergoing the virtual net migration sub-process, and then to the state, S(k+1), undergoing the virtual net inter phase mass transfer sub-process in a short time interval. Complete thermodynamic state iterations with the Markov characteristics are derived by using the local equilibrium isotherm and the local lumped mass transfer coefficient. When the local thermodynamic equilibrium is retained, excellent properties, such as consistency, stability, conservation, accuracy, etc., of the numerical solution of the 0-1 model are observed in the theoretical analysis and in the numerical experiments of the nonlinear ideal chromatography. It is found that the 0-1 model could properly link up with the MDP or optimal control approaches based on discrete time states.

  15. The effects of metallicity, UV radiation and non-equilibrium chemistry in high-resolution simulations of galaxies

    NASA Astrophysics Data System (ADS)

    Richings, A. J.; Schaye, Joop

    2016-05-01

    We present a series of hydrodynamic simulations of isolated galaxies with stellar mass of 109 M⊙. The models use a resolution of 750 M⊙ per particle and include a treatment for the full non-equilibrium chemical evolution of ions and molecules (157 species in total), along with gas cooling rates computed self-consistently using the non-equilibrium abundances. We compare these to simulations evolved using cooling rates calculated assuming chemical (including ionization) equilibrium, and we consider a wide range of metallicities and UV radiation fields, including a local prescription for self-shielding by gas and dust. We find higher star formation rates and stronger outflows at higher metallicity and for weaker radiation fields, as gas can more easily cool to a cold (few hundred Kelvin) star-forming phase under such conditions. Contrary to variations in the metallicity and the radiation field, non-equilibrium chemistry generally has no strong effect on the total star formation rates or outflow properties. However, it is important for modelling molecular outflows. For example, the mass of H2 outflowing with velocities {>}50 {km} {s}^{-1} is enhanced by a factor ˜20 in non-equilibrium. We also compute the observable line emission from C II and CO. Both are stronger at higher metallicity, while C II and CO emission are higher for stronger and weaker radiation fields, respectively. We find that C II is generally unaffected by non-equilibrium chemistry. However, emission from CO varies by a factor of ˜2-4. This has implications for the mean XCO conversion factor between CO emission and H2 column density, which we find is lowered by up to a factor ˜2.3 in non-equilibrium, and for the fraction of CO-dark molecular gas.

  16. THE FATE OF TRACE METALS IN A ROTARY KILN INCINERATOR WITH A SINGLE-STAGE IONIZING WET SCRUBBER - VOLUME II: APPENDICES

    EPA Science Inventory

    A series of pilot-scale incineration tests was performed at EPA's Incineration Research Facility (IRF) in Jefferson, Arkansas, to evaluate the fate of trace metals fed to a rotary kiln incinerator equipped with an ionizing wet scrubber (IWS) for particulate and acid gas control. ...

  17. Strong-field approximation for above-threshold ionization of polyatomic molecules. II. The role of electron rescattering off the molecular centers

    NASA Astrophysics Data System (ADS)

    Hasović, E.; Milošević, D. B.

    2014-05-01

    We consider high-order above-threshold ionization of polyatomic molecules by a strong laser field. An improved molecular strong-field approximation which takes into account the electron rescattering off the molecular centers is developed. The presented theory is applied to calculate the photoelectron energy and angular distributions for the ozone molecule. The obtained spectra exhibit pronounced minima, and this is explained as a three-point destructive interference of the rescattered electron wave packets.

  18. Aerospace Applications of Non-Equilibrium Plasma

    NASA Technical Reports Server (NTRS)

    Blankson, Isaiah M.

    2016-01-01

    Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

  19. Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire. II. Electron energy loss spectroscopic study

    SciTech Connect

    Lee, Sung Bo Han, Heung Nam; Kim, Young-Min

    2015-07-15

    In Part I, we have shown that the addition of Si into sapphire by ion implantationmakes the sapphire substrate elastically softer than for the undoped sapphire. The more compliant layer of the Si-implanted sapphire substrate can absorb the misfit stress at the GaN/sapphire interface, which produces a lower threading-dislocation density in the GaN overlayer. Here in Part II, based on experimental results by electron energy loss spectroscopy and a first-principle molecular orbital calculation in the literature, we suggest that the softening effect of Si results from a reduction of ionic bonding strength in sapphire (α-Al{sub 2}O{sub 3}) with the substitution of Si for Al.

  20. Removal of mercury(II) ions in aqueous solution using the peel biomass of Pachira aquatica Aubl: kinetics and adsorption equilibrium studies.

    PubMed

    Santana, Andrea J; dos Santos, Walter N L; Silva, Laiana O B; das Virgens, Cesário F

    2016-05-01

    Mercury is a highly toxic substance that is a health hazard to humans. This study aims to investigate powders obtained from the peel of the fruit of Pachira aquatica Aubl, in its in natura and/or acidified form, as an adsorbent for the removal of mercury ions in aqueous solution. The materials were characterized by Fourier transform infrared spectroscopy and thermogravimetric analysis. The infrared spectra showed bands corresponding to the axial deformation of carbonyls from carboxylic acids, the most important functional group responsible for fixing the metal species to the adsorbent material. The thermograms displayed mass losses related to the decomposition of three major components, i.e., hemicellulose, cellulose, and lignin. The adsorption process was evaluated using cold-vapor atomic fluorescence spectrometry (CV AFS) and cold-vapor atomic absorption spectrometry (CV AAS). Three isotherm models were employed. The adsorption isotherm model, Langmuir-Freundlich, best represented the adsorption process, and the maximum adsorption capacity was predicted to be 0.71 and 0.58 mg g(-1) at 25 °C in nature and acidified, respectively. Adsorption efficiencies were further tested on real aqueous wastewater samples, and removal of Hg(II) was recorded as 69.6 % for biomass acidified and 76.3 % for biomass in nature. Results obtained from sorption experiments on real aqueous wastewater samples revealed that recovery of the target metal ions was very satisfactory. The pseudo-second-order model showed the best correlation to the experimental data. The current findings showed that the investigated materials are potential adsorbents for mercury(II) ion removal in aqueous solution, with acidified P. aquatica Aubl being the most efficient adsorbent.

  1. NON-LOCAL THERMODYNAMICAL EQUILIBRIUM EFFECTS ON THE IRON ABUNDANCE OF ASYMPTOTIC GIANT BRANCH STARS IN 47 TUCANAE

    SciTech Connect

    Lapenna, E.; Mucciarelli, A.; Lanzoni, B.; Ferraro, F. R.; Dalessandro, E.; Massari, D.

    2014-12-20

    We present the iron abundance of 24 asymptotic giant branch (AGB) stars, members of the globular cluster 47 Tucanae, obtained with high-resolution spectra collected with the FEROS spectrograph at the MPG/ESO 2.2 m Telescope. We find that the iron abundances derived from neutral lines (with a mean value [Fe I/H] =–0.94 ± 0.01, σ = 0.08 dex) are systematically lower than those derived from single ionized lines ([Fe II/H] =–0.83 ± 0.01, σ = 0.05 dex). Only the latter are in agreement with those obtained for a sample of red giant branch (RGB) cluster stars, for which the Fe I and Fe II lines provide the same iron abundance. This finding suggests that non-local thermodynamical equilibrium (NLTE) effects driven by overionization mechanisms are present in the atmosphere of AGB stars and significantly affect the Fe I lines while leaving Fe II features unaltered. On the other hand, the very good ionization equilibrium found for RGB stars indicates that these NLTE effects may depend on the evolutionary stage. We discuss the impact of this finding on both the chemical analysis of AGB stars and on the search for evolved blue stragglers.

  2. Atmospheric and ionospheric response to trace gas perturbations through the ice age to the next century in the middle atmosphere. Part II-ionization

    NASA Astrophysics Data System (ADS)

    Beig, G.; Mitra, A. P.

    1997-07-01

    A global two-dimensional meridional ion composition model of the middle atmosphere is used to examine the effect of changing concentrations of several greenhouse gases on the overall distribution of ionization for this region, along with a steady state calculation for the upper heights. Changes in the neutral parameters for this study are taken from the companion article (Beig and Mitra, 1997). It has been predicted that there are several sensitive signals of man-made perturbations in the middle atmospheric ionization. In the mesospheric region, for a doubled CO2 scenario, we find that the total ionization density does not change appreciably and the maximum variation is found to be around 15% at about 70 km. However, the distribution of individual ions shows a considerable variation (up to about 100%) throughout the middle atmosphere. The fall-off height of the fractional abundance of water cluster ions is higher for 2050 A.D., suggesting domination of these ions up to greater heights. The concentration of water cluster ions increases below about 85 km; above this height it starts to decrease sharply with height. When a scenario with doubled CO2, with CH4 and business-as-usual (BAU) (for CFCs and N2O) is considered in the stratospheric region, it is found that only one family of negative ions, called NO3-core ions, is dominant instead of two in the normal case. Simulations are also made through the ages since the last ice age. Results indicate a reverse trend as compared to the above.

  3. Flux Jacobian Matrices For Equilibrium Real Gases

    NASA Technical Reports Server (NTRS)

    Vinokur, Marcel

    1990-01-01

    Improved formulation includes generalized Roe average and extension to three dimensions. Flux Jacobian matrices derived for use in numerical solutions of conservation-law differential equations of inviscid flows of ideal gases extended to real gases. Real-gas formulation of these matrices retains simplifying assumptions of thermodynamic and chemical equilibrium, but adds effects of vibrational excitation, dissociation, and ionization of gas molecules via general equation of state.

  4. Line emission from H II blister models

    NASA Technical Reports Server (NTRS)

    Rubin, R. H.

    1984-01-01

    Numerical techniques to calculate the thermal and geometric properties of line emission from H II 'blister' regions are presented. It is assumed that the density distributions of the H II regions are a function of two dimensions, with rotational symmetry specifying the shape in three-dimensions. The thermal and ionization equilibrium equations of the problem are solved by spherical modeling, and a spherical sector approximation is used to simplify the three-dimensional treatment of diffuse ionizing radiation. The global properties of H II 'blister' regions near the edges of a molecular cloud are simulated by means of the geometry/density distribution, and the results are compared with observational data. It is shown that there is a monotonic increase of peak surface brightness from the i = 0 deg (pole-on) observational position to the i = 90 deg (edge-on) position. The enhancement of the line peak intensity from the edge-on to the pole-on positions is found to depend on the density, stratification, ionization, and electron temperature weighting. It is found that as i increases, the position of peak line brightness of the lower excitation species is displaced to the high-density side of the high excitation species.

  5. Constraining the Evolution of the Ionizing Background and the Epoch of Reionization with z~6 Quasars II: A Sample of 19 Quasars

    SciTech Connect

    Fan, X; Strauss, M A; Becker, R H; White, R L; Gunn, J E; Knapp, G R; Richards, G T; Schneider, D P; Brinkmann, J; Fukugita, M

    2006-01-05

    We study the evolution of the ionization state of the intergalactic medium (IGM) at the end of the reionization epoch using moderate resolution spectra of a sample of nineteen quasars at 5.74 < z{sub em} < 6.42 discovered in the Sloan Digital Sky Survey. Three methods are used to trace IGM properties: (a) the evolution of the Gunn-Peterson (GP) optical depth in the Ly{alpha}, {beta}, and {gamma} transitions; (b) the distribution of lengths of dark absorption gaps, and (c) the size of HII regions around luminous quasars. Using this large sample, we find that the evolution of the ionization state of the IGM accelerated at z > 5.7: the GP optical depth evolution changes from {tau}{sub GP}{sup eff} {approx} (1 + z){sup 4.3} to (1 + z){sup {approx}> 11}, and the average length of dark gaps with {tau} > 3.5 increases from < 10 to > 80 comoving Mpc. The dispersion of IGM properties along different lines of sight also increases rapidly, implying fluctuations by a factor of {approx}> 4 in the UV background at z > 6, when the mean free path of UV photons is comparable to the correlation length of the star forming galaxies that are thought to have caused reionization. The mean length of dark gaps shows the most dramatic increase at z {approx} 6, as well as the largest line-of-sight variations. We suggest using dark gap statistics as a powerful probe of the ionization state of the IGM at yet higher redshift. The sizes of HII regions around luminous quasars decrease rapidly towards higher redshift, suggesting that the neutral fraction of the IGM has increased by a factor of {approx}> 10 from z = 5.7 to 6.4, consistent with the value derived from the GP optical depth. The mass-averaged neutral fraction is 1-4% at z {approx} 6.2 based on the GP optical depth and HII region size measurements. The observations suggest that z {approx} 6 is the end of the overlapping stage of reionization, and are inconsistent with a mostly neutral IGM at z {approx} 6, as indicated by the finite

  6. Non-targeted and delayed effects of exposure to ionizing radiation: II. Radiation-induced genomic instability and bystander effects in vivo, clastogenic factors and transgenerational effects

    NASA Technical Reports Server (NTRS)

    Morgan, William F.

    2003-01-01

    The goal of this review is to summarize the evidence for non-targeted and delayed effects of exposure to ionizing radiation in vivo. Currently, human health risks associated with radiation exposures are based primarily on the assumption that the detrimental effects of radiation occur in irradiated cells. Over the years a number of non-targeted effects of radiation exposure in vivo have been described that challenge this concept. These include radiation-induced genomic instability, bystander effects, clastogenic factors produced in plasma from irradiated individuals that can cause chromosomal damage when cultured with nonirradiated cells, and transgenerational effects of parental irradiation that can manifest in the progeny. These effects pose new challenges to evaluating the risk(s) associated with radiation exposure and understanding radiation-induced carcinogenesis.

  7. Highly specific spectrophotometric method for palladium(II) determination with 3-(5'-tetrazolylazo)-2,6-Diaminotoluene in the presence of chlorides. Kinetic and equilibrium study of reactions.

    PubMed

    Hernández, O; Jiménez, A I; Jiménez, F; Arias, J J; Havel, J

    1994-05-01

    3-(5'-tetrazolylazo)-2,6-Diaminotoluene (TEADAT, H(3)L(2+)) forms stable 1:1 and 1:2 (metal:ligand) pink-red complexes (lambda(max) 506 and 536 nm) with palladium(II). The apparent molar absorptivity of 1:2 complex is 5.2 x 10(4) 1.mol(-1). cm(-1) at 536 nm. Equilibrium constants beta*(nl) for reactions PdCl(2-)(4) + nH(3)L(2+) right harpoon over left harpoonright harpoon over left harpoon PdCl(4-n) (H(2)L)(2n-2)(n) + n Cl(-) + n H(+) were determined: logbeta*(1) = 4.09 +/- 0.05, logbeta*(2) = 8.40 +/- 0.02, corresponding stability conditional constants of PdCl(3)(H(2)L) and PdCl(2)(H(2)L)(2+)(2) were log beta(1) = 19.03, log beta(2) = 26.74. The formation of complexes was rather slow but could be speeded up considerably by the catalytic effect of trace amounts of thiocyanate. Constant absorbance values were thus reached in 2-5 min. A rapid, sensitive and highly specific method for the determination of palladium(II) at pH 1.42 in 0.25M NACl has been worked out with a detection limit of 0.54 mug. Interference of precious and common metal ions have been studied and the method has been applied for the determination of palladium in Pd asbestos, oakay alloys and various catalysts and for the determination of palladium in precious metals.

  8. Epsilon Canis Majoris and the ionization of the local cloud

    NASA Astrophysics Data System (ADS)

    Vallerga, J. V.; Welsh, B. Y.

    1995-05-01

    The Lyman continuum radiation from the brightest extreme ultraviolet (EUV) source, the B2 II star epsilon Canis Majoris (Adara), is so intense that it dominates the local stellar EUV radiation field at wavelengths longer than 450 A and therefore sets a lower limit to the ionization of hydrogen in the Local Cloud. Using the EUV (70-730 A) spectrum of epsilon CMa taken with the Extreme Ultraviolet Explorer Satellite (EUVE) and simple models that extrapolate this spectrum to the Lyman edge at 912 A, we have determined the local interstellar hydrogen photionizatin parameter Gamma solely from epsilon CMa to be 1.1 x 10-15/s. This figure is a factor of 7 greater than previous estimates of Gamma calculated for all nearby stars combined (Bruhweiler & Cheng 1988). Using measured values of the density and temperature of neutral interstellar hydrogen gas in the Local Cloud, we derive a particle density of ionized hydrogen n(H(+)) and electrons ne of 0.015-0.019/cu cm assuming ionization equilibrium and a helium ionization fraction of less than 20%. These values correspond to a hydrogen ionizatin fraction, chiH from 19% to 15%, respectively. The range of these derived quantities is due to the uncertainties in the local values of the neutral hydrogen and helium interstellar densities derived from both (1) solar backscatter measurements of Ly alpha lines of hydrogen and helium (1216 and 584 A), and (2) the average neutral densities along the line of sight to nearby stars. The local proton density produced by epsilon CMa is enough to allow the ionization mechanism of Ripken & Fahr (1983) to work at the heliopause and explain the discrepancy between the neutral hydrogen density derived from solar backscatter measurements and line-of-sight averages to nearby stars. A large value of electron density in the Local Cloud of ne is approximately 0.3-0.7/cu cm (T = 7000 K) has recently been reported by Lallement et al. (1994) using observations of Mg II and Mg I toward Sirius A. We show

  9. Epsilon Canis Majoris and the ionization of the local cloud

    NASA Technical Reports Server (NTRS)

    Vallerga, J. V.; Welsh, B. Y.

    1995-01-01

    The Lyman continuum radiation from the brightest extreme ultraviolet (EUV) source, the B2 II star epsilon Canis Majoris (Adara), is so intense that it dominates the local stellar EUV radiation field at wavelengths longer than 450 A and therefore sets a lower limit to the ionization of hydrogen in the Local Cloud. Using the EUV (70-730 A) spectrum of epsilon CMa taken with the Extreme Ultraviolet Explorer Satellite (EUVE) and simple models that extrapolate this spectrum to the Lyman edge at 912 A, we have determined the local interstellar hydrogen photionizatin parameter Gamma solely from epsilon CMa to be 1.1 x 10(exp -15)/s. This fiugre is a factor of 7 greater than previous estimates of Gamma calculated for all nearby stars combined (Bruhweiler & Cheng 1988). Using measured values of the density and temperature of neutral interstellar hydrogen gas in the Local Cloud, we derive a particle density of ionized hydrogen n(H(+)) and electrons n(sub e) of 0.015-0.019/cu cm assuming ionization equilibrium and a helium ionization fraction of less than 20%. These values correspond to a hydrogen ionizatin fraction, chi(sub H) from 19% to 15%, respectively. The range of these derived quantities is due to the uncertainties in the local values of the neutral hydrogen and helium interstellar densities derived from both (1) solar backscatter measurements of Ly alpha lines of hydrogen and helium (1216 and 584 A), and (2) the average neutral densities along the line of sight to nearby stars. The local proton density produced by epsilon CMa is enough to allow the ionization mechanism of Ripken & Fahr (1983) to work at the heliopause and explain the discrepancy between the neutral hydrogen density derived from solar backscatter measurements and line-of-sight averages to nearby stars. A large value of electron density in the Local Cloud of n(sub e) is approximately 0.3-0.7/cu cm (T = 7000 K) has recently been reported by Lallement et al. (1994) using observations of Mg II and Mg I

  10. The He II Proximity Effect and The Lifetime of Quasars

    NASA Astrophysics Data System (ADS)

    Khrykin, I. S.; Hennawi, J. F.; McQuinn, M.; Worseck, G.

    2016-06-01

    The lifetime of quasars is fundamental for understanding the growth of supermassive black holes, and is an important ingredient in models of the reionization of the intergalactic medium (IGM). However, despite various attempts to determine quasar lifetimes, current estimates from a variety of methods are uncertain by orders of magnitude. This work combines cosmological hydrodynamical simulations and 1D radiative transfer to investigate the structure and evolution of the He ii Lyα proximity zones around quasars at z ≃ 3-4. We show that the time evolution in the proximity zone can be described by a simple analytical model for the approach of the He ii fraction {x}{He{{II}}}(t) to ionization equilibrium, and use this picture to illustrate how the transmission profile depends on the quasar lifetime, quasar UV luminosity, and the ionization state of Helium in the ambient IGM (i.e., the average He ii fraction, or equivalently the metagalactic He ii ionizing background). A significant degeneracy exists between the lifetime and the average He ii fraction, however the latter can be determined from measurements of the He ii Lyα optical depth far from quasars, allowing the lifetime to be measured. We advocate stacking existing He ii quasar spectra at z ˜ 3, and show that the shape of this average proximity zone profile is sensitive to lifetimes as long as ˜30 Myr. At higher redshift z ˜ 4 where the He ii fraction is poorly constrained, degeneracies will make it challenging to determine these parameters independently. Our analytical model for He ii proximity zones should also provide a useful description of the properties of H i proximity zones around quasars at z ≃ 6-7.

  11. Single ionization of molecular iodine

    NASA Astrophysics Data System (ADS)

    Smith, Dale L.; Tagliamonti, Vincent; Dragan, James; Gibson, George N.

    2017-01-01

    We performed a study of the single ionization of iodine, I2 over a range of wavelengths. Single ionization of I2 is unexpectedly found to have a contribution from inner molecular orbitals involving the 5 s electrons. The I+I+ dissociation channel was recorded through velocity map imaging, and the kinetic-energy release of each channel was determined with two-dimensional fitting of the images. Most of the measured kinetic-energy data were inconsistent with ionization to the X , A , and B states of I2 + , implying ionization from deeper orbitals. A pump-probe Fourier transform technique was used to look for modulation at the X - and A -state vibrational frequencies to see if they were intermediate states in a two-step process. X - and A -state modulation was seen only for kinetic-energy releases below 0.2 eV, consistent with dissociation through the B state. From these results and intensity-, polarization-, and wavelength-dependent experiments we found no evidence of bond softening, electron rescattering, or photon mediation through the X or A states to higher-energy single-ionization channels.

  12. Princeton spectral equilibrium code: PSEC

    SciTech Connect

    Ling, K.M.; Jardin, S.C.

    1984-03-01

    A fast computer code has been developed to calculate free-boundary solutions to the plasma equilibrium equation that are consistent with the currents in external coils and conductors. The free-boundary formulation is based on the minimization of a mean-square error epsilon while the fixed-boundary solution is based on a variational principle and spectral representation of the coordinates x(psi,theta) and z(psi,theta). Specific calculations using the Columbia University Torus II, the Poloidal Divertor Experiment (PDX), and the Tokamak Fusion Test Reactor (TFTR) geometries are performed.

  13. Characterization of Ni(II) complexes of Schiff bases of amino acids and (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide using ion trap and QqTOF electrospray ionization tandem mass spectrometry.

    PubMed

    Jirásko, Robert; Holcapek, Michal; Kolárová, Lenka; Nádvorník, Milan; Popkov, Alexander

    2008-09-01

    This work demonstrates the application of electrospray ionization mass spectrometry (ESI-MS) using two different mass analyzers, ion trap and hybrid quadrupole time-of-flight (QqTOF) mass analyzer, for the structural characterization of Ni(II) complexes of Schiff bases of (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide with different amino acids. ESI enables the determination of molecular weight on the basis of rather simple positive-ion ESI mass spectra containing only protonated molecules and adducts with sodium or potassium ions. Fragmentation patterns are characterized by tandem mass spectrometric experiments, where both tandem mass analyzers provide complementary information. QqTOF data are used for the determination of elemental composition of individual ions due to mass accuracies always better than 3 ppm with the external calibration, while multistage tandem mass spectra obtained by the ion trap are suitable for studying the fragmentation paths. The novel aspect of our approach is the combination of mass accuracies and relative abundances of all isotopic peaks in isotopic clusters providing more powerful data for the structural characterization of organometallic compounds containing polyisotopic elements. The benefit of relative and absolute mean mass accuracies is demonstrated on the example of studied Ni(II) complexes.

  14. An analytical theory of a scattering of radio waves on meteoric ionization - II. Solution of the integro-differential equation in case of backscatter

    NASA Astrophysics Data System (ADS)

    Pecina, P.

    2016-12-01

    The integro-differential equation for the polarization vector P inside the meteor trail, representing the analytical solution of the set of Maxwell equations, is solved for the case of backscattering of radio waves on meteoric ionization. The transversal and longitudinal dimensions of a typical meteor trail are small in comparison to the distances to both transmitter and receiver and so the phase factor appearing in the kernel of the integral equation is large and rapidly changing. This allows us to use the method of stationary phase to obtain an approximate solution of the integral equation for the scattered field and for the corresponding generalized radar equation. The final solution is obtained by expanding it into the complete set of Bessel functions, which results in solving a system of linear algebraic equations for the coefficients of the expansion. The time behaviour of the meteor echoes is then obtained using the generalized radar equation. Examples are given for values of the electron density spanning a range from underdense meteor echoes to overdense meteor echoes. We show that the time behaviour of overdense meteor echoes using this method is very different from the one obtained using purely numerical solutions of the Maxwell equations. Our results are in much better agreement with the observations performed e.g. by the Ondřejov radar.

  15. Getting Freshman in Equilibrium.

    ERIC Educational Resources Information Center

    Journal of Chemical Education, 1983

    1983-01-01

    Various aspects of chemical equilibrium were discussed in six papers presented at the Seventh Biennial Conference on Chemical Education (Stillwater, Oklahoma 1982). These include student problems in understanding hydrolysis, helping students discover/uncover topics, equilibrium demonstrations, instructional strategies, and flaws to kinetic…

  16. Equilibrium of KSTAR Plasma

    NASA Astrophysics Data System (ADS)

    You, K.-I.; Lee, D.-K.; Lee, S. G.; Bak, J. G.; Hahn, S. H.; Lao, L.; Kstar Team

    2011-10-01

    We have installed the EFIT code on our computing system and made some modification to reconstruct the plasma equilibrium of KSTAR (Korea Superconducting Tokamak Advanced Research). KSTAR PF and TF coil systems use a CICC (Cable-In-Conduit Conductor) type superconductor. The CICC jacket material for most PF and all TF coils is Incoloy 908, which is a magnetic material with relative magnetic permeability greater than 10 in low external field. We newly introduced Diamagnetic Loop and variational Motion Stark Effect signals to equilibrium reconstruction. In this paper, we present some results of equilibrium reconstruction with the EFIT code, assess the effects of newly introduced diagnsotics signal on the equilibrium reconstruction and compare the EFIT results with the various diagnostics data in various plasma conditions including H- and L- modes. In addition, we will show the Incoloy908 effects on the plasma equilibrium.

  17. Porfimer-sodium (Photofrin-II) in combination with ionizing radiation inhibits tumor-initiating cell proliferation and improves glioblastoma treatment efficacy

    PubMed Central

    Benayoun, Liat; Schaffer, Moshe; Bril, Rotem; Gingis-Velitski, Svetlana; Segal, Ehud; Nevelsky, Alexsander; Satchi-Fainaro, Ronit; Shaked, Yuval

    2013-01-01

    Tumor relapse and tumor cell repopulation has been explained partially by the drug-free break period between successive conventional treatments. Strategies to overcome tumor relapse have been proposed, such as the use of chemotherapeutic drugs or radiation in small, frequent fractionated doses without an extended break period between treatment intervals. Yet, tumors usually acquire resistance and eventually escape the therapy. Several mechanisms have been proposed to explain the resistance of tumors to therapy, one of which involves the cancer stem cell or tumor-initiating cell (TIC) concept. TICs are believed to resist many conventional therapies, in part due to their slow proliferation and self-renewal capacities. Therefore, emerging efforts to eradicate TICs are being undertaken. Here we show that treatment with Photofrin II, among the most frequently used photosensitizers, sensitized a TIC-enriched U-87MG human glioblastoma cell to radiation, and improve treatment outcome when used in combination with radiotherapy. A U-87MG tumor cell population enriched with radiation-resistant TICs becomes radio-sensitive, and an inhibition of cell proliferation and an increase in apoptosis are found in the presence of Photofrin II. Furthermore, U-87MG tumors implanted in mice treated with Photofrin II and radiation exhibit a significant reduction in angiogenesis and vasculogenesis, and an increased percentage of apoptotic TICs when compared with tumors grown in mice treated with radiation alone. Collectively, our results offer a new possible explanation for the therapeutic effects of radiosensitizing agents, and suggest that combinatorial treatment modalities can effectively prolong treatment outcome of glioblastoma tumors by inhibiting tumor growth mediated by TICs. PMID:23114641

  18. Wave propagation in a quasi-chemical equilibrium plasma

    NASA Technical Reports Server (NTRS)

    Fang, T.-M.; Baum, H. R.

    1975-01-01

    Wave propagation in a quasi-chemical equilibrium plasma is studied. The plasma is infinite and without external fields. The chemical reactions are assumed to result from the ionization and recombination processes. When the gas is near equilibrium, the dominant role describing the evolution of a reacting plasma is played by the global conservation equations. These equations are first derived and then used to study the small amplitude wave motion for a near-equilibrium situation. Nontrivial damping effects have been obtained by including the conduction current terms.

  19. Poly [1,1'-bis(ethynyl)-4,4'-biphenyl(bis-tributylphosphine)Pt(II)] solutions used as low dose ionizing radiation dosimeter

    SciTech Connect

    Bronze-Uhle, E. S.; Graeff, C. F. O.; Batagin-Neto, A.; Fernandes, D. M.; Fratoddi, I.; Russo, M. V.

    2013-06-17

    In this work, the effect of gamma radiation on the optical properties of polymetallayne poly[1,1'-bis(ethynyl)-4,4'-biphenyl(bis-tributylphosphine)Pt(II)] (Pt-DEBP) in chloroform solution is studied. The samples were irradiated at room temperature with doses from 0.01 Gy to 1 Gy using a {sup 60}Co gamma ray source. A new band at 420 nm is observed in the emission spectra, in superposition to the emission maximum at 398 nm, linearly dependent on dose. We propose to use the ratio of the emission amplitude bands as the dosimetric parameter. This method proved to be robust, accurate, and can be used as a dosimeter in medical applications.

  20. Chemical Principles Revisited: Chemical Equilibrium.

    ERIC Educational Resources Information Center

    Mickey, Charles D.

    1980-01-01

    Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

  1. Non-equilibrium in low-temperature plasmas

    NASA Astrophysics Data System (ADS)

    Taccogna, Francesco; Dilecce, Giorgio

    2016-11-01

    The wide range of applications of cold plasmas originates from their special characteristic of being a physical system out of thermodynamic equilibrium. This property enhances its reactivity at low gas temperature and allows to obtain macroscopic effects with a moderate energy consumption. In this review, the basic concepts of non-equilibrium in ionized gases are treated by showing why and how non-equilibrium functions of the degrees of freedom are formed in a variety of natural and man-made plasmas with particular emphasis on the progress made in the last decade. The modern point of view of a molecular basis of non-equilibrium and of a state-to-state kinetic approach is adopted. Computational and diagnostic techniques used to investigate the non-equilibrium conditions are also surveyed.

  2. Response reactions: equilibrium coupling.

    PubMed

    Hoffmann, Eufrozina A; Nagypal, Istvan

    2006-06-01

    It is pointed out and illustrated in the present paper that if a homogeneous multiple equilibrium system containing k components and q species is composed of the reactants actually taken and their reactions contain only k + 1 species, then we have a unique representation with (q - k) stoichiometrically independent reactions (SIRs). We define these as coupling reactions. All the other possible combinations with k + 1 species are the coupled reactions that are in equilibrium when the (q - k) SIRs are in equilibrium. The response of the equilibrium state for perturbation is determined by the coupling and coupled equilibria. Depending on the circumstances and the actual thermodynamic data, the effect of coupled equilibria may overtake the effect of the coupling ones, leading to phenomena that are in apparent contradiction with Le Chatelier's principle.

  3. Computing Equilibrium Chemical Compositions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1995-01-01

    Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

  4. INSTRUMENTS AND METHODS OF INVESTIGATION: Surface-ionization field mass-spectrometry studies of nonequilibrium surface ionization

    NASA Astrophysics Data System (ADS)

    Blashenkov, Nikolai M.; Lavrent'ev, Gennadii Ya

    2007-01-01

    The ionization of polyatomic molecules on tungsten and tungsten oxide surfaces is considered for quasiequilibrium or essentially nonequilibrium conditions (in the latter case, the term nonequilibrium surface ionization is used for adsorbate ionization). Heterogeneous reactions are supposed to proceed through monomolecular decay of polyatomic molecules or fragments of multimolecular complexes. The nonequilibrium nature of these reactions is established. The dependences of the current density of disordered ions on the surface temperature, electric field strength, and ionized particle energy distribution are obtained in analytical form. Heterogeneous dissociation energies, the ionization potentials of radicals, and the magnitude of reaction departure from equilibrium are determined from experimental data, as are energy exchange times between reaction products and surfaces, the number of molecules in molecular complexes, and the number of effective degrees of freedom in molecules and complexes. In collecting the data a new technique relying on surface-ionization field mass-spectrometry was applied.

  5. Transport coefficients and heat fluxes in non-equilibrium high-temperature flows with electronic excitation

    NASA Astrophysics Data System (ADS)

    Istomin, V. A.; Kustova, E. V.

    2017-02-01

    The influence of electronic excitation on transport processes in non-equilibrium high-temperature ionized mixture flows is studied. Two five-component mixtures, N 2 / N2 + / N / N + / e - and O 2 / O2 + / O / O + / e - , are considered taking into account the electronic degrees of freedom for atomic species as well as the rotational-vibrational-electronic degrees of freedom for molecular species, both neutral and ionized. Using the modified Chapman-Enskog method, the transport coefficients (thermal conductivity, shear viscosity and bulk viscosity, diffusion and thermal diffusion) are calculated in the temperature range 500-50 000 K. Thermal conductivity and bulk viscosity coefficients are strongly affected by electronic states, especially for neutral atomic species. Shear viscosity, diffusion, and thermal diffusion coefficients are not sensible to electronic excitation if the size of excited states is assumed to be constant. The limits of applicability for the Stokes relation are discussed; at high temperatures, this relation is violated not only for molecular species but also for electronically excited atomic gases. Two test cases of strongly non-equilibrium flows behind plane shock waves corresponding to the spacecraft re-entry (Hermes and Fire II) are simulated numerically. Fluid-dynamic variables and heat fluxes are evaluated in gases with electronic excitation. In inviscid flows without chemical-radiative coupling, the flow-field is weakly affected by electronic states; however, in viscous flows, their influence can be more important, in particular, on the convective heat flux. The contribution of different dissipative processes to the heat transfer is evaluated as well as the effect of reaction rate coefficients. The competition of diffusion and heat conduction processes reduces the overall effect of electronic excitation on the convective heating, especially for the Fire II test case. It is shown that reliable models of chemical reaction rates are of great

  6. Ionization potentials of seaborgium

    SciTech Connect

    Johnson, E.; Pershina, V.; Fricke, B.

    1999-10-21

    Multiconfiguration relativistic Dirac-Fock values were calculated for the first six ionization potentials of seaborgium and of the other group 6 elements. No experimental ionization potentials are available for seaborgium. Accurate experimental values are not available for all of the other ionization potentials. Ionic radii for the 4+ through 6+ ions of seaborgium are also presented. The ionization potentials and ionic radii obtained will be used to predict some physiochemical properties of seaborgium and its compounds.

  7. Ionization Energies of Lanthanides

    ERIC Educational Resources Information Center

    Lang, Peter F.; Smith, Barry C.

    2010-01-01

    This article describes how data are used to analyze the pattern of ionization energies of the lanthanide elements. Different observed pathways of ionization between different ground states are discussed, and the effects of pairing, exchange, and orbital interactions on ionization energies of the lanthanides are evaluated. When all the above…

  8. Photoionized gaseous nebulae and magnetized stellar winds: The evolution and shaping of H II regions and planetary nebulae

    NASA Astrophysics Data System (ADS)

    Franco, José; García-Segura, Guillermo; Kurtz, Stan E.; López, José A.

    2001-05-01

    The early evolution of hydrogen+ (H II) regions is controlled by the properties of the star-forming cloud cores. The observed density distributions in some young H II regions indicate that the power-law stratifications can be steeper than r-2. Ionization fronts can overrun these gradients and the ionized outflows are strongly accelerated along these steep density distributions. Thus, photoionized regions can either reach pressure equilibrium inside the inner parts of the high-pressure cores [with sizes and densities similar to those observed in ultra compact (UC) H II regions], or create bright H II regions with extended emission. The density inhomogeneities engulfed within the ionization fronts create corrugations in the front, which in turn drive instabilities in the ionization-shock (I-S) front. These instabilities grow on short time scales and lead to the fragmentation of the dense shells generated by the shock fronts. Thus, new clumps are continuously created from the fragmented shell, and the resulting finger-like structures can explain the existence of elephant trunks and cometary-like globules in most H II regions. In the case of planetary nebulae (PNe), wind asymmetries and magnetic fields from rotating stars, along with precession of the rotation axis, can create the wide range of observed PNe morphologies and collimated outflows (jets). Magnetic collimation and jet formation in PNe become very efficient after the flow has passed through the reverse shock of the PN.

  9. Universality in equilibrium and away from it: A personal perspective

    SciTech Connect

    Munoz, Miguel A.

    2011-03-24

    In this talk/paper I discuss the concept of universality in phase transitions and the question of whether universality classes are more robust in equilibrium than away from it. In both of these situations, the main ingredients determining universality are symmetries, conservation laws, the dimension of the space and of the order-parameter and the presence of long-range interactions or quenched disorder. The existence of detailed-balance and fluctuation-dissipation theorems imposes severe constraints on equilibrium systems, allowing to define universality classes in a very robust way; instead, non-equilibrium allows for more variability. Still, quite robust non-equilibrium universality classes have been identified in the last decades. Here, I discuss some examples in which (i) non-equilibrium phase transitions are simply controlled by equilibrium critical points, i.e. non-equilibrium ingredients turn out to be irrelevant in the renormalization group sense and (ii) non-equilibrium situations in which equilibrium seems to come out of the blue, generating an adequate effective description of intrinsically non-equilibrium problems. Afterwards, I shall describe different genuinely non-equilibrium phase transitions in which introducing small, apparently innocuous changes (namely: presence or absence of an underlying lattice, parity conservation in the overall number of particles, existence of an un-accessible vacuum state, deterministic versus stochastic microscopic rules, presence or absence of a Fermionic constraint), the critical behavior is altered, making the case for lack of robustness. However, it will be argued that in all these examples, there is an underlying good reason (in terms of general principles) for universality to be altered. The final conclusions are that: (i) robust universality classes exist both in equilibrium and non-equilibrium; (ii) symmetry and conservation principles are crucial in both, (iii) non-equilibrium allows for more variability (i

  10. The H[subscript 3]PO[subscript 4] Acid Ionization Reactions: A Capstone Multiconcept Thermodynamics General Chemistry Laboratory Exercise

    ERIC Educational Resources Information Center

    Nyasulu, Frazier; Barlag, Rebecca; Wise, Lindy; McMills, Lauren

    2013-01-01

    The thermodynamic properties of weak acid ionization reactions are determined. The thermodynamic properties are corresponding values of the absolute temperature (T), the weak acid equilibrium constant (K[subscript a]), the enthalpy of ionization (delta[subscript i]H[degrees]), and the entropy of ionization (delta[subscript i]S[degrees]). The…

  11. Diagnosing transient ionization in dynamic events

    NASA Astrophysics Data System (ADS)

    Doyle, J. G.; Giunta, A.; Madjarska, M. S.; Summers, H.; O'Mullane, M.; Singh, A.

    2013-09-01

    Aims: The present study aims to provide a diagnostic line ratio that will enable the observer to determine whether a plasma is in a state of transient ionization. Methods: We use the Atomic Data and Analysis Structure (ADAS) to calculate line contribution functions for two lines, Si iv 1394 Å and O iv 1401 Å, formed in the solar transition region. The generalized collisional-radiative theory is used. It includes all radiative and electron collisional processes, except for photon-induced processes. State-resolved direct ionization and recombination to and from the next ionization stage are also taken into account. Results: For dynamic bursts with a decay time of a few seconds, the Si iv 1394 Å line can be enhanced by a factor of 2-4 in the first fraction of a second with the peak in the line contribution function occurring initially at a higher electron temperature due to transient ionization compared to ionization equilibrium conditions. On the other hand, the O iv 1401 Å does not show such any enhancement. Thus the ratio of these two lines, which can be observed with the Interface Region Imaging Spectrograph, can be used as a diagnostic of transient ionization. Conclusions: We show that simultaneous high-cadence observations of two lines formed in the solar transition region may be used as a direct diagnostic of whether the observed plasma is in transient ionization. The ratio of these two lines can change by a factor of four in a few seconds owing to transient ionization alone.

  12. Quantum statistical mechanics of dense partially ionized hydrogen

    NASA Technical Reports Server (NTRS)

    Dewitt, H. E.; Rogers, F. J.

    1972-01-01

    The theory of dense hydrogen plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. The statistical mechanical calculation of the plasma equation of state is intended for stellar interiors. The general approach is extended to the calculation of the equation of state of the outer layers of large planets.

  13. Determination of nonaxisymmetric equilibrium

    SciTech Connect

    Elkin, D.

    1980-01-01

    The Princeton Equilibrium Code is modified to determine the equilibrium surfaces for a large aspect ratio toroidal system with helical magnetic fields. The code may easily be made to include any variety of modes. Verification of the code is made by comparison with an analytic solution for l = 3. Previously observed shifting of the magnetic axis with increasing pressure or with a changed externally applied vertical field is obtained. The case l = 0, a bumpy torus, gives convergence only for the lenient convergence tolerance of epsilon/sub b/ = 1.0 x 10-/sup 2/.

  14. Beyond Equilibrium Thermodynamics

    NASA Astrophysics Data System (ADS)

    Öttinger, Hans Christian

    2005-01-01

    Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.

  15. Roles of ionizing radiation in cell transformation

    SciTech Connect

    Tobias, C.A.; Albright, N.W.; Yang, T.C.

    1983-07-01

    Earlier the authors described a repair misrepair model (RMR-I) which is applicable for radiations of low LET, e.g., x rays and gamma rays. RMR-II was described later. Here is introduced a mathematical modification of the RMR model, RMR-III, which is intended to describe lethal effects caused by heavily ionizing tracks. 31 references, 4 figures.

  16. Axisymmetric model of the ionized gas in the Orion Nebula

    NASA Technical Reports Server (NTRS)

    Rubin, R. H.; Simpson, J. P.; Haas, M. R.; Erickson, E. F.

    1991-01-01

    New ionization and thermal equilibrium models for the ionized gas in the Orion Nebula with an axisymmetric two-dimensional 'blister' geometry/density distribution are presented. The HII region is represented more realistically than in previous models, while the physical detail of the microphysics and radiative transfer of the earlier spherical modeling is maintained. The predicted surface brightnesses are compared with observations for a large set of lines at different positions to determine the best-fitting physical parameters. The model explains the strong singly ionized line emission along the lines of sight near the Trapezium.

  17. An Updated Equilibrium Machine

    ERIC Educational Resources Information Center

    Schultz, Emeric

    2008-01-01

    A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are…

  18. Atmospheric-pressure laser ionization: a novel ionization method for liquid chromatography/mass spectrometry.

    PubMed

    Constapel, M; Schellenträger, M; Schmitz, O J; Gäb, S; Brockmann, K J; Giese, R; Benter, Th

    2005-01-01

    We report on the development of a new laser-ionization (LI) source operating at atmospheric pressure (AP) for liquid chromatography/mass spectrometry (LC/MS) applications. APLI is introduced as a powerful addition to existing AP ionization techniques, in particular atmospheric-pressure chemical ionization (APCI), electrospray ionization (ESI), and atmospheric pressure photoionization (APPI). Replacing the one-step VUV approach in APPI with step-wise two-photon ionization strongly enhances the selectivity of the ionization process. Furthermore, the photon flux during an ionization event is drastically increased over that of APPI, leading to very low detection limits. In addition, the APLI mechanism generally operates primarily directly on the analyte. This allows for very efficient ionization even of non-polar compounds such as polycyclic aromatic hydrocarbons (PAHs). The APLI source was characterized with a MicroMass Q-Tof Ultima II analyzer. Both the effluent of an HPLC column containing a number of PAHs (benzo[a]pyrene, fluoranthene, anthracene, fluorene) and samples from direct syringe injection were analyzed with respect to selectivity and sensitivity of the overall system. The liquid phase was vaporized by a conventional APCI inlet (AP probe) with the corona needle removed. Ionization was performed through selective resonance-enhanced multi-photon ionization schemes using a high-repetition-rate fixed-frequency excimer laser operating at 248 nm. Detection limits well within the low-fmol regime are readily obtained for various aromatic hydrocarbons that exhibit long-lived electronic states at the energy level of the first photon. Only molecular ions are generated at the low laser fluxes employed ( approximately 1 MW/cm(2)). The design and performance of the laser-ionization source are presented along with results of the analysis of aromatic hydrocarbons.

  19. Analytical instruments, ionization sources, and ionization methods

    DOEpatents

    Atkinson, David A.; Mottishaw, Paul

    2006-04-11

    Methods and apparatus for simultaneous vaporization and ionization of a sample in a spectrometer prior to introducing the sample into the drift tube of the analyzer are disclosed. The apparatus includes a vaporization/ionization source having an electrically conductive conduit configured to receive sample particulate which is conveyed to a discharge end of the conduit. Positioned proximate to the discharge end of the conduit is an electrically conductive reference device. The conduit and the reference device act as electrodes and have an electrical potential maintained between them sufficient to cause a corona effect, which will cause at least partial simultaneous ionization and vaporization of the sample particulate. The electrical potential can be maintained to establish a continuous corona, or can be held slightly below the breakdown potential such that arrival of particulate at the point of proximity of the electrodes disrupts the potential, causing arcing and the corona effect. The electrical potential can also be varied to cause periodic arcing between the electrodes such that particulate passing through the arc is simultaneously vaporized and ionized. The invention further includes a spectrometer containing the source. The invention is particularly useful for ion mobility spectrometers and atmospheric pressure ionization mass spectrometers.

  20. Microwave Mapping Demonstration Using the Thermochromic Cobalt Chloride Equilibrium

    ERIC Educational Resources Information Center

    Nguyen, Vu D.; Birdwhistell, Kurt R.

    2014-01-01

    An update to the thermochromic cobalt(II) chloride equilibrium demonstration is described. Filter paper that has been saturated with aqueous cobalt(II) chloride is heated for seconds in a microwave oven, producing a color change. The resulting pink and blue map is used to colorfully demonstrate Le Châtelier's principle and to illuminate the…

  1. Non-Equilibrium Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro

    Statistical mechanics provides a well-established link between microscopic equilibrium states and thermodynamics. If one considers systems out of equilibrium, the link between microscopic dynamical properties and non-equilibrium macroscopic states is more difficult to establish [1,2]. For systems lying near equilibrium, linear response theory provides a route to derive linear macroscopic laws and the microscopic expressions for the transport properties that enter the constitutive relations. If the system is displaced far from equilibrium, no fully general theory exists to treat such systems. By restricting consideration to a class of non-equilibrium states which arise from perturbations (linear or non-linear) of an equilibrium state, methods can be developed to treat non-equilibrium states. Furthermore, non-equilibrium molecular dynamics (NEMD) simulation methods can be devised to provide estimates for the transport properties of these systems.

  2. An Updated Equilibrium Machine

    NASA Astrophysics Data System (ADS)

    Schultz, Emeric

    2008-08-01

    A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are applied. Equilibrium can be approached from different distributions of balls in the container under different conditions. The Le Châtelier principle can be demonstrated. Kinetic concepts can be demonstrated by changing the nature of the barrier, either changing the height or by having various sized holes in the barrier. Thermodynamic concepts can be demonstrated by taping over some or all of the openings and restricting air flow into container on either side of the barrier.

  3. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  4. Thermal low spin-high spin equilibrium of Fe(II) in thiospinels CuFe{sub 0.5}(Sn{sub (1-x)}Ti{sub x}){sub 1.5}S{sub 4} (0{<=}x{<=}1)

    SciTech Connect

    Womes, M.; Reibel, C.; Mari, A.; Zitoun, D.

    2011-04-15

    A series of spinel compounds with composition CuFe{sub 0.5}(Sn{sub (1-x)}Ti{sub x}){sub 1.5}S{sub 4} (0{<=}x{<=}1) is analysed by X-ray diffraction, measurements of magnetic susceptibilities and {sup 57}Fe Moessbauer spectroscopy. All samples show a temperature-dependent equilibrium between an electronic low spin 3d(t{sub 2g}){sup 6}(e{sub g}){sup 0} and a high spin 3d(t{sub 2g}){sup 4}(e{sub g}){sup 2} state of the Fe(II) ions. The spin crossover is of the continuous type and extends over several hundred degrees in all samples. The Sn/Ti ratio influences the thermal equilibrium between the two spin states. Substitution of Sn(IV) by the smaller Ti(IV) ions leads to a more compact crystal lattice, which, in contrast to many metal-organic Fe(II) complexes, does not stabilise the low spin state, but increases the residual high spin fraction for T{yields}0 K. The role played by antiferromagnetic spin coupling in the stabilisation of the high spin state is discussed. The results are compared with model calculations treating the effect of magnetic interactions on spin state equilibria. -- Graphical Abstract: Comparison of fractions of high spin Fe(II) from Moessbauer spectra (circles) with plots of {chi}{sub m}T (dots) versus T. Discrepancies between both methods indicate anti-ferromagnetic spin coupling. Display Omitted Research highlights: {yields} Many Fe(II) complexes show thermally induced high spin-low spin crossover. {yields} Spin crossover in spinel compounds is extremely scarce. {yields} Usually, lattice contraction favours the low spin state in Fe(II) complexes. {yields} In these spinels, lattice contraction favours the high spin state. {yields} The stabilisation of the high spin state is explained by spin-spin interactions.

  5. Solids Far from Equilibrium

    NASA Astrophysics Data System (ADS)

    Godrèche, C.

    2011-03-01

    Preface; 1. Shape and growth of crystals P. Nozières; 2. Instabilities of planar solidification fronts B. Caroli, C. Caroli and B. Roulet; 3. An introduction to the kinetics of first-order phase transition J. S. Langer; 4. Dendritic growth and related topics Y. Pomeau and M. Ben Amar; 5. Growth and aggregation far from equilibrium L. M. Sander; 6. Kinetic roughening of growing surfaces J. Krug and H. Spohn; Acknowledgements; References; Index.

  6. Molecular equilibrium with condensation

    NASA Astrophysics Data System (ADS)

    Sharp, C. M.; Huebner, W. F.

    1990-02-01

    Minimization of the Gibbs energy of formation for species of chemical elements and compounds in their gas and condensed phases determines their relative abundances in a mixture in chemical equilibrium. The procedure is more general and more powerful than previous abundance determinations in multiphase astrophysical mixtures. Some results for astrophysical equations of state are presented, and the effects of condensation on opacity are briefly indicated.

  7. Statistical equilibrium calculations for silicon in early-type model stellar atmospheres

    NASA Technical Reports Server (NTRS)

    Kamp, L. W.

    1976-01-01

    Line profiles of 36 multiplets of silicon (Si) II, III, and IV were computed for a grid of model atmospheres covering the range from 15,000 to 35,000 K in effective temperature and 2.5 to 4.5 in log (gravity). The computations involved simultaneous solution of the steady-state statistical equilibrium equations for the populations and of the equation of radiative transfer in the lines. The variables were linearized, and successive corrections were computed until a minimal accuracy of 1/1000 in the line intensities was reached. The common assumption of local thermodynamic equilibrium (LTE) was dropped. The model atmospheres used also were computed by non-LTE methods. Some effects that were incorporated into the calculations were the depression of the continuum by free electrons, hydrogen and ionized helium line blocking, and auto-ionization and dielectronic recombination, which later were found to be insignificant. Use of radiation damping and detailed electron (quadratic Stark) damping constants had small but significant effects on the strong resonance lines of Si III and IV. For weak and intermediate-strength lines, large differences with respect to LTE computations, the results of which are also presented, were found in line shapes and strengths. For the strong lines the differences are generally small, except for the models at the hot, low-gravity extreme of our range. These computations should be useful in the interpretation of the spectra of stars in the spectral range B0-B5, luminosity classes III, IV, and V.

  8. Equilibrium Electroconvective Instability

    NASA Astrophysics Data System (ADS)

    Rubinstein, I.; Zaltzman, B.

    2015-03-01

    Since its prediction 15 years ago, hydrodynamic instability in concentration polarization at a charge-selective interface has been attributed to nonequilibrium electro-osmosis related to the extended space charge which develops at the limiting current. This attribution had a double basis. On the one hand, it has been recognized that neither equilibrium electro-osmosis nor bulk electroconvection can yield instability for a perfectly charge-selective solid. On the other hand, it has been shown that nonequilibrium electro-osmosis can. The first theoretical studies in which electro-osmotic instability was predicted and analyzed employed the assumption of perfect charge selectivity for the sake of simplicity and so did the subsequent studies of various time-dependent and nonlinear features of electro-osmotic instability. In this Letter, we show that relaxing the assumption of perfect charge selectivity (tantamount to fixing the electrochemical potential of counterions in the solid) allows for the equilibrium electroconvective instability. In addition, we suggest a simple experimental test for determining the true, either equilibrium or nonequilibrium, origin of instability in concentration polarization.

  9. Tuning of the copper-thioether bond in tetradentate N₃S(thioether) ligands; O-O bond reductive cleavage via a [Cu(II)₂(μ-1,2-peroxo)]²⁺/[Cu(III)₂(μ-oxo)₂]²⁺ equilibrium.

    PubMed

    Kim, Sunghee; Ginsbach, Jake W; Billah, A Imtiaz; Siegler, Maxime A; Moore, Cathy D; Solomon, Edward I; Karlin, Kenneth D

    2014-06-04

    Current interest in copper/dioxygen reactivity includes the influence of thioether sulfur ligation, as it concerns the formation, structures, and properties of derived copper-dioxygen complexes. Here, we report on the chemistry of {L-Cu(I)}2-(O2) species L = (DMM)ESE, (DMM)ESP, and (DMM)ESDP, which are N3S(thioether)-based ligands varied in the nature of a substituent on the S atom, along with a related N3O(ether) (EOE) ligand. Cu(I) and Cu(II) complexes have been synthesized and crystallographically characterized. Copper(I) complexes are dimeric in the solid state, [{L-Cu(I)}2](B(C6F5)4)2, however are shown by diffusion-ordered NMR spectroscopy to be mononuclear in solution. Copper(II) complexes with a general formulation [L-Cu(II)(X)](n+) {X = ClO4(-), n = 1, or X = H2O, n = 2} exhibit distorted square pyramidal coordination geometries and progressively weaker axial thioether ligation across the series. Oxygenation (-130 °C) of {((DMM)ESE)Cu(I)}(+) results in the formation of a trans-μ-1,2-peroxodicopper(II) species [{((DMM)ESE)Cu(II)}2(μ-1,2-O2(2-))](2+) (1(P)). Weakening the Cu-S bond via a change to the thioether donor found in (DMM)ESP leads to the initial formation of [{((DMM)ESP)Cu(II)}2(μ-1,2-O2(2-))](2+) (2(P)) that subsequently isomerizes to a bis-μ-oxodicopper(III) complex, [{((DMM)ESP)Cu(III)}2(μ-O(2-))2](2+) (2(O)), with 2(P) and 2(O) in equilibrium (K(eq) = [2(O)]/[2(P)] = 2.6 at -130 °C). Formulations for these Cu/O2 adducts were confirmed by resonance Raman (rR) spectroscopy. This solution mixture is sensitive to the addition of methylsulfonate, which shifts the equilibrium toward the bis-μ-oxo isomer. Further weakening of the Cu-S bond in (DMM)ESDP or substitution with an ether donor in (DMM)EOE leads to only a bis-μ-oxo species (3(O) and 4(O), respectively). Reactivity studies indicate that the bis-μ-oxodicopper(III) species (2(O), 3(O)) and not the trans-peroxo isomers (1(P) and 2(P)) are responsible for the observed ligand

  10. Structural design using equilibrium programming

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    1992-01-01

    Multiple nonlinear programming methods are combined in the method of equilibrium programming. Equilibrium programming theory has been appied to problems in operations research, and in the present study it is investigated as a framework to solve structural design problems. Several existing formal methods for structural optimization are shown to actually be equilibrium programming methods. Additionally, the equilibrium programming framework is utilized to develop a new structural design method. Selected computational results are presented to demonstrate the methods.

  11. Biological Effects of Ionizing Radiation

    DOE R&D Accomplishments Database

    Ingram, M.; Mason, W. B.; Whipple, G. H.; Howland, J. W.

    1952-04-07

    This report presents a review of present knowledge and concepts of the biological effects of ionizing radiations. Among the topics discussed are the physical and chemical effects of ionizing radiation on biological systems, morphological and physiological changes observed in biological systems subjected to ionizing radiations, physiological changes in the intact animal, latent changes following exposure of biological systems to ionizing radiations, factors influencing the biological response to ionizing radiation, relative effects of various ionizing radiations, and biological dosimetry.

  12. Thermochemistry of Silicate Speciation in Aqueous Sodium Silicate Solutions: Ionization and Polymerization of Small Silicate Ion

    DTIC Science & Technology

    1993-07-12

    reasonable success, but a number of simplifications were used. For instance, the polymerization equilibrium constants were assumed to be independent of...Another weakness lies in the functionality assumed for the ionization equilibrium constants . As will be discussed below, experimental data that the free...characterize silicate species in fairly complex alkaline silicate solutions and thereby to estimate a large number of equilibrium constants [27,28

  13. Local thermodynamic equilibrium in rapidly heated high energy density plasmas

    SciTech Connect

    Aslanyan, V.; Tallents, G. J.

    2014-06-15

    Emission spectra and the dynamics of high energy density plasmas created by optical and Free Electron Lasers (FELs) depend on the populations of atomic levels. Calculations of plasma emission and ionization may be simplified by assuming Local Thermodynamic Equilibrium (LTE), where populations are given by the Saha-Boltzmann equation. LTE can be achieved at high densities when collisional processes are much more significant than radiative processes, but may not be valid if plasma conditions change rapidly. A collisional-radiative model has been used to calculate the times taken by carbon and iron plasmas to reach LTE at varying densities and heating rates. The effect of different energy deposition methods, as well as Ionization Potential Depression are explored. This work shows regimes in rapidly changing plasmas, such as those created by optical lasers and FELs, where the use of LTE is justified, because timescales for plasma changes are significantly longer than the times needed to achieve an LTE ionization balance.

  14. Thermal equilibrium of goats.

    PubMed

    Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G

    2016-05-01

    The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation.

  15. Equilibrium properties of chemically reacting gases

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The equilibrium energy, enthalpy, entropy, specific heat at constant volume and constant pressure, and the equation of state of the gas are all derived for chemically reacting gas mixtures in terms of the compressibility, the mol fractions, the thermodynamic properties of the pure gas components, and the change in zero point energy due to reaction. Results are illustrated for a simple diatomic dissociation reaction and nitrogen is used as an example. Next, a gas mixture resulting from combined diatomic dissociation and atomic ionization reactions is treated and, again, nitrogen is used as an example. A short discussion is given of the additional complexities involved when precise solutions for high-temperature air are desired, including effects caused by NO produced in shuffle reactions and by other trace species formed from CO2, H2O and Ar found in normal air.

  16. Systems biology and the origins of life? part II. Are biochemical networks possible ancestors of living systems? networks of catalysed chemical reactions: non-equilibrium, self-organization and evolution.

    PubMed

    Ricard, Jacques

    2010-01-01

    The present article discusses the possibility that catalysed chemical networks can evolve. Even simple enzyme-catalysed chemical reactions can display this property. The example studied is that of a two-substrate proteinoid, or enzyme, reaction displaying random binding of its substrates A and B. The fundamental property of such a system is to display either emergence or integration depending on the respective values of the probabilities that the enzyme has bound one of its substrate regardless it has bound the other substrate, or, specifically, after it has bound the other substrate. There is emergence of information if p(A)>p(AB) and p(B)>p(BA). Conversely, if p(A)equilibrium. Moreover, in such systems, emergence results in an increase of the energy level of the ternary EAB complex that becomes closer to the transition state of the reaction, thus leading to the enhancement of catalysis. Hence a drift from quasi-equilibrium is, to a large extent, responsible for the production of information and enhancement of catalysis. Non-equilibrium of these simple systems must be an important aspect that leads to both self-organization and evolutionary processes. These conclusions can be extended to networks of catalysed chemical reactions. Such networks are, in fact, networks of networks, viz. meta-networks. In this formal representation, nodes are chemical reactions catalysed by poorly specific proteinoids, and links can be identified to the transport of metabolites from proteinoid to proteinoid. The concepts of integration and emergence can be applied to such situations and can be used to define the identity of these networks and therefore their evolution. Defined as open non-equilibrium structures, such biochemical networks possess two remarkable properties: (1) the probability of occurrence of their nodes is dependant upon the input and output of matter

  17. Electron ionization of acetylene.

    PubMed

    King, Simon J; Price, Stephen D

    2007-11-07

    Relative partial ionization cross sections and precursor specific relative partial ionization cross sections for fragment ions formed by electron ionization of C2H2 have been measured using time-of-flight mass spectrometry coupled with a 2D ion-ion coincidence technique. We report data for the formation of H+, H+2, C2+, C+/C2+ 2, CH+/C2H+2, CH+2, C+2, and C2H+ relative to the formation of C2H+2, as a function of ionizing electron energy from 30-200 eV. While excellent agreement is found between our data and one set of previously published absolute partial ionization cross sections, some discrepancies exist between the results presented here and two other recent determinations of these absolute partial ionization cross sections. We attribute these differences to the loss of some translationally energetic fragment ions in these earlier studies. Our relative precursor-specific partial ionization cross sections enable us, for the first time, to quantify the contribution to the yield of each fragment ion from single, double, and triple ionization. Analysis shows that at 50 eV double ionization contributes 2% to the total ion yield, increasing to over 10% at an ionizing energy of 100 eV. From our ion-ion coincidence data, we have derived branching ratios for charge separating dissociations of the acetylene dication. Comparison of our data to recent ab initio/RRKM calculations suggest that close to the double ionization potential C2H2+2 dissociates predominantly on the ground triplet potential energy surface (3Sigma*g) with a much smaller contribution from dissociation via the lowest singlet potential energy surface (1Delta g). Measurements of the kinetic energy released in the fragmentation reactions of C2H2+2 have been used to obtain precursor state energies for the formation of product ion pairs, and are shown to be in good agreement with available experimental data and with theory.

  18. Ionized Gaseous Nebulae Abundance Determination from the Direct Method

    NASA Astrophysics Data System (ADS)

    Pérez-Montero, Enrique

    2017-04-01

    This tutorial explains the procedure used to analyze an optical emission-line spectrum produced by a nebula ionized by massive star formation. Particularly, the methodology used to derive physical properties, such as electron density and temperature, and the ionic abundances of the most representative elements whose emission lines are present in the optical spectrum is described. The main focus is on the direct method, which is based on the measurement of the electron temperature to derive the abundances, given that the ionization and thermal equilibrium of the ionized gas is dominated by the metallicity. The ionization correction factors used to obtain total abundances from the abundances of some of their ions are also given. Finally, some strong-line methods to derive abundances are described. Such methods are used when no estimation of the temperature can be derived, but which can be consistent with the direct method if they are empirically calibrated.

  19. Fluctuation theorem for constrained equilibrium systems.

    PubMed

    Gilbert, Thomas; Dorfman, J Robert

    2006-02-01

    We discuss the fluctuation properties of equilibrium chaotic systems with constraints such as isokinetic and Nosé-Hoover thermostats. Although the dynamics of these systems does not typically preserve phase-space volumes, the average phase-space contraction rate vanishes, so that the stationary states are smooth. Nevertheless, finite-time averages of the phase-space contraction rate have nontrivial fluctuations which we show satisfy a simple version of the Gallavotti-Cohen fluctuation theorem, complementary to the usual fluctuation theorem for nonequilibrium stationary states and appropriate to constrained equilibrium states. Moreover, we show that these fluctuations are distributed according to a Gaussian curve for long enough times. Three different systems are considered here: namely, (i) a fluid composed of particles interacting with Lennard-Jones potentials, (ii) a harmonic oscillator with Nosé-Hoover thermostatting, and (iii) a simple hyperbolic two-dimensional map.

  20. Fluctuation theorem for constrained equilibrium systems

    NASA Astrophysics Data System (ADS)

    Gilbert, Thomas; Dorfman, J. Robert

    2006-02-01

    We discuss the fluctuation properties of equilibrium chaotic systems with constraints such as isokinetic and Nosé-Hoover thermostats. Although the dynamics of these systems does not typically preserve phase-space volumes, the average phase-space contraction rate vanishes, so that the stationary states are smooth. Nevertheless, finite-time averages of the phase-space contraction rate have nontrivial fluctuations which we show satisfy a simple version of the Gallavotti-Cohen fluctuation theorem, complementary to the usual fluctuation theorem for nonequilibrium stationary states and appropriate to constrained equilibrium states. Moreover, we show that these fluctuations are distributed according to a Gaussian curve for long enough times. Three different systems are considered here: namely, (i) a fluid composed of particles interacting with Lennard-Jones potentials, (ii) a harmonic oscillator with Nosé-Hoover thermostatting, and (iii) a simple hyperbolic two-dimensional map.

  1. Search for a non-equilibrium plasma in the merging galaxy cluster Abell 754

    NASA Astrophysics Data System (ADS)

    Inoue, Shota; Hayashida, Kiyoshi; Ueda, Shutaro; Nagino, Ryo; Tsunemi, Hiroshi; Koyama, Katsuji

    2016-06-01

    Abell 754 is a galaxy cluster in which an ongoing merger is evident on the plane of the sky, from the southeast to the northwest. We study the spatial variation of the X-ray spectra observed with Suzaku along the merging direction, centering on the Fe Ly α/Fe He α line ratio to search for possible deviation from ionization equilibrium. Fitting with a single-temperature collisional non-equilibrium plasma model shows that the electron temperature increases from the southeast to the northwest. The ionization parameter is consistent with that in equilibrium (net > 1013 s cm-3) except for the specific region with the highest temperature (kT=13.3_{-1.1}^{+1.4}keV) where n_et=10^{11.6_{-1.7}^{+0.6}}s cm-3. The elapsed time from the plasma heating estimated from the ionization parameter is 0.36-76 Myr at the 90% confidence level. This timescale is quite short but consistent with the traveling time of a shock to pass through that region. We thus interpret that the non-equilibrium ionization plasma in Abell 754 observed is a remnant of the shock heating in the merger process. However, we note that the X-ray spectrum of the specific region where the non-equilibrium is found can also be fitted with a collisional ionization plasma model with two temperatures, low kT=4.2^{+4.2}_{-1.5}keV and very high kT >19.3 keV. The very high temperature component is alternatively fitted with a power-law model. Either of these spectral models is interpreted as a consequence of the ongoing merger process as in the case of the non-equilibrium ionization plasma.

  2. Alkali metal ionization detector

    DOEpatents

    Bauerle, James E.; Reed, William H.; Berkey, Edgar

    1978-01-01

    Variations in the conventional filament and collector electrodes of an alkali metal ionization detector, including the substitution of helical electrode configurations for either the conventional wire filament or flat plate collector; or, the substitution of a plurality of discrete filament electrodes providing an in situ capability for transferring from an operationally defective filament electrode to a previously unused filament electrode without removing the alkali metal ionization detector from the monitored environment. In particular, the helical collector arrangement which is coaxially disposed about the filament electrode, i.e. the thermal ionizer, provides an improved collection of positive ions developed by the filament electrode. The helical filament design, on the other hand, provides the advantage of an increased surface area for ionization of alkali metal-bearing species in a monitored gas environment as well as providing a relatively strong electric field for collecting the ions at the collector electrode about which the helical filament electrode is coaxially positioned. Alternatively, both the filament and collector electrodes can be helical. Furthermore, the operation of the conventional alkali metal ionization detector as a leak detector can be simplified as to cost and complexity, by operating the detector at a reduced collector potential while maintaining the sensitivity of the alkali metal ionization detector adequate for the relatively low concentration of alkali vapor and aerosol typically encountered in leak detection applications.

  3. "Magic" Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The "magic" that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers.

  4. "Magic" Ionization Mass Spectrometry.

    PubMed

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The “magic” that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers.

  5. Equilibrium of nematic vesicles

    NASA Astrophysics Data System (ADS)

    Napoli, Gaetano; Vergori, Luigi

    2010-11-01

    A variational scheme is proposed which allows the derivation of a concise and elegant formulation of the equilibrium equations for closed fluid membranes, endowed with a nematic microstructure. The nematic order is described by an in-plane nematic director and a degree of orientation, as customary in the theory of uniaxial nematics. The only constitutive ingredient in this scheme is a free-energy density which depends on the vesicle geometry and order parameters. The stress and the couple stress tensors related to this free-energy density are provided. As an application of the proposed scheme, a certain number of special theories are deduced: soap bubbles, lipid vesicles, chiral and achiral nematic membranes, and nematics on curved substrates.

  6. Statistical physics ""Beyond equilibrium

    SciTech Connect

    Ecke, Robert E

    2009-01-01

    The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.

  7. Non-local thermodynamic equilibrium effects on isentropic coefficient in argon and helium thermal plasmas

    SciTech Connect

    Sharma, Rohit; Singh, Kuldip

    2014-03-15

    In the present work, two cases of thermal plasma have been considered; the ground state plasma in which all the atoms and ions are assumed to be in the ground state and the excited state plasma in which atoms and ions are distributed over various possible excited states. The variation of Zγ, frozen isentropic coefficient and the isentropic coefficient with degree of ionization and non-equilibrium parameter θ(= T{sub e}/T{sub h}) has been investigated for the ground and excited state helium and argon plasmas at pressures 1 atm, 10 atm, and 100 atm in the temperature range from 6000 K to 60 000 K. For a given value of non-equilibrium parameter, the relationship of Zγ with degree of ionization does not show any dependence on electronically excited states in helium plasma whereas in case of argon plasma this dependence is not appreciable till degree of ionization approaches 2. The minima of frozen isentropic coefficient shifts toward lower temperature with increase of non-equilibrium parameter for both the helium and argon plasmas. The lowering of non-equilibrium parameter decreases the frozen isentropic coefficient more emphatically in helium plasma at high pressures in comparison to argon plasma. The increase of pressure slightly reduces the ionization range over which isentropic coefficient almost remains constant and it does not affect appreciably the dependence of isentropic coefficient on non-equilibrium parameter.

  8. Fuel cell with ionization membrane

    NASA Technical Reports Server (NTRS)

    Hartley, Frank T. (Inventor)

    2007-01-01

    A fuel cell is disclosed comprising an ionization membrane having at least one area through which gas is passed, and which ionizes the gas passing therethrough, and a cathode for receiving the ions generated by the ionization membrane. The ionization membrane may include one or more openings in the membrane with electrodes that are located closer than a mean free path of molecules within the gas to be ionized. Methods of manufacture are also provided.

  9. Equilibrium Policy Proposals with Abstentions.

    DTIC Science & Technology

    1981-05-01

    AB I I I EQUILIBRIUM POLICY PROPOSALS WITH ABSTENTIONS* by Peter Coughlin** 1. Introduction Spatial analyses of economic policy formation in elections...alternative in S at which there is a local equilibrium when the incumbent must defend the status quo. 5. Applications to Related Spatial Voting Models...York: Holt, Rinehart and Winston. Hestenes, M. [19751, Optimization Theoy, New York: Wiley. Hinich, M. [1977], " Equilibrium in Spatial Voting: The Median

  10. Grinding kinetics and equilibrium states

    NASA Technical Reports Server (NTRS)

    Opoczky, L.; Farnady, F.

    1984-01-01

    The temporary and permanent equilibrium occurring during the initial stage of cement grinding does not indicate the end of comminution, but rather an increased energy consumption during grinding. The constant dynamic equilibrium occurs after a long grinding period indicating the end of comminution for a given particle size. Grinding equilibrium curves can be constructed to show the stages of comminution and agglomeration for certain particle sizes.

  11. THE EXTENDED He IIλ4686-EMITTING REGION IN IZw 18 UNVEILED: CLUES FOR PECULIAR IONIZING SOURCES

    SciTech Connect

    Kehrig, C.; Vílchez, J. M.; Pérez-Montero, E.; Iglesias-Páramo, J.; Bayo, F. M.; Kunth, D.; Durret, F.

    2015-03-10

    New integral field spectroscopy has been obtained for IZw 18, the nearby lowest-metallicity galaxy considered to be our best local analog of systems forming at high redshift (z). Here we report the spatially resolved spectral map of the nebular He ii λ4686 emission in IZw 18, from which we derived for the first time its total He ii-ionizing flux. Nebular He ii emission implies the existence of a hard radiation field. He ii-emitters are observed to be more frequent among high-z galaxies than for local objects. Therefore, investigating the He ii-ionizing source(s) in IZw 18 may reveal the ionization processes at high z. He ii emission in star-forming galaxies has been suggested to be mainly associated with Wolf–Rayet stars (WRs), but WRs cannot satisfactorily explain the He ii-ionization at all times, particularly at the lowest metallicities. Shocks from supernova remnants, or X-ray binaries, have been proposed as additional potential sources of He ii-ionizing photons. Our data indicate that conventional He ii-ionizing sources (WRs, shocks, X-ray binaries) are not sufficient to explain the observed nebular He iiλ4686 emission in IZw 18. We find that the He ii-ionizing radiation expected from models for either low-metallicity super-massive O stars or rotating metal-free stars could account for the He ii-ionization budget measured, while only the latter models could explain the highest values of He iiλ4686/Hβ observed. The presence of such peculiar stars in IZw 18 is suggestive and further investigation in this regard is needed. This letter highlights that some of the clues of the early universe can be found here in our cosmic backyard.

  12. Atmospheric Ionization Measurements

    NASA Astrophysics Data System (ADS)

    Slack, Thomas; Mayes, Riley

    2015-04-01

    The measurement of atmospheric ionization is a largely unexplored science that potentially holds the key to better understanding many different geophysical phenomena through this new and valuable source of data. Through the LaACES program, which is funded by NASA through the Louisiana Space Consortium, students at Loyola University New Orleans have pursued the goal of measuring high altitude ionization for nearly three years, and were the first to successfully collect ionization data at altitudes over 30,000 feet using a scientific weather balloon flown from the NASA Columbia Scientific Ballooning Facility in Palestine, TX. In order to measure atmospheric ionization, the science team uses a lightweight and highly customized sensor known as a Gerdien condenser. Among other branches of science the data is already being used for, such as the study of aerosol pollution levels in the atmosphere, the data may also be useful in meteorology and seismology. Ionization data might provide another variable with which to predict weather or seismic activity more accurately and further in advance. Thomas Slack and Riley Mayes have served as project managers for the experiment, and have extensive knowledge of the experiment from the ground up. LaSPACE Louisiana Space Consortium.

  13. Napoleon Is in Equilibrium

    NASA Astrophysics Data System (ADS)

    Phillips, Rob

    2015-03-01

    It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.

  14. Napoleon Is in Equilibrium.

    PubMed

    Phillips, Rob

    2015-03-01

    It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.

  15. Heater-induced ionization inferred from spectrometric airglow measurements

    NASA Astrophysics Data System (ADS)

    Hysell, D. L.; Miceli, R. J.; Varney, R. H.; Schlatter, N.; Huba, J. D.

    2013-12-01

    Spectrographic airglow measurements were made during an ionospheric modification experiment at HAARP on March 12, 2013. Artificial airglow enhancements at 427.8, 557.7, 630.0, 777.4, and 844.6 nm were observed. On the basis of these emissions and using a methodology based on the method of Backus and Gilbert [1968, 1970], we estimate the suprathermal electron population and the subsequent equilibrium electron density profile, including contributions from electron impact ionization. We find that the airglow is consistent with significant induced ionization in view of the spatial intermittency of the airglow.

  16. Ionization nebulae surrounding supersoft X-ray sources

    NASA Technical Reports Server (NTRS)

    Rappaport, S.; Chiang, E.; Kallman, T.; Malina, R.

    1994-01-01

    In this work we carry out a theoretical investigation of a new type of astrophysical gaseous nebula, viz., ionized regions surrounding supersoft X-ray sources. Supersoft X-ray sources, many of which have characteristic luminosities of approximately 10(exp 37)-(10(exp 38) ergs/s and effective temperatures of approximately 4 x 10(exp 5) K, were first discovered with the Einstein Observatory. These sources have now been shown to constitute a distinct class of X-ray source and are being found in substantial numbers with ROSAT. We predict that these sources should be surrounded by regions of ionized hydrogen and helium with properties that are distinct from other astrophysical gaseous nebulae. We present caluations of the ionization and temperature structure of these ionization nebulae, as well as the expected optical line fluxes. The ionization profiles for both hydrogen and helium exhibit substantially more gradual transitions from the ionized to the unionized state than is the case for conventional H II regions. The calculated optical line intensitites are presented as absolute fluxes from sources in the Large Magellanic Cloud and as fractions of the central source luminosity. We find, in particular, that (O III) lambda 5008 and He II lambda 4686 are especially prominent in these ionization nebulae as compared to other astrophysical nebulae. We propose that searches for supersoft X-rays via their characteristic optical lines may reveal sources in regions where the soft X-rays are nearly completely absorbed by the interstellar medium.

  17. Rapid-Equilibrium Enzyme Kinetics

    ERIC Educational Resources Information Center

    Alberty, Robert A.

    2008-01-01

    Rapid-equilibrium rate equations for enzyme-catalyzed reactions are especially useful because if experimental data can be fit by these simpler rate equations, the Michaelis constants can be interpreted as equilibrium constants. However, for some reactions it is necessary to use the more complicated steady-state rate equations. Thermodynamics is…

  18. Equilibrium states for hyperbolic potentials

    NASA Astrophysics Data System (ADS)

    Ramos, Vanessa; Viana, Marcelo

    2017-02-01

    We prove the existence of finitely many ergodic equilibrium states for local homeomorphisms and hyperbolic potentials. We also deal with partially hyperbolic skew-products over non-uniformly expanding maps with uniform contraction on the fibre. For these systems we prove the existence and finiteness of the equilibrium states associated with a class of Hölder continuous potentials.

  19. Thermodynamic efficiency out of equilibrium

    NASA Astrophysics Data System (ADS)

    Sivak, David; Crooks, Gavin

    2011-03-01

    Molecular-scale machines typically operate far from thermodynamic equilibrium, limiting the applicability of equilibrium statistical mechanics to understand their efficiency. Thermodynamic length analysis relates a non-equilibrium property (dissipation) to equilibrium properties (equilibrium fluctuations and their relaxation time). Herein we demonstrate that the thermodynamic length framework follows directly from the assumptions of linear response theory. Uniting these two frameworks provides thermodynamic length analysis a firmer statistical mechanical grounding, and equips linear response theory with a metric structure to facilitate the prediction and discovery of optimal (minimum dissipation) paths in complicated free energy landscapes. To explore the applicability of this theoretical framework, we examine its accuracy for simple bistable systems, parametrized to model single-molecule force-extension experiments. Through analytic derivation of the equilibrium fluctuations and numerical calculation of the dissipation and relaxation time, we verify that thermodynamic length analysis (though derived in a near-equilibrium limit) provides a strikingly good approximation even far from equilibrium, and thus provides a useful framework for understanding molecular motor efficiency.

  20. Ambient ionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Lebedev, A. T.

    2015-07-01

    Ambient ionization mass spectrometry emerged as a new scientific discipline only about ten years ago. A considerable body of information has been reported since that time. Keeping the sensitivity, performance and informativity of classical mass spectrometry methods, the new approach made it possible to eliminate laborious sample preparation procedures and triggered the development of miniaturized instruments to work directly in the field. The review concerns the theoretical foundations and design of ambient ionization methods. Their advantages and drawbacks, as well as prospects for application in chemistry, biology, medicine, environmetal analysis, etc., are discussed. The bibliography includes 194 references.

  1. Surface-active agents from the group of polyoxyethylated glycerol esters of fatty acids. Part III. Surface activity and solubilizing properties of the products of oxyethylation of lard (Adeps suillus, F.P. VIII) in the equilibrium system in relation to lipophilic therapeutic agents (class II and III of BCS).

    PubMed

    Nachajski, Michał J; Piotrowska, Jowita B; Kołodziejczyk, Michał K; Lukosek, Marek; Zgoda, Marian M

    2013-01-01

    Research was conducted into the solubilization processes of diclofenac, ibuprofen, ketoprofen and naproxen in equilibrium conditions in the environment of aqueous solutions of oxyethylated lard's fractions (Adeps suillus, Polish Pharmacopoeia VIII). The determined thermodynamic (cmc, deltaGm(0)) and hydrodynamic (R0, R(obs), omega, M(eta)) parameters characterizing the micelle of the solubilizer and the adduct demonstrate that lipophilic therapeutic agents are adsorbed in a palisade structure of the micelle due to a topologically created so-called "lipophilic adsorption pocket". This shows that the hydrophilicity of the micelle and the adsorption layer decreases at the phase boundary, which is confirmed by the calculated values of coefficients A(m) and r x (a). The results obtained indicate the possibility of making use of the class of non-ionic surfactants which are not ksenobiotics for the modification of the profile of solid oral dosage forms with lipophilic therapeutic agents from the II class of Biopharmaceutics Classification System (BCS).

  2. Equilibrium Shape of Colloidal Crystals.

    PubMed

    Sehgal, Ray M; Maroudas, Dimitrios

    2015-10-27

    Assembling colloidal particles into highly ordered configurations, such as photonic crystals, has significant potential for enabling a broad range of new technologies. Facilitating the nucleation of colloidal crystals and developing successful crystal growth strategies require a fundamental understanding of the equilibrium structure and morphology of small colloidal assemblies. Here, we report the results of a novel computational approach to determine the equilibrium shape of assemblies of colloidal particles that interact via an experimentally validated pair potential. While the well-known Wulff construction can accurately capture the equilibrium shape of large colloidal assemblies, containing O(10(4)) or more particles, determining the equilibrium shape of small colloidal assemblies of O(10) particles requires a generalized Wulff construction technique which we have developed for a proper description of equilibrium structure and morphology of small crystals. We identify and characterize fully several "magic" clusters which are significantly more stable than other similarly sized clusters.

  3. Fossil Ionized Bubbles around Dead Quasars during Reionization

    NASA Astrophysics Data System (ADS)

    Furlanetto, Steven R.; Haiman, Zoltán; Oh, S. Peng

    2008-10-01

    One of the most dramatic signatures of the reionization era may be the enormous ionized bubbles around luminous quasars (with radii reaching ~40 comoving Mpc), which may survive as "fossil" ionized regions long after their source shuts off. Here we study how the inhomogeneous intergalactic medium (IGM) evolves inside such fossils. The average recombination rate declines rapidly with time, and the brief quasar episode significantly increases the mean free path inside the fossil bubbles. As a result, even a weak ionizing background generated by galaxies inside the fossil can maintain it in a relatively highly and uniformly ionized state. For example, galaxies that would ionize 20%-30% of hydrogen in a random patch of the IGM can maintain 80%-90% ionization inside the fossil for a duration much longer than the average recombination time in the IGM. Quasar fossils at zlesssim 10 thus retain their identity for nearly a Hubble time and appear "gray," distinct from both the average IGM (which has a "Swiss cheese" ionization topology and a lower mean ionized fraction) and the fully ionized bubbles around active quasars. More distant fossils, at zgtrsim 10, have a weaker galaxy-generated ionizing background and a higher gas density, so they can attain a Swiss cheese topology similar to the rest of the IGM, but with a smaller contrast between the ionized bubbles and the partially neutral regions separating them. Analogous He III fossils should exist around the epoch of He II/He III reionization at z ~ 3, although rapid recombination inside the He III fossils is more common. Our model of inhomogeneous recombination also applies to "double-reionization" models and shows that a nonmonotonic reionization history is even more unlikely than previously thought.

  4. Ultrafast molecular dynamics of dissociative ionization in OCS probed by soft x-ray synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Ramadhan, Ali; Wales, Benji; Karimi, Reza; Gauthier, Isabelle; MacDonald, Michael; Zuin, Lucia; Sanderson, Joe

    2016-11-01

    Soft x-rays (90-173 eV) from the 3rd generation Canadian Light Source have been used in conjunction with a multi coincidence time and position sensitive detection apparatus to observe the dissociative ionization of OCS. By varying the x-ray energy we can compare dynamics from direct and Auger ionization processes, and access ionization channels which result in two or three body breakup, from 2+ to 4+ ionization states. We make several new observations for the 3+ state such as kinetic energy release limited by photon energy, and using Dalitz plots we can see evidence of timescale effects between the direct and Auger ionization process for the first time. Finally, using Dalitz plots for OCS4+ we observe for the first time that breakup involving an O2+ ion can only proceed from out of equilibrium nuclear arrangement for S(2p) Auger ionization.

  5. Ionizing radiation and life.

    PubMed

    Dartnell, Lewis R

    2011-01-01

    Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from the flux of cosmic radiation and the various effects on a biosphere of violent but rare astrophysical events such as supernovae and gamma-ray bursts. The influences of CR can also be duplicitous, such as limiting the survival of surface life on Mars while potentially supporting a subsurface biosphere in the ocean of Europa. This review highlights the common thread that ionizing radiation forms between the disparate component disciplines of astrobiology.

  6. Alkali ionization detector

    DOEpatents

    Hrizo, John; Bauerle, James E.; Witkowski, Robert E.

    1982-01-01

    A calibration filament containing a sodium-bearing compound is included in combination with the sensing filament and ion collector plate of a sodium ionization detector to permit periodic generation of sodium atoms for the in-situ calibration of the detector.

  7. Ionizing radiation from tobacco

    SciTech Connect

    Westin, J.B.

    1987-04-24

    Accidents at nuclear power facilities seem inevitably to bring in their wake a great deal of concern on the part of both the lay and medical communities. Relatively little attention, however, is given to what may be the largest single worldwide source of effectively carcinogenic ionizing radiation: tobacco. The risk of cancer deaths from the Chernobyl disaster are tobacco smoke is discussed.

  8. Microchip sonic spray ionization.

    PubMed

    Pól, Jaroslav; Kauppila, Tiina J; Haapala, Markus; Saarela, Ville; Franssila, Sami; Ketola, Raimo A; Kotiaho, Tapio; Kostiainen, Risto

    2007-05-01

    The first microchip version of sonic spray ionization (SSI) as an atmospheric pressure ionization source for mass spectrometry (MS) is presented. The microchip used for SSI has recently been developed in our laboratory, and it has been used before as an atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) source. Now the ionization is achieved simply by applying high (sonic) speed nebulizer gas, without heat, corona discharge, or high voltage. The microchip SSI was applied to the analysis of tetra-N-butylammonium, verapamil, testosterone, angiotensin I, and ibuprofen. The limits of detection were in the range of 15 nM to 4 microM. The technique was found to be highly dependent on the position of the chip toward the mass spectrometer inlet, and on the gas and the sample solution flow rates. The microchip SSI provided dynamic linearity following a pattern similar to that used with electrospray, good quantitative repeatability (RSD=16%), and long-term signal stability.

  9. Chemical protection against ionizing radiation. Final report

    SciTech Connect

    Livesey, J.C.; Reed, D.J.; Adamson, L.F.

    1984-08-01

    The scientific literature on radiation-protective drugs is reviewed. Emphasis is placed on the mechanisms involved in determining the sensitivity of biological material to ionizing radiation and mechanisms of chemical radioprotection. In Section I, the types of radiation are described and the effects of ionizing radiation on biological systems are reviewed. The effects of ionizing radiation are briefly contrasted with the effects of non-ionizing radiation. Section II reviews the contributions of various natural factors which influence the inherent radiosensitivity of biological systems. Inlcuded in the list of these factors are water, oxygen, thiols, vitamins and antioxidants. Brief attention is given to the model describing competition between oxygen and natural radioprotective substances (principally, thiols) in determining the net cellular radiosensitivity. Several theories of the mechanism(s) of action of radioprotective drugs are described in Section III. These mechanisms include the production of hypoxia, detoxication of radiochemical reactive species, stabilization of the radiobiological target and the enhancement of damage repair processes. Section IV describes the current strategies for the treatment of radiation injury. Likely areas in which fruitful research might be performed are described in Section V. 495 references.

  10. Quantum statistical mechanics of dense partially ionized hydrogen.

    NASA Technical Reports Server (NTRS)

    Dewitt, H. E.; Rogers, F. J.

    1972-01-01

    The theory of dense hydrogenic plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. In this theory, the effective interaction between any two charges is the dynamic screened potential obtained from the plasma dielectric function. We make the static approximation; and we carry out detailed numerical calculations with the bound and scattering states of the Debye potential, using the Beth-Uhlenbeck form of the quantum second virial coefficient. We compare our results with calculations from the Saha equation.

  11. Electron-impact Ionization Of Li2 And Li+2

    SciTech Connect

    Colgan, James P

    2008-01-01

    Electron-impact ionization cross sections for Li{sub 2} and Li{sup +}{sub 2} are calculated using a configuration-average distorted-wave method. Bound orbitals for the molecule and its ions are calculated using a single configuration self-consistent field method based on a linear combination of Slater-type orbitals. The bound orbitals are transformed onto a two-dimensional lattice ({tau}, {theta}), which is variable in the radial coordinate and constant in the angular coordinate, from which Hartree with local exchange potentials are constructed. The single particle Schrodinger equation is then solved for continuum distorted-waves with S-matrix boundary conditions. Total ionization cross sections for Li{sub 2} at an equilibrium internuclear separation of R = 5.0 and for Li{sup +}{sub 2} at an equilibrium internuclear separation of R = 5.9 are presented.

  12. Non-equilibrium supramolecular polymerization.

    PubMed

    Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

    2017-03-28

    Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

  13. Modulated voltage metastable ionization detector

    NASA Technical Reports Server (NTRS)

    Carle, G. C.; Kojiro, D. R.; Humphrey, D. E. (Inventor)

    1985-01-01

    The output current from a metastable ionization detector (MID) is applied to a modulation voltage circuit. An adjustment is made to balance out the background current, and an output current, above background, is applied to an input of a strip chart recorder. For low level concentrations, i.e., low detected output current, the ionization potential will be at a maximum and the metastable ionization detector will operate at its most sensitive level. When the detected current from the metastable ionization detector increases above a predetermined threshold level, a voltage control circuit is activated which turns on a high voltage transistor which acts to reduce the ionization potential. The ionization potential applied to the metastable ionization detector is then varied so as to maintain the detected signal level constant. The variation in ionization potential is now related to the concentration of the constituent and a representative amplitude is applied to another input of said strip chart recorder.

  14. A Unified Kinetics and Equilibrium Experiment: Rate Law, Activation Energy, and Equilibrium Constant for the Dissociation of Ferroin

    ERIC Educational Resources Information Center

    Sattar, Simeen

    2011-01-01

    Tris(1,10-phenanthroline)iron(II) is the basis of a suite of four experiments spanning 5 weeks. Students determine the rate law, activation energy, and equilibrium constant for the dissociation of the complex ion in acid solution and base dissociation constant for phenanthroline. The focus on one chemical system simplifies a daunting set of…

  15. Helical axis stellarator equilibrium model

    SciTech Connect

    Koniges, A.E.; Johnson, J.L.

    1985-02-01

    An asymptotic model is developed to study MHD equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad-Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of Asperators NP-3 and NP-4. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift.

  16. Interregional equilibrium with heterogeneous labor.

    PubMed

    Michel, P; Perrot, A; Thisse J-f

    1996-02-01

    "The impact of labor migration on interregional equilibrium is studied when workers are heterogeneous in productivity and regional mobility. The skilled respond to market disequilibrium by moving into the most attractive region. The unskilled are immobile in the short-run and move with the skilled in the long-run. Both regions have a neoclassical production function affected by an externality depending on the number of skilled. Workers move according to the utility differential when regional amenities vary with population or according to the wage differential. The equilibrium pattern depends on the unskilled's mobility and on migration incentives. Typically, regional imbalance characterizes the equilibrium which is often suboptimal."

  17. New constraints on the escape of ionizing photons from starburst galaxies using ionization-parameter mapping

    SciTech Connect

    Zastrow, Jordan; Oey, M. S.; Veilleux, Sylvain; McDonald, Michael

    2013-12-10

    The fate of ionizing radiation in starburst galaxies is key to understanding cosmic reionization. However, the galactic parameters on which the escape fraction of ionizing radiation depend are not well understood. Ionization-parameter mapping provides a simple, yet effective, way to study the radiative transfer in starburst galaxies. We obtain emission-line ratio maps of [S III]/[S II] for six, nearby, dwarf starbursts: NGC 178, NGC 1482, NGC 1705, NGC 3125, NGC 7126, and He 2-10. The narrowband images are obtained with the Maryland-Magellan Tunable Filter at Las Campanas Observatory. Using these data, we previously reported the discovery of an optically thin ionization cone in NGC 5253, and here we also discover a similar ionization cone in NGC 3125. This latter cone has an opening angle of 40° ± 5° (0.4 sr), indicating that the passageways through which ionizing radiation may travel correspond to a small solid angle. Additionally, there are three sample galaxies that have winds and/or superbubble activity, which should be conducive to escaping radiation, yet they are optically thick. These results support the scenario that an orientation bias limits our ability to directly detect escaping Lyman continuum in many starburst galaxies. A comparison of the star formation properties and histories of the optically thin and thick galaxies is consistent with the model that high escape fractions are limited to galaxies that are old enough (≳3 Myr) for mechanical feedback to have cleared optically thin passageways in the interstellar medium, but young enough (≲5 Myr) that the ionizing stars are still present.

  18. Effect of a finite ionization rate on the radiative heating of outer planet atmospheric entry probes

    NASA Technical Reports Server (NTRS)

    Nelson, H. F.

    1981-01-01

    The influence of finite rate ionization in the inviscid gas just behind the stagnation shock wave on the radiation heating of probes entering the hydrogen helium atmospere of the major planets was investigated. At the present time, there is disagreement as to whether the radiative flux increases or decreases relative to its equilibrium value when finite rate ionization is considered. Leibowitz and Kuo content that the finite rate ionization in the hydrogen gas just behind the shock wave reduces the radiative flux to the probe, whereas Tiwari and Szema predict that it increases the radiative flux. The radiation modeling used in the calculations of both pairs of these investigators was reviewed. It is concluded that finite rate ionization in the inviscid region of the shock layer should reduce the cold wall radiative heating below the values predicted by equilibrium chemistry assumptions.

  19. Equilibrium Constants You Can Smell.

    ERIC Educational Resources Information Center

    Anderson, Michael; Buckley, Amy

    1996-01-01

    Presents a simple experiment involving the sense of smell that students can accomplish during a lecture. Illustrates the important concepts of equilibrium along with the acid/base properties of various ions. (JRH)

  20. Equilibrium and Orientation in Cephalopods.

    ERIC Educational Resources Information Center

    Budelmann, Bernd-Ulrich

    1980-01-01

    Describes the structure of the equilibrium receptor system in cephalopods, comparing it to the vertebrate counterpart--the vestibular system. Relates the evolution of this complex system to the competition of cephalopods with fishes. (CS)

  1. Simulations for Teaching Chemical Equilibrium

    NASA Astrophysics Data System (ADS)

    Huddle, Penelope A.; White, Margaret Dawn; Rogers, Fiona

    2000-07-01

    This paper outlines a systematic approach to teaching chemical equilibrium using simulation experiments that address most known alternate conceptions in the topic. Graphs drawn using the data from the simulations are identical to those obtained using real experimental data for reactions that go to equilibrium. This allows easy mapping of the analogy to the target. The requirements for the simulations are simple and inexpensive, making them accessible to even the poorest schools. The simulations can be adapted for all levels, from pupils who are first encountering equilibrium through students in tertiary education to qualified teachers who have experienced difficulty in teaching the topic. The simulations were piloted on four very different audiences. Minor modifications were then made before the Equilibrium Games as reported in this paper were tested on three groups of subjects: a Grade 12 class, college students, and university Chemistry I students. Marked improvements in understanding of the concept were shown in two of the three sets of subjects.

  2. Self-consistent chemical model of partially ionized plasmas

    SciTech Connect

    Arkhipov, Yu. V.; Baimbetov, F. B.; Davletov, A. E.

    2011-01-15

    A simple renormalization theory of plasma particle interactions is proposed. It primarily stems from generic properties of equilibrium distribution functions and allows one to obtain the so-called generalized Poisson-Boltzmann equation for an effective interaction potential of two chosen particles in the presence of a third one. The same equation is then strictly derived from the Bogolyubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy for equilibrium distribution functions in the pair correlation approximation. This enables one to construct a self-consistent chemical model of partially ionized plasmas, correctly accounting for the close interrelation of charged and neutral components thereof. Minimization of the system free energy provides ionization equilibrium and, thus, permits one to study the plasma composition in a wide range of its parameters. Unlike standard chemical models, the proposed one allows one to study the system correlation functions and thereby to obtain an equation of state which agrees well with exact results of quantum-mechanical activity expansions. It is shown that the plasma and neutral components are strongly interrelated, which results in the short-range order formation in the corresponding subsystem. The mathematical form of the results obtained enables one to both firmly establish this fact and to determine a characteristic length of the structure formation. Since the cornerstone of the proposed self-consistent chemical model of partially ionized plasmas is an effective pairwise interaction potential, it immediately provides quite an efficient calculation scheme not only for thermodynamical functions but for transport coefficients as well.

  3. Nonlocal thermodynamic equilibrium self-consistent average-atom model for plasma physics.

    PubMed

    Faussurier, G; Blancard, C; Berthier, E

    2001-02-01

    A time-dependent collisional-radiative average-atom model is presented to study statistical properties of highly charged ion plasmas in off-equilibrium conditions. The time evolution of electron populations and the electron covariance matrix is obtained as approximate solutions of a master equation. Atomic structure is described either with a screened-hydrogenic model including l splitting, or by calculating one-electron states in a self-consistent average-atom potential. Collisional and radiative excitation/deexcitation and ionization/recombination rates, as well as autoionization and dielectronic recombination rates, are formulated within the average-configuration framework. Local thermodynamic equilibrium is obtained as a specific steady-state solution. The influence of atomic structure and the role of autoionization and dielectronic recombination processes are studied by calculating steady-state average ionization and ionization variance of hot plasmas with or without radiation field.

  4. Edge equilibrium code for tokamaks

    SciTech Connect

    Li, Xujing; Drozdov, Vladimir V.

    2014-01-15

    The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids.

  5. A search for equilibrium states

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1982-01-01

    An efficient search algorithm is described for the location of equilibrium states in a search set of states which differ from one another only by the choice of pure phases. The algorithm has three important characteristics: (1) it ignores states which have little prospect for being an improved approximation to the true equilibrium state; (2) it avoids states which lead to singular iteration equations; (3) it furnishes a search history which can provide clues to alternative search paths.

  6. Relevance of equilibrium in multifragmentation

    SciTech Connect

    Furuta, Takuya; Ono, Akira

    2009-01-15

    The relevance of equilibrium in a multifragmentation reaction of very central {sup 40}Ca + {sup 40}Ca collisions at 35 MeV/nucleon is investigated by using simulations of antisymmetrized molecular dynamics (AMD). Two types of ensembles are compared. One is the reaction ensemble of the states at each reaction time t in collision events simulated by AMD, and the other is the equilibrium ensemble prepared by solving the AMD equation of motion for a many-nucleon system confined in a container for a long time. The comparison of the ensembles is performed for the fragment charge distribution and the excitation energies. Our calculations show that there exists an equilibrium ensemble that well reproduces the reaction ensemble at each reaction time t for the investigated period 80{<=}t{<=}300 fm/c. However, there are some other observables that show discrepancies between the reaction and equilibrium ensembles. These may be interpreted as dynamical effects in the reaction. The usual static equilibrium at each instant is not realized since any equilibrium ensemble with the same volume as that of the reaction system cannot reproduce the fragment observables.

  7. Gridded electron reversal ionizer

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor)

    1993-01-01

    A gridded electron reversal ionizer forms a three dimensional cloud of zero or near-zero energy electrons in a cavity within a filament structure surrounding a central electrode having holes through which the sample gas, at reduced pressure, enters an elongated reversal volume. The resultant negative ion stream is applied to a mass analyzer. The reduced electron and ion space-charge limitations of this configuration enhances detection sensitivity for material to be detected by electron attachment, such as narcotic and explosive vapors. Positive ions may be generated by generating electrons having a higher energy, sufficient to ionize the target gas and pulsing the grid negative to stop the electron flow and pulsing the extraction aperture positive to draw out the positive ions.

  8. Transport Properties of Equilibrium Argon Plasma in a Magnetic Field

    SciTech Connect

    Bruno, D.; Laricchiuta, A.; Chikhaoui, A.; Kustova, E. V.; Giordano, D.

    2005-05-16

    Electron electrical conductivity coefficients of equilibrium Argon plasma in a magnetic field are calculated up to the 12th Chapman-Enskog approximation at pressure of 1 atm and 0.1 atm for temperatures 500K-20000K; the magnetic Hall parameter spans from 0.01 to 100. The collision integrals used in the calculations are discussed. The convergence properties of the different approximations are assessed. The degree of anisotropy introduced by the presence of the magnetic field is evaluated. Differences with the isotropic case can be very substantial. The biggest effects are visible at high ionization degrees, i.e. high temperatures, and at strong magnetic fields.

  9. Distinction and quantitation of leucine-isoleucine isomers and lysine-glutamine isobars by electrospray ionization tandem mass spectrometry (MS(n), n = 2, 3) of copper(II)-diimine complexes.

    PubMed

    Seymour, J L; Turecek, F

    2000-04-01

    Electrospray ionization of mixtures of isomeric and isobaric amino acids was investigated with the goal of distinguishing and quantifying the components. Isomeric amino acids leucine and isoleucine were readily distinguished and quantified in 90 : 10 to 10 : 90 binary mixtures using two-stage (MS(2)) and three-stage (MS(3)) tandem mass spectrometric dissociations of ternary Cu(2+)-2, 2'-bipyridyl (bpy) complexes, [Cu(AA - H)bpy](+). The complexes self-assembled in solution upon mixing the components and provided a convenient means of efficient derivatization that increased the efficiency of amino acid ionization by electrospray and shifted the mass of the analytes to a region which was free of solvent interferences. Low-energy dissociations of [Cu(AA - H)bpy](+) complexes in a quadrupole ion trap were achieved at >90% conversions and >80% trapping efficiencies for the MS(2) and MS(3) precursor and fragment ions. Isobaric amino acids glutamine and lysine were also distinguished through MS(2) and MS(3) of their ternary complexes with Cu(2+) and bpy. ESI of [Cu(Gln - H)bpy](+) was enhanced in the presence of [Cu(Lys - H)bpy](+), which resulted in non-linear response at low Lys concentrations.

  10. Electrospray Ionization Mass Spectrometry

    SciTech Connect

    Kelly, Ryan T.; Marginean, Ioan; Tang, Keqi

    2014-06-13

    Electrospray Ionization (ESI) is a process whereby gas phase ions are created from molecules in solution. As a solution exits a narrow tube in the presence of a strong electric field, an aerosol of charged droplets are is formed that produces gas phase ions as they it desolvates. ESI-MS comprises the creation of ions by ESI and the determination of their mass to charge ratio (m/z) by MS.

  11. Hysteresis of ionization waves

    SciTech Connect

    Dinklage, A.; Bruhn, B.; Testrich, H.; Wilke, C.

    2008-06-15

    A quasi-logistic, nonlinear model for ionization wave modes is introduced. Modes are due to finite size of the discharge and current feedback. The model consists of competing coupled modes and it incorporates spatial wave amplitude saturation. The hysteresis of wave mode transitions under current variation is reproduced. Sidebands are predicted by the model and found in experimental data. The ad hoc model is equivalent to a general--so-called universal--approach from bifurcation theory.

  12. Nonequilibrium evolution of strong-field anisotropic ionized electrons towards a delayed plasma-state.

    PubMed

    Pasenow, B; Moloney, J V; Koch, S W; Chen, S H; Becker, A; Jaroń-Becker, A

    2012-01-30

    Rigorous quantum calculations of the femtosecond ionization of hydrogen atoms in air lead to highly anisotropic electron and ion angular (momentum) distributions. A quantum Monte-Carlo analysis of the subsequent many-body dynamics reveals two distinct relaxation steps, first to a nearly isotropic hot nonequilibrium and then to a quasi-equilibrium configuration. The collective isotropic plasma state is reached on a picosecond timescale well after the ultrashort ionizing pulse has passed.

  13. A COMPARATIVE REVIEW OF INORGANIC AEROSOL THERMODYNAMIC EQUILIBRIUM MODULES: SIMILARITIES, DIFFERENCES, AND THEIR LIKELY CAUSES

    EPA Science Inventory

    A comprehensive comparison of five inorganic aerosol thermodynamic equilibrium modules, MARS-A, SEQUILIB, SCAPE2, EQUISOLV II, and AIM2, was conducted for a variety of atmospheric concentrations of particulate matter (PM) constituents, relative humidities (RHs), and temperatures....

  14. Simulation of atomic ionization following the α decay of the nucleus

    NASA Astrophysics Data System (ADS)

    Kataoka, F.; Nogami, Y.; van Dijk, W.

    2000-08-01

    When the nucleus of an atom decays by emitting an α particle, the surrounding electrons are perturbed and the atom may be ionized. We consider two types of schematic one-dimensional models, I and II, that simulate this ionization process. In model I the α particle is treated as a classical point charge that is emitted by the nucleus at a certain time and travels out at constant speed. This model simulates Migdal's method, on which virtually all calculations performed so far for the ionization process are based. Migdal's method yields an ionization probability that is in reasonable agreement with experiment. In model II, the α particle is treated as a quantum mechanical wave that slowly leaks out from the nucleus. The ionization probability that follows from model II, however, is far smaller than that of model I. Implications of this difference are discussed.

  15. Shape characteristics of equilibrium and non-equilibrium fractal clusters.

    PubMed

    Mansfield, Marc L; Douglas, Jack F

    2013-07-28

    It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other

  16. Resonant three-Photon Ionization Spectroscopy of Atomic Fe

    SciTech Connect

    Liu, Yuan; Gottwald, T.; Havener, Charles C; Mattolat, C.; Vane, C Randy; Wendt, K.

    2013-01-01

    Laser spectroscopic investigations on high-lying states around the ionization potential in the atomic spectrum of Fe have been carried out for development of a practical three-step resonance ionization scheme accessible by Ti:Sapphire lasers. A hot cavity laser ion source typically used at on-line radioactive ion beam production facilities was employed in this work. Ionization schemes employing high-lying Rydberg and autoionizing states populated by three-photon excitations were established. Five new Rydberg and autoionizing Rydberg series converging to the ground and to the first four excited states of Fe II are reported. Analyses of the Rydberg series yield the value 63737.686 0.068 cm-1 for the ionization potential of iron.

  17. Quantum Games: Mixed Strategy Nash's Equilibrium Represents Minimum Entropy

    NASA Astrophysics Data System (ADS)

    Jiménez, Edward

    2003-12-01

    This paper introduces Hermite's polynomials, in the description of quantum games. Hermite's polynomials are associated with gaussian probability density. The gaussian probability density represents minimum dispersion. I introduce the concept of minimum entropy as a paradigm of both Nash's equilibrium (maximum utility MU) and Hayek equilibrium (minimum entropy ME). The ME concept is related to Quantum Games. Some questions arise after carrying out this exercise: i) What does Heisenberg's uncertainty principle represent in Game Theory and Time Series?, and ii) What do the postulates of Quantum Mechanics indicate in Game Theory and Economics?.

  18. The distribution of warm ionized gas in NGC 891

    NASA Technical Reports Server (NTRS)

    Rand, Richard J.; Kulkarni, Shrinivas R.; Hester, J. Jeff

    1990-01-01

    Narrow-band imaging is presented of the edge-on spiral NGC 891 in the H-alpha and S II 6716, 6731 A forbidden lines. Emission from H II regions confined to the plane of the galaxy and from diffuse gas up to about 4 kpc off the plane is readily detected. The full radial extent of the diffuse emission in the plane is about 30 kpc. NGC 891 is found to have a surface density of diffuse ionized gas twice the Galactic value, a thicker ionized gas layer, and a larger surface density of ionized gas relative to neutral gas. These are interpreted as consequences of a relatively high level of star formation in this galaxy. Other star formation tracers indicate the same conclusion. Many vertical H-alpha filaments, or 'worms,' extending to over 2 kpc off the plane of the galaxy are seen. These worms are interpreted in terms of chimney models for the interstellar media of spirals.

  19. Effect of Cu(II), Cd(II) and Zn(II) on Pb(II) biosorption by algae Gelidium-derived materials.

    PubMed

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

    2008-06-15

    Biosorption of Pb(II), Cu(II), Cd(II) and Zn(II) from binary metal solutions onto the algae Gelidium sesquipedale, an algal industrial waste and a waste-based composite material was investigated at pH 5.3, in a batch system. Binary Pb(II)/Cu(II), Pb(II)/Cd(II) and Pb(II)/Zn(II) solutions have been tested. For the same equilibrium concentrations of both metal ions (1 mmol l(-1)), approximately 66, 85 and 86% of the total uptake capacity of the biosorbents is taken by lead ions in the systems Pb(II)/Cu(II), Pb(II)/Cd(II) and Pb(II)/Zn(II), respectively. Two-metal results were fitted to a discrete and a continuous model, showing the inhibition of the primary metal biosorption by the co-cation. The model parameters suggest that Cd(II) and Zn(II) have the same decreasing effect on the Pb(II) uptake capacity. The uptake of Pb(II) was highly sensitive to the presence of Cu(II). From the discrete model it was possible to obtain the Langmuir affinity constant for Pb(II) biosorption. The presence of the co-cations decreases the apparent affinity of Pb(II). The experimental results were successfully fitted by the continuous model, at different pH values, for each biosorbent. The following sequence for the equilibrium affinity constants was found: Pb>Cu>Cd approximately Zn.

  20. CHEMI-IONIZATION IN SOLAR PHOTOSPHERE: INFLUENCE ON THE HYDROGEN ATOM EXCITED STATES POPULATION

    SciTech Connect

    Mihajlov, Anatolij A.; Ignjatovic, Ljubinko M.; Sreckovic, Vladimir A.; Dimitrijevic, Milan S. E-mail: mihajlov@ipb.ac.rs

    2011-03-15

    In this paper, the influence of chemi-ionization processes in H*(n {>=} 2) + H(1s) collisions, as well as the influence of inverse chemi-recombination processes on hydrogen atom excited-state populations in solar photosphere, are compared with the influence of concurrent electron-atom and electron-ion ionization and recombination processes. It has been found that the considered chemi-ionization/recombination processes dominate over the relevant concurrent processes in almost the whole solar photosphere. Thus, it is shown that these processes and their importance for the non-local thermodynamic equilibrium modeling of the solar atmosphere should be investigated further.

  1. On statistical equilibrium in helical fluid flows

    NASA Astrophysics Data System (ADS)

    Kurgansky, M. V.

    2006-06-01

    The statistical mechanics of 3-D helical flows is re-examined for a continuum truncated at a top wavenumber. Based on the principle of equipartition of the flow enstrophy between helical modes, the emerging (i) energy spectrum law "-2" and (ii) formal mathematical analogy between the helicity and the thermodynamic entropy are discussed. It is noted that the "-2" scaling law is consistent with both spectral equilibrium and spectral cascade paradigms. In an attempt to apply the obtained results to a turbulent flow regime within the Earth's outer liquid core, where the net helicity of a turbulent flow component is presumably explained by Earth's rotation, it has been noticed that it is the energy spectral law "-1", but not "-2", which is likely realized there and within the logarithmic accuracy corresponds to the case of the velocity structure function [u(l)]2 independency on the spatial scale l, the latter is consistent with observations. It is argued that the "-1" scaling law can also be interpreted in terms of the spectral equilibrium and it is emphasized that the causes of the likely dominance of the spectral law "-1" over the spectral law "-2" in this geophysical application deserve further investigation and clarification.

  2. Tuning universality far from equilibrium

    PubMed Central

    Karl, Markus; Nowak, Boris; Gasenzer, Thomas

    2013-01-01

    Possible universal dynamics of a many-body system far from thermal equilibrium are explored. A focus is set on meta-stable non-thermal states exhibiting critical properties such as self-similarity and independence of the details of how the respective state has been reached. It is proposed that universal dynamics far from equilibrium can be tuned to exhibit a dynamical transition where these critical properties change qualitatively. This is demonstrated for the case of a superfluid two-component Bose gas exhibiting different types of long-lived but non-thermal critical order. Scaling exponents controlled by the ratio of experimentally tuneable coupling parameters offer themselves as natural smoking guns. The results shed light on the wealth of universal phenomena expected to exist in the far-from-equilibrium realm. PMID:23928853

  3. Calcium: total or ionized?

    PubMed

    Schenck, Patricia A; Chew, Dennis J

    2008-05-01

    Measurement of serum total calcium (tCa) has been relied on for assessment of calcium status, despite the fact that it is the ionized calcium (iCa) fraction that has biologic activity. Serum tCa does not accurately predict iCa status in many clinical conditions. For accurate assessment of iCa status, iCa should be directly measured. Anaerobic measurement of serum iCa under controlled conditions provides the most reliable assessment of calcium status; aerobic measurement of iCa with species-specific pH correction is highly correlated with anaerobic measurements.

  4. Adiabatic evolution of plasma equilibrium

    PubMed Central

    Grad, H.; Hu, P. N.; Stevens, D. C.

    1975-01-01

    A new theory of plasma equilibrium is introduced in which adiabatic constraints are specified. This leads to a mathematically nonstandard structure, as compared to the usual equilibrium theory, in which prescription of pressure and current profiles leads to an elliptic partial differential equation. Topologically complex configurations require further generalization of the concept of adiabaticity to allow irreversible mixing of plasma and magnetic flux among islands. Matching conditions across a boundary layer at the separatrix are obtained from appropriate conservation laws. Applications are made to configurations with planned islands (as in Doublet) and accidental islands (as in Tokamaks). Two-dimensional, axially symmetric, helically symmetric, and closed line equilibria are included. PMID:16578729

  5. Equilibrium in a Production Economy

    SciTech Connect

    Chiarolla, Maria B.; Haussmann, Ulrich G.

    2011-06-15

    Consider a closed production-consumption economy with multiple agents and multiple resources. The resources are used to produce the consumption good. The agents derive utility from holding resources as well as consuming the good produced. They aim to maximize their utility while the manager of the production facility aims to maximize profits. With the aid of a representative agent (who has a multivariable utility function) it is shown that an Arrow-Debreu equilibrium exists. In so doing we establish technical results that will be used to solve the stochastic dynamic problem (a case with infinite dimensional commodity space so the General Equilibrium Theory does not apply) elsewhere.

  6. Investigation of electric field distribution on FAC-IR-300 ionization chamber

    NASA Astrophysics Data System (ADS)

    Mohammadi, S. M.; Tavakoli-Anbaran, H.; Zeinali, H. Z.

    2016-07-01

    One of the important parameters for establishing charge particle equilibrium (CPE) conditions of free-air ionization chamber is an electric field distribution. In this paper, electric field distribution inside the ionization chamber was investigated by finite element method. For this purpose, the effects of adding guard plate and guard strips on the electric field distribution in the ionization chamber were studied. it is necessary to apply a lead box around the ionization chamber body to avoid of scattered radiation effects on the ionization chamber operation, but the lead box changes the electric field distribution. In the following, the effect of lead box on the electric field distribution was studied. Finally, electric field distribution factor (kfield) was calculated by the simulation. The results of the simulation showed that presence of the guard plate and guard strips, and applying a suitable potential to lead box, a convergence of kfield to 1 was achieved.

  7. Chemical Principles Revisited: Using the Equilibrium Concept.

    ERIC Educational Resources Information Center

    Mickey, Charles D., Ed.

    1981-01-01

    Discusses the concept of equilibrium in chemical systems, particularly in relation to predicting the position of equilibrium, predicting spontaneity of a reaction, quantitative applications of the equilibrium constant, heterogeneous equilibrium, determination of the solubility product constant, common-ion effect, and dissolution of precipitates.…

  8. Equilibrium Principles: A Game for Students

    NASA Astrophysics Data System (ADS)

    Edmonson, Lionel J., Jr.; Lewis, Don L.

    1999-04-01

    The laboratory exercise is a game using marked sugar cubes as dice. The game emphasizes the dynamic character of equilibrium. Forward and reverse rate-constant values are used to calculate an equilibrium constant and to predict equilibrium populations. Predicted equilibrium populations are compared with experimental results.

  9. Thermophysics Characterization of Multiply Ionized Air Plasma Absorption of Laser Radiation

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Rhodes, Robert; Turner, Jim (Technical Monitor)

    2002-01-01

    The impact of multiple ionization of air plasma on the inverse Bremsstrahlung absorption of laser radiation is investigated for air breathing laser propulsion. Thermochemical properties of multiply ionized air plasma species are computed for temperatures up to 200,000 deg K, using hydrogenic approximation of the electronic partition function; And those for neutral air molecules are also updated for temperatures up to 50,000 deg K, using available literature data. Three formulas for absorption are calculated and a general formula is recommended for multiple ionization absorption calculation. The plasma composition required for absorption calculation is obtained by increasing the degree of ionization sequentially, up to quadruple ionization, with a series of thermal equilibrium computations. The calculated second ionization absorption coefficient agrees reasonably well with that of available data. The importance of multiple ionization modeling is demonstrated with the finding that area under the quadruple ionization curve of absorption is found to be twice that of single ionization. The effort of this work is beneficial to the computational plasma aerodynamics modeling of laser lightcraft performance.

  10. Structure and evolution of fossil H II regions

    NASA Technical Reports Server (NTRS)

    Mccray, R.; Schwarz, J.

    1971-01-01

    The structure and evolution of a fossil H II region created by a burst of ionizing radiation from a supernova is considered. The cooling time scale for the shell is about 10 to the 6th power years. Superposition of million-year-old fossil H II regions may account for the temperature and ionization of the interstellar medium. Fossil H II regions are unstable to growth of thermal condensations. Highly ionized filamentary structures form and dissipate in about 10,000 years. Partially ionized clouds form and dissipate in about 10 to the 6th power years.

  11. Magnetospheric equilibrium with anisotropic pressure

    SciTech Connect

    Cheng, C.Z.

    1991-07-01

    Self-consistent magnetospheric equilibrium with anisotropic pressure is obtained by employing an iterative metric method for solving the inverse equilibrium equation in an optimal flux coordinate system. A method of determining plasma parallel and perpendicular pressures from either analytic particle distribution or particle distribution measured along the satellite's path is presented. The numerical results of axisymmetric magnetospheric equilibrium including the effects of finite beta, pressure anisotropy, and boundary conditions are presented for a bi-Maxwellian particle distribution. For the isotropic pressure cases, the finite beta effect produces an outward expansion of the constant magnetic flux surfaces in relation to the dipole field lines, and along the magnetic field the toroidal ring current is maximum at the magnetic equator. The effect of pressure anisotropy is found to further expand the flux surfaces outward. Along the magnetic field lines the westward ring current can be peak away from the equator due to an eastward current contribution resulting from pressure anisotropy. As pressure anisotropy increases, the peak westward current can become more singular. The outer boundary flux surface has significant effect on the magnetospheric equilibrium. For the outer flux boundary resembling dayside compressed flux surface due to solar wind pressure, the deformation of the magnetic field can be quite different from that for the outer flux boundary resembling the tail-like surface. 23 refs., 17 figs.

  12. Thermodynamic theory of equilibrium fluctuations

    SciTech Connect

    Mishin, Y.

    2015-12-15

    The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.

  13. Understanding Thermal Equilibrium through Activities

    ERIC Educational Resources Information Center

    Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra

    2015-01-01

    Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…

  14. Losartan sensitizes selectively prostate cancer cell to ionizing radiation.

    PubMed

    Yazdannejat, H; Hosseinimehr, S J; Ghasemi, A; Pourfallah, T A; Rafiei, A

    2016-01-11

    Losartan is an angiotensin II receptor (AT-II-R) blocker that is widely used by human for blood pressure regulation. Also, it has antitumor property. In this study, we investigated the radiosensitizing effect of losartan on cellular toxicity induced by ionizing radiation on prostate cancer and non-malignant fibroblast cells. Human prostate cancer (DU-145) and human non-malignant fibroblast cells (HFFF2) were treated with losartan at different concentrations (0.5, 1, 10, 50 and 100 µM) and then these cells were exposed to ionizing radiation. The cell proliferation was determined using MTT assay. Our results showed that losartan exhibited antitumor effect on prostate cancer cells; it was reduced cell survival to 66% at concentration 1 µM. Losartan showed an additive killing effect in combination with ionizing radiation on prostate cancer cell. The cell proliferation was reduced to 54% in the prostate cancer cells treated with losartan at concentration 1 µM in combination with ionizing radiation. Losartan did not exhibit any toxicity on HFFF2 cell. This result shows a promising effect of losartan on enhancement of therapeutic effect of ionizing radiation in patients during therapy.

  15. Liquid-vapor equilibrium-states and critical properties of aluminum from dense plasma equation-of-state

    NASA Astrophysics Data System (ADS)

    Zaghloul, Mofreh

    2016-10-01

    We present successful estimates of the critical properties and liquid-vapor equilibrium states of pure aluminum fluid as predicted from a chemical model for the equation-of-state of hot dense partially ionized plasma. The essential features of strongly-coupled plasma of metal vapors, such as, multiple ionization, Coulomb interactions among charged particles, partial degeneracy, and intensive short range hard core repulsion are taken into consideration. Internal partition functions of neutral, excited, and ionized species are thoughtfully evaluated in a statistical-mechanically consistent way implementing recent developments in the literature. Results predicted from the present model are discussed and carefully examined against available data and predictions in the literature.

  16. IONIZED OUTFLOWS FROM COMPACT STEEP SPECTRUM SOURCES

    SciTech Connect

    Shih, Hsin-Yi; Stockton, Alan; Kewley, Lisa E-mail: stockton@ifa.hawaii.edu

    2013-08-01

    Massive outflows are known to exist, in the form of extended emission-line regions (EELRs), around about one-third of powerful FR II radio sources. We investigate the origin of these EELRs by studying the emission-line regions around compact-steep-spectrum (CSS) radio galaxies that are younger (10{sup 3}-10{sup 5} yr old) versions of the FR II radio galaxies. We have searched for and analyzed the emission-line regions around 11 CSS sources by taking integral field spectra using Gemini Multi-Object Spectrograph on Gemini North. We fit the [O III] {lambda}5007 line and present the velocity maps for each detected emission-line region. We find, in most cases, that the emission-line regions have multi-component velocity structures with different velocity dispersions and/or flux distributions for each component. The velocity gradients of the emission-line gas are mostly well aligned with the radio axis, suggesting a direct causal link between the outflowing gas and the radio jets. The complex velocity structure may be a result of different driving mechanisms related to the onset of the radio jets. We also present the results from the line-ratio diagnostics we used to analyze the ionization mechanism of the extended gas, which supports the scenario where the emission-line regions are ionized by a combination of active galactic nucleus radiation and shock excitation.

  17. AN IONIZATION CONE IN THE DWARF STARBURST GALAXY NGC 5253

    SciTech Connect

    Zastrow, Jordan; Oey, M. S.; Veilleux, Sylvain; McDonald, Michael; Martin, Crystal L.

    2011-11-01

    There are few observational constraints on how the escape of ionizing photons from starburst galaxies depends on galactic parameters. Here we report on the first major detection of an ionization cone in NGC 5253, a nearby starburst galaxy. This high-excitation feature is identified by mapping the emission-line ratios in the galaxy using [S III] {lambda}9069, [S II] {lambda}6716, and H{alpha} narrowband images from the Maryland-Magellan Tunable Filter at Las Campanas Observatory. The ionization cone appears optically thin, which suggests the escape of ionizing photons. The cone morphology is narrow with an estimated solid angle covering just 3% of 4{pi} steradians, and the young, massive clusters of the nuclear starburst can easily generate the radiation required to ionize the cone. Although less likely, we cannot rule out the possibility of an obscured active galactic nucleus source. An echelle spectrum along the minor axis shows complex kinematics that are consistent with outflow activity. The narrow morphology of the ionization cone supports the scenario that an orientation bias contributes to the difficulty in detecting Lyman continuum emission from starbursts and Lyman break galaxies.

  18. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  19. Ionizing radiation detector

    DOEpatents

    Thacker, Louis H.

    1990-01-01

    An ionizing radiation detector is provided which is based on the principle of analog electronic integration of radiation sensor currents in the sub-pico to nano ampere range between fixed voltage switching thresholds with automatic voltage reversal each time the appropriate threshold is reached. The thresholds are provided by a first NAND gate Schmitt trigger which is coupled with a second NAND gate Schmitt trigger operating in an alternate switching state from the first gate to turn either a visible or audible indicating device on and off in response to the gate switching rate which is indicative of the level of radiation being sensed. The detector can be configured as a small, personal radiation dosimeter which is simple to operate and responsive over a dynamic range of at least 0.01 to 1000 R/hr.

  20. Multiphoton ionization of Uracil

    NASA Astrophysics Data System (ADS)

    Prieto, Eladio; Martinez, Denhi; Guerrero, Alfonso; Alvarez, Ignacio; Cisneros, Carmen

    2016-05-01

    Multiphoton ionization and dissociation of Uracil using a Reflectron time of flight spectrometer was performed along with radiation from the second harmonic of a Nd:YAG laser. Uracil is one of the four nitrogen bases that belong to RNA. The last years special interest has been concentrated on the study of the effects under UV radiation in nucleic acids1 and also in the role that this molecule could have played in the origin and development of life on our planet.2 The MPI mass spectra show that the presence and intensity of the resulting ions strongly depend on the density power. The identification of the ions in the mass spectra is presented. The results are compared with those obtained in other laboratories under different experimental conditions and some of them show partial agreement.3 The present work was supported by CONACYT-Mexico Grant 165410 and DGAPA UNAM Grant IN101215 and IN102613.

  1. Ionized cluster beam deposition

    NASA Technical Reports Server (NTRS)

    Kirkpatrick, A. R.

    1983-01-01

    Ionized Cluster Beam (ICB) deposition, a new technique originated by Takagi of Kyoto University in Japan, offers a number of unique capabilities for thin film metallization as well as for deposition of active semiconductor materials. ICB allows average energy per deposited atom to be controlled and involves impact kinetics which result in high diffusion energies of atoms on the growth surface. To a greater degree than in other techniques, ICB involves quantitative process parameters which can be utilized to strongly control the characteristics of films being deposited. In the ICB deposition process, material to be deposited is vaporized into a vacuum chamber from a confinement crucible at high temperature. Crucible nozzle configuration and operating temperature are such that emerging vapor undergoes supercondensation following adiabatic expansion through the nozzle.

  2. Observational tests for nonequilibrium ionization in the solar corona

    NASA Technical Reports Server (NTRS)

    Spadaro, D.; Leto, P.; Antiochos, S. K.

    1994-01-01

    Nonequilibrium ionization may be produced by a variety of processes in the solar corona, for example, by mass flows through the large temperature gradients of the transition region or by impulsive heating and cooling. Any deviation from equilibrium ionization would have a strong effect on the radiation from the corona and on the interpretation of solar observations; hence, it is important to determine observational signatures of nonequilibrium. The temperature-sensitive line ratios can be used as such signatures. We examine the line ratios: C IV I(1548.2 A)/I(312.4 A), O IV I(789.4 A)/I(554.4 A), O V I(629.7 A)/I(172.2 A), O VI I(1031.9 A)/I(173.0 A) and O VI I(1031.9 A)/I(150.1 A). These line ratios are calculated for four coronal loop models that have a steady flow and that are known to have significant departures from equilibrium ionization. Our results indicate that, in general, nonequilibrium causes a considerable reduction in the line ratios, more than an order of magnitude in the downflowing leg of the loop model with the largest mass flows. We find that the C IV line ratio is the most sensitive to nonequilibrium. We discuss the implications of our results for observations, specifically, the observations expected from the upcoming SOHO mission.

  3. Ionization front interactions and the formation of globules

    NASA Astrophysics Data System (ADS)

    Brand, P. W. J. L.

    1981-10-01

    It is assumed that an H II region has evolved inside a molecular cloud. The interactions that result from the expanding shell of compressed molecular gas reaching the edge of the cloud are calculated, and the instability of the ionization front to the formation of globules is investigated. The rarefaction wave which is reflected from the contact discontinuity as the leading shock passes through the edge of the cloud accelerates the ionization front, and since conditions at the front satisfy Capriotti's criterion for instability, the shell breaks up. The size of the fragment so created is determined by the thickness of the compressed shell. If the shell phase of H II region evolution has proceeded significantly, then globules of up to a fraction of a solar mass may be formed in an H II region caused by a star with an ionizing luminosity of 10 to the 49th photons/sec in a molecular cloud of density 1000/cu cm. These globules may survive the ionizing flux from the star, and will be driven from the cloud by the rocket effect.

  4. Ionization detection system for aerosols

    DOEpatents

    Jacobs, Martin E.

    1977-01-01

    This invention relates to an improved smoke-detection system of the ionization-chamber type. In the preferred embodiment, the system utilizes a conventional detector head comprising a measuring ionization chamber, a reference ionization chamber, and a normally non-conductive gas triode for discharging when a threshold concentration of airborne particulates is present in the measuring chamber. The improved system utilizes a measuring ionization chamber which is modified to minimize false alarms and reductions in sensitivity resulting from changes in ambient temperature. In the preferred form of the modification, an annular radiation shield is mounted about the usual radiation source provided to effect ionization in the measuring chamber. The shield is supported by a bimetallic strip which flexes in response to changes in ambient temperature, moving the shield relative to the source so as to vary the radiative area of the source in a manner offsetting temperature-induced variations in the sensitivity of the chamber.

  5. Ice ages and the thermal equilibrium of the earth, II

    USGS Publications Warehouse

    Adam, D.P.

    1975-01-01

    The energy required to sustain midlatitude continental glaciations comes from solar radiation absorbed by the oceans. It is made available through changes in relative amounts of energy lost from the sea surface as net outgoing infrared radiation, sensible heat loss, and latent heat loss. Ice sheets form in response to the initial occurrence of a large perennial snowfield in the subarctic. When such a snowfield forms, it undergoes a drastic reduction in absorbed solar energy because of its high albedo. When the absorbed solar energy cannot supply local infrared radiation losses, the snowfield cools, thus increasing the energy gradient between itself and external, warmer areas that can act as energy sources. Cooling of the snowfield progresses until the energy gradients between the snowfield and external heat sources are sufficient to bring in enough (latent plus sensible) energy to balance the energy budget over the snowfield. Much of the energy is imported as latent heat. The snow that falls and nourishes the ice sheet is a by-product of the process used to satisfy the energy balance requirements of the snowfield. The oceans are the primary energy source for the ice sheet because only the ocean can supply large amounts of latent heat. At first, some of the energy extracted by the ice sheet from the ocean is stored heat, so the ocean cools. As it cools, less energy is lost as net outgoing infrared radiation, and the energy thus saved is then available to augment evaporation. The ratio between sensible and latent heat lost by the ocean is the Bowen ratio; it depends in part on the sea surface temperature. As the sea surface temperature falls during a glaciation, the Bowen ratio increases, until most of the available energy leaves the oceans as sensible, rather than latent heat. The ice sheet starves, and an interglacial period begins. The oscillations between stadial and interstadial intervals within a glaciation are caused by the effects of varying amounts of glacial meltwater entering the oceans as a surface layer that acts to reduce the amount of energy available for glacial nourishment. This causes the ice sheet to melt back, which continues the supply of meltwater until the ice sheet diminishes to a size consistent with the reduced rate of nourishment. The meltwater supply then decreases, the rate of nourishment increases, and a new stadial begins. ?? 1975.

  6. Thermal Equilibrium of Vortex Lines in Counterflowing He II

    NASA Astrophysics Data System (ADS)

    Nemirovskii, Sergey K.

    2016-12-01

    The problem of the statistics of a set of chaotic vortex lines in counterflowing superfluid helium is studied. We introduced a Langevin-type force into the equation of motion of the vortex line in the presence of relative velocity {v_{ns}}. This random force is supposed to be Gaussian satisfying the fluctuation-dissipation theorem. The corresponding Fokker-Planck equation for probability functional in the vortex loop configuration space is shown to have a solution in the form of Gibbs distribution with the substitution E{{s}→ }E({{s}-P(vn-vs)}, where E{{s}} is the energy of the vortex configuration s and P is the Lamb impulse. Some physical consequences of this fact are discussed.

  7. Korshunov instantons out of equilibrium

    NASA Astrophysics Data System (ADS)

    Titov, M.; Gutman, D. B.

    2016-04-01

    Zero-dimensional dissipative action possesses nontrivial minima known as Korshunov instantons. They have been known so far only for imaginary time representation that is limited to equilibrium systems. In this work we reconstruct and generalise Korshunov instantons using real-time Keldysh approach. This allows us to formulate the dissipative action theory for generic nonequilibrium conditions. Possible applications of the theory to transport in strongly biased quantum dots are discussed.

  8. A self-consistent 3D model of fluctuations in the helium-ionizing background

    NASA Astrophysics Data System (ADS)

    Davies, Frederick B.; Furlanetto, Steven R.; Dixon, Keri L.

    2017-03-01

    Large variations in the effective optical depth of the He II Lyα forest have been observed at z ≳ 2.7, but the physical nature of these variations is uncertain: either the Universe is still undergoing the process of He II reionization, or the Universe is highly ionized but the He II-ionizing background fluctuates significantly on large scales. In an effort to build upon our understanding of the latter scenario, we present a novel model for the evolution of ionizing background fluctuations. Previous models have assumed the mean free path of ionizing photons to be spatially uniform, ignoring the dependence of that scale on the local ionization state of the intergalactic medium (IGM). This assumption is reasonable when the mean free path is large compared to the average distance between the primary sources of He II-ionizing photons, ≳ L⋆ quasars. However, when this is no longer the case, the background fluctuations become more severe, and an accurate description of the average propagation of ionizing photons through the IGM requires additionally accounting for the fluctuations in opacity. We demonstrate the importance of this effect by constructing 3D semi-analytic models of the helium-ionizing background from z = 2.5-3.5 that explicitly include a spatially varying mean free path of ionizing photons. The resulting distribution of effective optical depths at large scales in the He II Lyα forest is very similar to the latest observations with HST/COS at 2.5 ≲ z ≲ 3.5.

  9. Local equilibrium in bird flocks

    NASA Astrophysics Data System (ADS)

    Mora, Thierry; Walczak, Aleksandra M.; Del Castello, Lorenzo; Ginelli, Francesco; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano; Cavagna, Andrea; Giardina, Irene

    2016-12-01

    The correlated motion of flocks is an example of global order emerging from local interactions. An essential difference with respect to analogous ferromagnetic systems is that flocks are active: animals move relative to each other, dynamically rearranging their interaction network. This non-equilibrium characteristic has been studied theoretically, but its impact on actual animal groups remains to be fully explored experimentally. Here, we introduce a novel dynamical inference technique, based on the principle of maximum entropy, which accommodates network rearrangements and overcomes the problem of slow experimental sampling rates. We use this method to infer the strength and range of alignment forces from data of starling flocks. We find that local bird alignment occurs on a much faster timescale than neighbour rearrangement. Accordingly, equilibrium inference, which assumes a fixed interaction network, gives results consistent with dynamical inference. We conclude that bird orientations are in a state of local quasi-equilibrium over the interaction length scale, providing firm ground for the applicability of statistical physics in certain active systems.

  10. Study of spatial distributions of highly ionized nonequilibrium helium plasma at atmospheric pressures

    NASA Astrophysics Data System (ADS)

    Chinnov, V. F.; Kavyrshin, D. I.; Ageev, A. G.; Korshunov, O. V.; Sargsyan, M. A.; Efimov, A. V.

    2016-11-01

    Experimental study of helium plasma in the state of quasistationary heating under atmospheric pressure was made. The plasma state is shown to fail to be described by Saha- Boltzmann approximation at high ionization levels α i = 0.5-0.9, temperatures 2.5-4.0 eV and electron concentrations about 1017 cm-3. The deviation from the equilibrium state of the plasma is caused by lack of spatial uniformity due to charged particles loss by ambipolar diffusion. In order to thoroughly study the temporal changes of plasma radiation characteristics, spectroscopic analysis was carried out with DFS-452 spectrometer and high-speed CMOS camera Andor iStar attached to its output. The system yields the spatial resolution of 30-50 μm and temporal resolution of 5-50 μs. Electron concentration ne was measured from the half-width of the local Hei spectrum line contours having dominant quadruple Stark effect with well-known constants. In order to determine the temperature of heavy particles, Doppler component of HeI line triplet at 1083 nm was studied. The temporal evolution of the following important characteristics has been determined for helium plasma during pulsed heating: current power, intensities of a number of HeI and HeII spectral lines, electron temperatures and concentrations.

  11. Hook-method measurements of gf-values for ultraviolet Fe I and Fe II lines on a shock tube

    NASA Technical Reports Server (NTRS)

    Huber, M. C. E.

    1974-01-01

    Transition probabilities for 14 lines of Fe II and 12 lines of Fe I in the wavelength region 2560-2737 A were measured by use of a shock tube and the hook method. Absolute oscillator strengths for resonance lines of Fe I reported by Banfield and Huber were used to determine the number density of neutral iron in the shock-heated gas. With the assumption of thermal equilibrium, the density of singly ionized iron atoms in this gas was then computed from the measured temperature and pressure with the aid of the Saha equation. Our results on the 12 strongest of the 13 lines belonging to the first ultraviolet multiplet of Fe II indicate that the multiplet f-value is larger by a factor of 2 than that derived from lifetime measurements by Assousa and Smith.

  12. Ionized gas at the edge of the central molecular zone

    NASA Astrophysics Data System (ADS)

    Langer, W. D.; Goldsmith, P. F.; Pineda, J. L.; Velusamy, T.; Requena-Torres, M. A.; Wiesemeyer, H.

    2015-04-01

    Context. The edge of the central molecular zone (CMZ) is the location where massive dense molecular clouds with large internal velocity dispersions transition to the surrounding more quiescent and lower CO emissivity region of the Galaxy. Little is known about the ionized gas surrounding the molecular clouds and in the transition region. Aims: We determine the properties of the ionized gas at the edge of the CMZ near Sgr E using observations of N+ and C+. Methods: We observed a small portion of the edge of the CMZ near Sgr E with spectrally resolved [C ii] 158 μm and [N ii] 205 μm fine structure lines at six positions with the GREAT instrument on SOFIA and in [C ii] using Herschel HIFI on-the-fly strip maps. We use the [N ii] spectra along with a radiative transfer model to calculate the electron density of the gas and the [C ii] maps to illuminate the morphology of the ionized gas and model the column density of CO-dark H2. Results: We detect two [C ii] and [N ii] velocity components, one along the line of sight to a CO molecular cloud at - 207 km s-1 associated with Sgr E and the other at -174 km s-1 outside the edge of another CO cloud. From the [N ii] emission we find that the average electron density is in the range of ~5 to 21 cm-3 for these features. This electron density is much higher than that of the disk's warm ionized medium, but is consistent with densities determined for bright diffuse H ii nebula. The column density of the CO-dark H2 layer in the -207 km s-1 cloud is ~1-2 × 1021 cm-2 in agreement with theoretical models. The CMZ extends further out in Galactic radius by ~7 to 14 pc in ionized gas than it does in molecular gas traced by CO. Conclusions: The edge of the CMZ likely contains dense hot ionized gas surrounding the neutral molecular material. The high fractional abundance of N+ and high electron density require an intense EUV field with a photon flux of order 106 to 107 photons cm-2 s-1, and/or efficient proton charge exchange with

  13. High pressure xenon ionization detector

    DOEpatents

    Markey, J.K.

    1989-11-14

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0 to 30 C. 2 figs.

  14. High pressure xenon ionization detector

    DOEpatents

    Markey, John K.

    1989-01-01

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0.degree. to 30.degree. C.

  15. Viscosity Coefficient Curve Fits for Ionized Gas Species Grant Palmer

    NASA Technical Reports Server (NTRS)

    Palmer, Grant; Arnold, James O. (Technical Monitor)

    2001-01-01

    Viscosity coefficient curve fits for neutral gas species are available from many sources. Many do a good job of reproducing experimental and computational chemistry data. The curve fits are usually expressed as a function of temperature only. This is consistent with the governing equations used to derive an expression for the neutral species viscosity coefficient. Ionized species pose a more complicated problem. They are subject to electrostatic as well as intermolecular forces. The electrostatic forces are affected by a shielding phenomenon where electrons shield the electrostatic forces of positively charged ions beyond a certain distance. The viscosity coefficient for an ionized gas species is a function of both temperature and local electron number density. Currently available curve fits for ionized gas species, such as those presented by Gupta/Yos, are a function of temperature only. What they did was to assume an electron number density. The problem is that the electron number density they assumed was unrealistically high. The purpose of this paper is two-fold. First, the proper expression for determining the viscosity coefficient of an ionized species as a function of both temperature and electron number density will be presented. Then curve fit coefficients will be developed using the more realistic assumption of an equilibrium electron number density. The results will be compared against previous curve fits and against highly accurate computational chemistry data.

  16. Torque equilibrium attitude control for Skylab reentry

    NASA Technical Reports Server (NTRS)

    Glaese, J. R.; Kennel, H. F.

    1979-01-01

    All the available torque equilibrium attitudes (most were useless from the standpoint of lack of electrical power) and the equilibrium seeking method are presented, as well as the actual successful application during the 3 weeks prior to Skylab reentry.

  17. Warm Ionized Medium throughout the Sagittarius–Carina Arm

    NASA Astrophysics Data System (ADS)

    Krishnarao, Dhanesh; Haffner, L. Matthew; Benjamin, Robert A.; Hill, Alex S.; Barger, Kathleen A.

    2017-03-01

    Wisconsin H-Alpha Mapper observations of Hα and [S ii] λ6716 emission are used to trace the vertical distribution and physical conditions of the warm ionized medium along the Sagittarius–Carina arm. CO emission, tracing cold molecular gas in the plane of the Galaxy, is used as a guide to isolate Hα and [S ii] λ6716 emission along individual spiral arms. Exponential scale heights of electron density squared (or emission measure) are determined using Hα emission above (below) the midplane to be 330+/- 80 {pc} (550+/- 230 {pc}) along the near Sagittarius arm, 300+/- 100 {pc} (250+/- 30 {pc}) along the near Carina arm, and > 1000 {pc} along the far Carina arm. The emission measure scale height tends to increase as a function of Galactocentric radius along the Sagittarius–Carina arm for {R}{{G}}> 8 {kpc}. Physical conditions of the ionized gas are analyzed using the [S ii]/Hα line ratio, which more closely traces I Hα than height above the plane, z, suggesting a stronger relationship with the in situ electron density. We interpret this result as further evidence for the majority of the observed diffuse emission originating from in situ ionized gas as opposed to scattered light from classical H ii regions in the plane.

  18. Highly ionized gas absorption in the disk and halo toward HD 167756 at 3.5 kilometers per second resolution

    NASA Technical Reports Server (NTRS)

    Savage, Blair D.; Sembach, Kenneth R.; Cardelli, Jason A.

    1994-01-01

    High-resolution spectra of interstellar Si IV, C IV, and N V absorption lines along the 4 kpc path to the inner Galaxy star HD 167756 at z = -0.85 kpc are presented. The spectra were obtained with the echelle mode of Goddard High Resolution Spectrograph (GHRS) aboard the Hubble Space Telescope (HST) and have signal-to-noise ratios ranging from 23 to 38. The high resolution of the measurements full width at half maximum (FWHM = 3.5 km/s) results in fully resolved line profiles for the highly ionized gas absorption. The measurements provide information on the column density per unit velocity, N(v), as a function of velocity for Si IV, C IV, and N V. The C IV and N V profiles extend from -70 to +70 km/s, while the Si IV profiles extend from -40 to +70 km/s. The integrated logarithmic column densities are long N(Si IV) = 13.09 +/- 0.02, log N(C IV) = 13.83 +/- 0.02, and log N(N V) = 13.56 +/- 0.03. The N V profile is broad, asymmetric, and featureless, while the Si IV profile contains narrow absorption components near V(sub LSR) = -19, 0, +20, and +52 km/s with Doppler spread parameters, b about = 10-12 km/s. The C IV profile contains both broad and narrow structure. The high ion feature near +52 km/s is also detected in the low-ionization lines of Ca II, O I, Si II, and Fe II. The other narrow Si IV and C IV components occur within several km/s of components seen in low-ionization species. The sight line contains at least two types of highly ionized gas. One type gives rise to a broad N V profile, and the other results in the more structured Si IV profile. The C IV profile contains contributions from both types of highly ionized gas. The broad but asymmetric N V profile is well represented by a large Galactic scale height gas which is participating in Galactic rotation and has a combination of thermal and turbulent broadening with b(sub tot) about = 42 km/s. The C IV to N V abundance ratio of 1.0 +/- 0.3 for the gas implies T about 1.6 x 10(exp 5) K or about 8 x 10

  19. Electronic structure and spectroscopy of nucleic acid bases: Ionization energies, ionization-induced structural changes, and photoelectron spectra

    SciTech Connect

    Bravaya, Ksenia B.; Kostko, Oleg; Dolgikh, Stanislav; Landau, Arie; Ahmed, Musahid; Krylov, Anna I.

    2010-08-02

    We report high-level ab initio calculations and single-photon ionization mass spectrometry study of ionization of adenine (A), thymine (T), cytosine (C) and guanine (G). For thymine and adenine, only the lowest-energy tautomers were considered, whereas for cytosine and guanine we characterized five lowest-energy tautomeric forms. The first adiabatic and several vertical ionization energies were computed using equation-of-motion coupled-cluster method for ionization potentials with single and double substitutions. Equilibrium structures of the cationic ground states were characterized by DFT with the {omega}B97X-D functional. The ionization-induced geometry changes of the bases are consistent with the shapes of the corresponding molecular orbitals. For the lowest-energy tautomers, the magnitude of the structural relaxation decreases in the following series G > C > A > T, the respective relaxation energies being 0.41, 0.32, 0.25 and 0.20 eV. The computed adiabatic ionization energies (8.13, 8.89, 8.51-8.67 and 7.75-7.87 eV for A,T,C and G, respectively) agree well with the onsets of the photoionization efficiency (PIE) curves (8.20 {+-} 0.05, 8.95 {+-} 0.05, 8.60 {+-} 0.05 and 7.75 {+-} 0.05 eV). Vibrational progressions for the S{sub 0}-D{sub 0} vibronic bands computed within double-harmonic approximation with Duschinsky rotations are compared with previously reported experimental photoelectron spectra.

  20. Thermophysical properties of nitrogen plasmas under thermal equilibrium and non-equilibrium conditions

    SciTech Connect

    Wang Weizong; Rong Mingzhe; Yan, J. D.; Spencer, Joseph W.; Murphy, A. B.

    2011-11-15

    Calculated thermophysical properties of nitrogen plasmas in and out of thermal equilibrium are presented. The cut-off of the partition functions due to the lowering of the ionization potential has been taken into account, together with the contributions from different core excited electronic states. The species composition and thermodynamic properties are determined numerically using the Newton-Raphson iterative method, taking into account the corrections due to Coulomb interactions. The transport properties including diffusion coefficient, viscosity, thermal conductivity, and electrical conductivity are calculated using the most recent collision interaction potentials by adopting Devoto's electron and heavy particle decoupling approach, expanded to the third-order approximation (second-order for viscosity) in the framework of Chapman-Enskog method. Results are presented in the pressure range of 0.1 atm-10 atm and in electron temperature range from 300 to 40 000 K, with the ratio of electron temperature to heavy-particle temperature varied from 1 to 20. Results are compared with those from previous works, and the influences of different definitions of the Debye length are discussed.

  1. STRUCTURE AND FEEDBACK IN 30 DORADUS. II. STRUCTURE AND CHEMICAL ABUNDANCES

    SciTech Connect

    Pellegrini, E. W.; Baldwin, J. A.; Ferland, G. J.

    2011-09-01

    We use our new optical-imaging and spectrophotometric survey of key diagnostic emission lines in 30 Doradus, together with CLOUDY photoionization models, to study the physical conditions and ionization mechanisms along over 4000 individual lines of sight at points spread across the face of the extended nebula, out to a projected radius 75 pc from R136 at the center of the ionizing cluster NGC 2070. We focus on the physical conditions, geometry, and importance of radiation pressure on a point-by-point basis, with the aim of setting observational constraints on important feedback processes. We find that the dynamics and large-scale structure of 30 Dor are set by a confined system of X-ray bubbles in rough pressure equilibrium with each other and with the confining molecular gas. Although the warm (10,000 K) gas is photoionized by the massive young stars in NGC 2070, the radiation pressure does not currently play a major role in shaping the overall structure. The completeness of our survey also allows us to create a composite spectrum of 30 Doradus, simulating the observable spectrum of a spatially unresolved, distant giant extragalactic H II region. We find that the highly simplified models used in the 'strong line' abundance technique do in fact reproduce our observed line strengths and deduced chemical abundances, in spite of the more than one order of magnitude range in the ionization parameter and density of the actual gas in 30 Dor.

  2. Optical ionization detector

    DOEpatents

    Wuest, Craig R.; Lowry, Mark E.

    1994-01-01

    An optical ionization detector wherein a beam of light is split so that one arm passes through a fiber optics and the other arm passes through a gas-filled region, and uses interferometry to detect density changes in a gas when charged particles pass through it. The gas-filled region of the detector is subjected to a high electric field and as a charged particle traverses this gas region electrons are freed from the cathode and accelerated so as to generate an electron avalanche which is collected on the anode. The gas density is effected by the electron avalanche formation and if the index or refraction is proportional to the gas density the index will change accordingly. The detector uses this index change by modulating the one arm of the split light beam passing through the gas, with respect to the other arm that is passed through the fiber optic. Upon recombining of the beams, interference fringe changes as a function of the index change indicates the passage of charged particles through the gaseous medium.

  3. Optical ionization detector

    DOEpatents

    Wuest, C.R.; Lowry, M.E.

    1994-03-29

    An optical ionization detector wherein a beam of light is split so that one arm passes through a fiber optics and the other arm passes through a gas-filled region, and uses interferometry to detect density changes in a gas when charged particles pass through it. The gas-filled region of the detector is subjected to a high electric field and as a charged particle traverses this gas region electrons are freed from the cathode and accelerated so as to generate an electron avalanche which is collected on the anode. The gas density is effected by the electron avalanche formation and if the index or refraction is proportional to the gas density the index will change accordingly. The detector uses this index change by modulating the one arm of the split light beam passing through the gas, with respect to the other arm that is passed through the fiber optic. Upon recombining of the beams, interference fringe changes as a function of the index change indicates the passage of charged particles through the gaseous medium. 3 figures.

  4. Microwave reflectometer ionization sensor

    NASA Technical Reports Server (NTRS)

    Seals, Joseph; Fordham, Jeffrey A.; Pauley, Robert G.; Simonutti, Mario D.

    1993-01-01

    The development of the Microwave Reflectometer Ionization Sensor (MRIS) Instrument for use on the Aeroassist Flight Experiment (AFE) spacecraft is described. The instrument contract was terminated, due to cancellation of the AFE program, subsequent to testing of an engineering development model. The MRIS, a four-frequency reflectometer, was designed for the detection and location of critical electron density levels in spacecraft reentry plasmas. The instrument would sample the relative magnitude and phase of reflected signals at discrete frequency steps across 4 GHz bandwidths centered at four frequencies: 20, 44, 95, and 140 GHz. The sampled data would be stored for later processing to calculate the distance from the spacecraft surface to the critical electron densities versus time. Four stepped PM CW transmitter receivers were located behind the thermal protection system of the spacecraft with horn antennas radiating and receiving through an insulating tile. Techniques were developed to deal with interference, including multiple reflections and resonance effects, resulting from the antenna configuration and operating environment.

  5. Ionizing radiation promotes protozoan reproduction

    SciTech Connect

    Luckey, T.D.

    1986-11-01

    This experiment was performed to determine whether ionizing radiation is essential for maximum growth rate in a ciliated protozoan. When extraneous ionizing radiation was reduced to 0.15 mrad/day, the reproduction rate of Tetrahymena pyriformis was significantly less (P less than 0.01) than it was at near ambient levels, 0.5 or 1.8 mrad/day. Significantly higher growth rates (P less than 0.01) were obtained when chronic radiation was increased. The data suggest that ionizing radiation is essential for optimum reproduction rate in this organism.

  6. Pulsed helium ionization detection system

    DOEpatents

    Ramsey, R.S.; Todd, R.A.

    1985-04-09

    A helium ionization detection system is provided which produces stable operation of a conventional helium ionization detector while providing improved sensitivity and linearity. Stability is improved by applying pulsed dc supply voltage across the ionization detector, thereby modifying the sampling of the detectors output current. A unique pulse generator is used to supply pulsed dc to the detector which has variable width and interval adjust features that allows up to 500 V to be applied in pulse widths ranging from about 150 nsec to about dc conditions.

  7. Pulsed helium ionization detection system

    DOEpatents

    Ramsey, Roswitha S.; Todd, Richard A.

    1987-01-01

    A helium ionization detection system is provided which produces stable operation of a conventional helium ionization detector while providing improved sensitivity and linearity. Stability is improved by applying pulsed dc supply voltage across the ionization detector, thereby modifying the sampling of the detectors output current. A unique pulse generator is used to supply pulsed dc to the detector which has variable width and interval adjust features that allows up to 500 V to be applied in pulse widths ranging from about 150 nsec to about dc conditions.

  8. Dust and Ionized Gas in Elliptical Galaxies

    NASA Astrophysics Data System (ADS)

    Goudfrooij, Paul

    1995-05-01

    The thesis presents results of a study of the optical and far-infrared properties of dust and ionized gas in a complete, blue magnitude-limited (B_T^0 < 12) sample of 56 luminous elliptical (E) galaxies. The main aim is to investigate the origin and fate of this interstellar material and possible implications for scenarios of galaxy formation and evolution. To ensure consistency in the assignment of morphological types, the galaxy sample was drawn exclusively from the Revised Shapley-Ames Catalog of Bright Galaxies. A deep, systematic optical survey has been performed, including CCD imaging through both broad-band filters and narrow-band filters. For each galaxy we have constructed colour index (B-V, B-I) images and images of the H-alpha+ [N II]-emitting gas to derive the distributions of dust features and ionized gas. Long-slit spectra have also been obtained in two resolutions. Low-resolution spectra (covering the whole optical region) are used to study the properties of the underlying stellar populations (e.g., metallicity gradients), and to study the excitation mechanism of the ionized gas. Additional medium-resolution (~2A) spectra in the wavelength region around H-alpha have been obtained for all sample elliptical galaxies containing ionized gas to study the kinematics of the gas, and derive pure H-alpha luminosities. In this thesis, analysis of the extensive imaging data and of the medium-resolution spectra is reported. In Chapter 1 we report an early result of our survey: The galaxy IC 1459 is found to exhibit a large (15 Kpc diameter) H-alpha+[N II] emission-line region, showing spiral structure. Patchy dust absorption is also found in the inner part of the emission-line region. This galaxy was already shown to contain a massive stellar core which counter-rotates rapidly with respect to the stellar body of the galaxy. Interestingly, the sense of rotation of the spiral "arms" of the ionized gas distribution is the same as that of the rapidly rotating

  9. Accelerating Multiagent Reinforcement Learning by Equilibrium Transfer.

    PubMed

    Hu, Yujing; Gao, Yang; An, Bo

    2015-07-01

    An important approach in multiagent reinforcement learning (MARL) is equilibrium-based MARL, which adopts equilibrium solution concepts in game theory and requires agents to play equilibrium strategies at each state. However, most existing equilibrium-based MARL algorithms cannot scale due to a large number of computationally expensive equilibrium computations (e.g., computing Nash equilibria is PPAD-hard) during learning. For the first time, this paper finds that during the learning process of equilibrium-based MARL, the one-shot games corresponding to each state's successive visits often have the same or similar equilibria (for some states more than 90% of games corresponding to successive visits have similar equilibria). Inspired by this observation, this paper proposes to use equilibrium transfer to accelerate equilibrium-based MARL. The key idea of equilibrium transfer is to reuse previously computed equilibria when each agent has a small incentive to deviate. By introducing transfer loss and transfer condition, a novel framework called equilibrium transfer-based MARL is proposed. We prove that although equilibrium transfer brings transfer loss, equilibrium-based MARL algorithms can still converge to an equilibrium policy under certain assumptions. Experimental results in widely used benchmarks (e.g., grid world game, soccer game, and wall game) show that the proposed framework: 1) not only significantly accelerates equilibrium-based MARL (up to 96.7% reduction in learning time), but also achieves higher average rewards than algorithms without equilibrium transfer and 2) scales significantly better than algorithms without equilibrium transfer when the state/action space grows and the number of agents increases.

  10. Synthesis, characterization and cytotoxicity studies of palladium(II)-proflavine complexes.

    PubMed

    Polyanskaya, Tatyana V; Kazhdan, Irene; Motley, D Michelle; Walmsley, Judith A

    2010-11-01

    An investigation of the reaction of Pd(II) complexes with proflavine (3,6-diaminoacridine) resulted in the isolation of the compounds [Pd(terpy)(proflavine)](NO(3))(HSO(4))*3H(2)O, 1, (terpy = 2,2':6',2″-terpyridine), [Pd(en)(proflavineH))](NO(3))(SO(4)), 2, (en = ethylenediamine), and [Pd(proflavineH)Cl(2)](SO(4))(0.5)*H(2)O, 3. They have been isolated and characterized by NMR, IR, and electro-spray ionization mass spectrometry techniques and by elemental analyses. The proflavine was bonded to the Pd(II) through the endocyclic nitrogen in 1, but through the proflavine NH(2) in 2. Compound 3 appeared to be polymeric in the solid state with a 1:1 mole ratio of Pd(II):proflavine. Upon solution of 3 in DMSO, two unique species were formed. In one species the Pd(II) was bonded to two proflavines through the endocyclic nitrogen (1:2 mole ratio) and in the other species, a Pd(II) was bonded to each NH(2) group of a single proflavine (2:1 mole ratio). Molecular modeling of the equilibrium geometry by Spartan 8 produced structures which were consistent with the experimental data on the solutions of the three compounds. In vitro cytotoxicity testing against two breast cancer cell lines and one ovarian cancer cell line showed that compounds 1 and 3 had significant activity.

  11. Interpreting the H II Region Luminosity Function

    NASA Astrophysics Data System (ADS)

    Oey, M. S.; Clarke, C. J.

    1998-12-01

    We construct Monte Carlo simulations of the H II region luminosity function (H II LF), drawing ionizing stars from a constant stellar IMF, and the number of ionizing stars from a power-law distribution of constant slope. We find that observed variations in the form of the H II LF across the Hubble sequence can be explained by a trend in the maximum number of ionizing stars per nebula. In addition, variations in the form of the H II LF between arm and interarm populations of spiral galaxies can be explained by evolutionary effects. The H II LF can thus reveal features in the most recent (< 10 Myr) star formation history of the host galaxies.

  12. Equilibrium and non-equilibrium metal-ceramic interfaces

    SciTech Connect

    Gao, Y.; Merkle, K.L.

    1991-12-31

    Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO{sub 2}) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO{sub 2} system, ZrO{sub 2} precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO{sub 2} phase. It appears that formation of the cubic ZrO{sub 2} is facilitated by alignment with the Au matrix. Most of the ZrO{sub 2} precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed [111] Au/ZrO{sub 2} interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent of semi-coherent. This indicates that there may be relatively strong bond between MgO and Au.

  13. Equilibrium and non-equilibrium metal-ceramic interfaces

    SciTech Connect

    Gao, Y.; Merkle, K.L.

    1991-01-01

    Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO{sub 2}) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO{sub 2} system, ZrO{sub 2} precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO{sub 2} phase. It appears that formation of the cubic ZrO{sub 2} is facilitated by alignment with the Au matrix. Most of the ZrO{sub 2} precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed (111) Au/ZrO{sub 2} interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent of semi-coherent. This indicates that there may be relatively strong bond between MgO and Au.

  14. Kinetics of swelling of polyelectrolyte gels: Fixed degree of ionization

    NASA Astrophysics Data System (ADS)

    Sen, Swati; Kundagrami, Arindam

    2015-12-01

    The swelling kinetics of uncharged and charged polymer (polyelectrolyte) gels in salt-free conditions is studied in one dimension by solving the constitutive equation of motion (Newton's law for the elementary gel volume) of the displacement variable by two theoretical methods: one in which the classical definition of stress is used with the bulk modulus taken as a parameter, and the other in which a phenomenological expression of the osmotic stress as a function of polymer density and degree of ionization is taken as an input to the dynamics. The time-evolution profiles for spatially varying polymer density and stress, along with the location of the gel-solvent interface, are obtained from the two methods. We show that both the polymer density (volume fraction) and stress inside the gel follow expected behaviours of being maximum for the uniformly shrunken gel, and relaxing slowly to the lowest values as the gel approaches equilibrium. We further show that, by comparing the temporal profiles of the gel-solvent interface and other variables between the two methods, one may attempt to assign an effective bulk modulus to the polyelectrolyte gel as a function of the degree of ionization and other parameters of the gel such as hydrophobicity, cross-link density, and the temperature. The major result we get is that the effective bulk modulus of a polyelectrolyte gel increases monotonically with its degree of ionization. In the process of identifying the parameters for a monotonic swelling, we calculated using a well-known expression of the free energy the equilibrium results of two-phase co-existence and the critical point of a polyelectrolyte gel with a fixed degree of ionization.

  15. Kinetics of swelling of polyelectrolyte gels: Fixed degree of ionization

    SciTech Connect

    Sen, Swati; Kundagrami, Arindam

    2015-12-14

    The swelling kinetics of uncharged and charged polymer (polyelectrolyte) gels in salt-free conditions is studied in one dimension by solving the constitutive equation of motion (Newton’s law for the elementary gel volume) of the displacement variable by two theoretical methods: one in which the classical definition of stress is used with the bulk modulus taken as a parameter, and the other in which a phenomenological expression of the osmotic stress as a function of polymer density and degree of ionization is taken as an input to the dynamics. The time-evolution profiles for spatially varying polymer density and stress, along with the location of the gel-solvent interface, are obtained from the two methods. We show that both the polymer density (volume fraction) and stress inside the gel follow expected behaviours of being maximum for the uniformly shrunken gel, and relaxing slowly to the lowest values as the gel approaches equilibrium. We further show that, by comparing the temporal profiles of the gel-solvent interface and other variables between the two methods, one may attempt to assign an effective bulk modulus to the polyelectrolyte gel as a function of the degree of ionization and other parameters of the gel such as hydrophobicity, cross-link density, and the temperature. The major result we get is that the effective bulk modulus of a polyelectrolyte gel increases monotonically with its degree of ionization. In the process of identifying the parameters for a monotonic swelling, we calculated using a well-known expression of the free energy the equilibrium results of two-phase co-existence and the critical point of a polyelectrolyte gel with a fixed degree of ionization.

  16. Kinetics of swelling of polyelectrolyte gels: Fixed degree of ionization.

    PubMed

    Sen, Swati; Kundagrami, Arindam

    2015-12-14

    The swelling kinetics of uncharged and charged polymer (polyelectrolyte) gels in salt-free conditions is studied in one dimension by solving the constitutive equation of motion (Newton's law for the elementary gel volume) of the displacement variable by two theoretical methods: one in which the classical definition of stress is used with the bulk modulus taken as a parameter, and the other in which a phenomenological expression of the osmotic stress as a function of polymer density and degree of ionization is taken as an input to the dynamics. The time-evolution profiles for spatially varying polymer density and stress, along with the location of the gel-solvent interface, are obtained from the two methods. We show that both the polymer density (volume fraction) and stress inside the gel follow expected behaviours of being maximum for the uniformly shrunken gel, and relaxing slowly to the lowest values as the gel approaches equilibrium. We further show that, by comparing the temporal profiles of the gel-solvent interface and other variables between the two methods, one may attempt to assign an effective bulk modulus to the polyelectrolyte gel as a function of the degree of ionization and other parameters of the gel such as hydrophobicity, cross-link density, and the temperature. The major result we get is that the effective bulk modulus of a polyelectrolyte gel increases monotonically with its degree of ionization. In the process of identifying the parameters for a monotonic swelling, we calculated using a well-known expression of the free energy the equilibrium results of two-phase co-existence and the critical point of a polyelectrolyte gel with a fixed degree of ionization.

  17. Determination of equilibrium association constants of ligand-DNA complexes by electrospray mass spectrometry.

    PubMed

    Gabelica, Valérie

    2010-01-01

    Electrospray mass spectrometry can be used to detect ligand-DNA noncovalent complexes formed in solution. This chapter describes how to determine equilibrium association constants of the complexes. Particular attention is devoted to describing how to tune an electrospray mass spectrometer using a 12-mer oligodeoxynucleotides duplex in order to perform these experiments. This protocol can then be applied to any nucleic acid structure that can be ionized with electrospray mass spectrometry.

  18. Ionization-based detectors for gas chromatography.

    PubMed

    Poole, Colin F

    2015-11-20

    The gas phase ionization detectors are the most widely used detectors for gas chromatography. The column and makeup gases commonly used in gas chromatography are near perfect insulators. This facilitates the detection of a minute number of charge carriers facilitating the use of ionization mechanisms of low efficiency while providing high sensitivity. The main ionization mechanism discussed in this report are combustion in a hydrogen diffusion flame (flame ionization detector), surface ionization in a plasma (thermionic ionization detector), photon ionization (photoionization detector and pulsed discharge helium ionization detector), attachment of thermal electrons (electron-capture detector), and ionization by collision with metastable helium species (helium ionization detector). The design, response characteristics, response mechanism, and suitability for fast gas chromatography are the main features summarized in this report. Mass spectrometric detection and atomic emission detection, which could be considered as ionization detectors of a more sophisticated and complex design, are not discussed in this report.

  19. Open problems in non-equilibrium physics

    SciTech Connect

    Kusnezov, D.

    1997-09-22

    The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

  20. Ionization potential depression for non equilibrated aluminum plasmas

    NASA Astrophysics Data System (ADS)

    Calisti, A.; Ferri, S.; Talin, B.

    2015-11-01

    A classical molecular dynamics simulation model, designed to simulate neutral plasmas with various charge states of a given atom together with electrons, is used to investigate the ionization potential depression (IPD) in dense plasmas. The IPD is discussed for aluminum plasma at and out of equilibrium. The simulation results are compared with those of earlier theoretical models and with experimental data obtained in the framework of x-ray free-electron laser experiments. The model proposed in this work appears as an important tool to provide data for further discussion on IPD models.

  1. Influence of X-ray radiation on the hot star wind ionization state and on the radiative force

    NASA Astrophysics Data System (ADS)

    Krtička, Jiří; Kubát, Jiří

    2016-09-01

    Hot stars emit large amounts of X-rays, which are assumed to originate in the supersonic stellar wind. Part of the emitted X-rays is subsequently absorbed in the wind and influences its ionization state. Because hot star winds are driven radiatively, the modified ionization equilibrium affects the radiative force. We review the recent progress in modeling the influence of X-rays on the radiative equilibrium and on the radiative force. We focus particularly on single stars with X-rays produced in wind shocks and on binaries with massive components, which belong to the most luminous objects in X-rays.

  2. Conformations of Proteins in Equilibrium

    NASA Astrophysics Data System (ADS)

    Micheletti, Cristian; Banavar, Jayanth R.; Maritan, Amos

    2001-08-01

    We introduce a simple theoretical approach for an equilibrium study of proteins with known native-state structures. We test our approach with results on well-studied globular proteins, chymotrypsin inhibitor (2ci2), barnase, and the alpha spectrin SH3 domain, and present evidence for a hierarchical onset of order on lowering the temperature with significant organization at the local level even at high temperatures. A further application to the folding process of HIV-1 protease shows that the model can be reliably used to identify key folding sites that are responsible for the development of drug resistance.

  3. Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture

    NASA Technical Reports Server (NTRS)

    Leibowitz, L. P.

    1972-01-01

    Shock structure during ionization of a hydrogen-helium mixture was studied using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement was achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2 - 0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

  4. Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture.

    NASA Technical Reports Server (NTRS)

    Leibowitz, L. P.

    1973-01-01

    Shock structure during ionization of a hydrogen-helium mixture has been followed using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement has been achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2-0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

  5. Resonance ionization for analytical spectroscopy

    DOEpatents

    Hurst, George S.; Payne, Marvin G.; Wagner, Edward B.

    1976-01-01

    This invention relates to a method for the sensitive and selective analysis of an atomic or molecular component of a gas. According to this method, the desired neutral component is ionized by one or more resonance photon absorptions, and the resultant ions are measured in a sensitive counter. Numerous energy pathways are described for accomplishing the ionization including the use of one or two tunable pulsed dye lasers.

  6. Ionization oscillations in Hall accelerators

    NASA Astrophysics Data System (ADS)

    Barral, S.; Peradzyński, Z.

    2010-01-01

    The underlying mechanism of low-frequency oscillations in Hall accelerators is investigated theoretically. It is shown that relaxation oscillations arise from a competition between avalanche ionization and the advective transport of the working gas. The model derived recovers the slow progression and fast recession of the ionization front. Analytical approximations of the shape of current pulses and of the oscillation frequency are provided for the case of large amplitude oscillations.

  7. The distribution of ionized gas in early-type galaxies

    NASA Astrophysics Data System (ADS)

    Buson, L. M.; Sadler, E. M.; Zeilinger, W. W.; Bertin, G.; Bertola, F.; Danzinger, J.; Dejonghe, H.; Saglia, R. P.; de Zeeuw, P. T.

    1993-12-01

    We present and discuss H-alpha+(N II) imaging observations of fifteen nearby elliptical and SO galaxies with extended optical emission lines. The morphology of the emitting regions suggests that the ionized gas usually lies in a disk which is often geometrically decoupled from the stellar body, as expected in a triaxial galaxy. The presence of a gaseous disk makes these galaxies suitable for testing their gravitational field in a straightforward way. The presence of dust in many of the disks, together with the observed morphological properties, suggests that the ionized gas in most of these galaxies is more closely associated with the cold Interstellar Medium (ISM) than with the hot X-ray component. The mass of ionized gas in the galaxies studied here is typically 10-100 times that in a 'normal' early-type galaxy of similar optical luminosity. These appear to be galaxies where an unusually high fraction of the cold gas has been ionized, rather than unusually gas-rich systems in an overall sense. The extra ionizing source may be related to an active nucleus, since the continuum radio emission from these galaxies is typically 10-15 times more powerful than in 'normal' ellipticals of the smae optical luminosity.

  8. [Hardy-Weinberg equilibrium in genetic epidemiology].

    PubMed

    Liu, Hong; Hu, Yonghua

    2010-01-01

    Hardy-Weinberg equilibrium test is the base of genetic epidemiology. The new methods for Hardy-Weinberg equilibrium test involve: X chromosome-linked single nucleotide polymorphism Hardy-Weinberg test, inbreeding coefficient (F) test, an incomplete enumeration algorithm for an exact test of Hardy-Weinberg proportions with multiple alleles, and graphical tests for Hardy-Weinberg equilibrium based on the ternary plot. It is necessary to conduct Hardy-Weinberg equilibrium test in genetic epidemiology studies and adjust the associations as deviation of Hardy-Weinberg equilibrium occurs.

  9. The geometry of structural equilibrium

    PubMed Central

    2017-01-01

    Building on a long tradition from Maxwell, Rankine, Klein and others, this paper puts forward a geometrical description of structural equilibrium which contains a procedure for the graphic analysis of stress resultants within general three-dimensional frames. The method is a natural generalization of Rankine’s reciprocal diagrams for three-dimensional trusses. The vertices and edges of dual abstract 4-polytopes are embedded within dual four-dimensional vector spaces, wherein the oriented area of generalized polygons give all six components (axial and shear forces with torsion and bending moments) of the stress resultants. The relevant quantities may be readily calculated using four-dimensional Clifford algebra. As well as giving access to frame analysis and design, the description resolves a number of long-standing problems with the incompleteness of Rankine’s description of three-dimensional trusses. Examples are given of how the procedure may be applied to structures of engineering interest, including an outline of a two-stage procedure for addressing the equilibrium of loaded gridshell rooves.

  10. Are the Concepts of Dynamic Equilibrium and the Thermodynamic Criteria for Spontaneity, Nonspontaneity, and Equilibrium Compatible?

    ERIC Educational Resources Information Center

    Silverberg, Lee J.; Raff, Lionel M.

    2015-01-01

    Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic…

  11. Zero-Net-Charge Air Ionizer

    NASA Technical Reports Server (NTRS)

    Woods, W. R., Jr.

    1985-01-01

    Instrument monitors air supplied by air ionizer and regulates ionizer to ensure net charge neutral. High-impedance electrometer and nulling control amplifier regulate output of air ionizer. Primarily intended to furnish ionized air having no net charge, instrument adaptable to generating air with positive or negative net charge is so desired. Useful where integrated circuit chips are manufactured, inspected, tested or assembled.

  12. Plasma diagnostics of non-equilibrium atmospheric plasma jets

    NASA Astrophysics Data System (ADS)

    Shashurin, Alexey; Scott, David; Keidar, Michael; Shneider, Mikhail

    2014-10-01

    Intensive development and biomedical application of non-equilibrium atmospheric plasma jet (NEAPJ) facilitates rapid growth of the plasma medicine field. The NEAPJ facility utilized at the George Washington University (GWU) demonstrated efficacy for treatment of various cancer types (lung, bladder, breast, head, neck, brain and skin). In this work we review recent advances of the research conducted at GWU concerned with the development of NEAPJ diagnostics including Rayleigh Microwave Scattering setup, method of streamer scattering on DC potential, Rogowski coils, ICCD camera and optical emission spectroscopy. These tools allow conducting temporally-resolved measurements of plasma density, electrical potential, charge and size of the streamer head, electrical currents flowing though the jet, ionization front propagation speed etc. Transient dynamics of plasma and discharge parameters will be considered and physical processes involved in the discharge will be analyzed including streamer breakdown, electrical coupling of the streamer tip with discharge electrodes, factors determining NEAPJ length, cross-sectional shape and propagation path etc.

  13. STORAGE RING CROSS-SECTION MEASUREMENTS FOR ELECTRON IMPACT SINGLE AND DOUBLE IONIZATION OF Fe{sup 9+} AND SINGLE IONIZATION OF Fe{sup 10+}

    SciTech Connect

    Hahn, M.; Novotny, O.; Savin, D. W.; Becker, A.; Grieser, M.; Krantz, C.; Wolf, A.; Lestinsky, M.; Repnow, R.; Mueller, A.; Schippers, S.; Spruck, K.

    2012-11-20

    We have measured electron impact ionization from the ground state of Fe{sup 9+} and Fe{sup 10+} over the relative electron-ion collision energy ranges 200-1900 eV and 250-1800 eV, respectively. The ions were confined in an ion storage ring long enough for essentially all metastable levels to radiatively relax to the ground state. For single ionization, we find a number of discrepancies between the existing theoretical cross sections and our results. The calculations appear to neglect some excitation-autoionization (EA) channels, particularly from n = 3 to n' excitations, which are important near threshold, and those from n = 2 {yields} 3 excitations, which contribute at about 650 eV. Conversely, at higher energies the calculations appear to overestimate the importance of EA channels due to excitation into levels where n {>=} 4. The resulting experimental rate coefficients agree with the most recent theory for Fe{sup 9+} to within 16% and for Fe{sup 10+} to within 19% at temperatures where these ions are predicted to form in collisional ionization equilibrium. We have also measured double ionization of Fe{sup 9+} forming Fe{sup 11+} in the energy range 450-3000 eV and found that although there is an appreciable cross section for direct double ionization, the dominant mechanism appears to be through direct ionization of an inner shell electron producing an excited state that subsequently stabilizes through autoionization.

  14. Nanomechanics Model for Static Equilibrium

    NASA Astrophysics Data System (ADS)

    Jung, Sunghoon

    2002-09-01

    This study presented a computational technique to model and simulate atomistic behavior of materials under static loads, Interatomic potential energy was used to maintain equilibrium among atoms under static loads and constraints, In addition, the atomistic model was coupled with the finite element analysis model so that more flexible loads and constraints could be applied to the atomistic model A multi-scale technique was also presented for some single wall nanotubes of both zigzag and armchair and then their effective stiffness were estimated Those designed nanotubes are woven into fabric composites, which can be used in various military applications including body armored, vehicles, and infantry transportation vehicles because advanced nano- composites could be much lighter and stronger than current ones, Some example problems were presented to illustrate the developed technique for the nano-composites and SWNTs, The proposed technique for nanomechanics can be used for design and analysis of materials at the atomic or molecular level,

  15. Equilibrium structure of ferrofluid aggregates.

    PubMed

    Yoon, Mina; Tománek, David

    2010-11-17

    We study the equilibrium structure of large but finite aggregates of magnetic dipoles, representing a colloidal suspension of magnetite particles in a ferrofluid. With increasing system size, the structural motif evolves from chains and rings to multi-chain and multi-ring assemblies. Very large systems form single- and multi-wall coils, tubes and scrolls. These structural changes result from a competition between various energy terms, which can be approximated analytically within a continuum model. We also study the effect of external parameters such as magnetic field on the relative stability of these structures. Our results may give insight into experimental data obtained during solidification of ferrofluid aggregates at temperatures where thermal fluctuations become negligible in comparison to inter-particle interactions. These data may also help to experimentally control the aggregation of magnetic particles.

  16. Equilibrium structure of ferrofluid aggregates

    SciTech Connect

    Yoon, Mina; Tomanek, David

    2010-01-01

    We study the equilibrium structure of large but finite aggregates of magnetic dipoles, representing a colloidal suspension of magnetite particles in a ferrofluid. With increasing system size, the structural motif evolves from chains and rings to multi-chain and multi-ring assemblies. Very large systems form single- and multi-wall coils, tubes and scrolls. These structural changes result from a competition between various energy terms, which can be approximated analytically within a continuum model. We also study the effect of external parameters such as magnetic field on the relative stability of these structures. Our results may give insight into experimental data obtained during solidification of ferrofluid aggregates at temperatures where thermal fluctuations become negligible in comparison to inter-particle interactions. These data may also help to experimentally control the aggregation of magnetic particles.

  17. Local non-equilibrium thermodynamics

    PubMed Central

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-01

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation. PMID:25592077

  18. Equilibrium avalanches in spin glasses

    NASA Astrophysics Data System (ADS)

    Le Doussal, Pierre; Müller, Markus; Wiese, Kay Jörg

    2012-06-01

    We study the distribution of equilibrium avalanches (shocks) in Ising spin glasses which occur at zero temperature upon small changes in the magnetic field. For the infinite-range Sherrington-Kirkpatrick (SK) model, we present a detailed derivation of the density ρ(ΔM) of the magnetization jumps ΔM. It is obtained by introducing a multicomponent generalization of the Parisi-Duplantier equation, which allows us to compute all cumulants of the magnetization. We find that ρ(ΔM)˜ΔM-τ with an avalanche exponent τ=1 for the SK model, originating from the marginal stability (criticality) of the model. It holds for jumps of size 1≪ΔMequilibrium dynamics of the SK model. For finite-range models, using droplet arguments, we obtain the prediction τ=(df+θ)/dm where df,dm, and θ are the fractal dimension, magnetization exponent, and energy exponent of a droplet, respectively. This formula is expected to apply to other glassy disordered systems, such as the random-field model and pinned interfaces. We make suggestions for further numerical investigations, as well as experimental studies of the Barkhausen noise in spin glasses.

  19. The effects of nonequilibrium ionization on the radiative losses of the solar corona

    NASA Technical Reports Server (NTRS)

    Spadaro, D.; Zappala, R. A.; Antiochos, S. K.; Lanzafame, G.; Noci, G.

    1990-01-01

    The emissivity of the ions of carbon and oxygen has been recalculated for a set of solar coronal loop models with a steady state siphon flow. The ion densities were calculated from the plasma velocities, temperatures, and densities of the models, and large departures from equilibrium were found. For purposes of comparison, the emissivity was calculated with and without the approximation of ionization equilibrium. Considerable differences in the radiative loss function Lambda(T) curve between equilibrium and nonequilibrium conditions were found. The nonequilibrium Lambda(T) function was then used to solve again the steady state flow equations of the loop models. The differences in the structure of these models with respect to the models calculated adopting the Lambda(T) curve in equilibrium are discussed.

  20. Non-equilibrium ionization around clouds evaporating in the interstellar medium

    NASA Technical Reports Server (NTRS)

    Ballet, J.; Luciani, J. F.; Mora, P.

    1986-01-01

    It is of prime importance for global models of the interstellar medium to know whether dense clouds do or do not evaporate in the hot coronal gas. The rate of mass exchanges between phases depends very much on that. McKee and Ostriker's model, for instance, assumes that evaporation is important enough to control the expansion of supernova remnants, and that mass loss obeys the law derived by Cowie and McKee. In fact, the geometry of the magnetic field is nearly unknown, and it might totally inhibit evaporation, if the clouds are not regularly connected to the hot gas. Up to now, the only test of the theory is the U.V. observation (by the Copernicus and IUE satellites) of absorption lines of ions such as OVI or NV, that exist at temperatures of a few 100,000 K typical of transition layers around evaporating clouds. Other means of testing the theory are discussed.

  1. Ionization balance in EBIT and tokamak plasmas

    NASA Astrophysics Data System (ADS)

    Peacock, N. J.; Barnsley, R.; O'Mullane, M. G.; Tarbutt, M. R.; Crosby, D.; Silver, J. D.; Rainnie, J. A.

    2001-01-01

    The equilibrium state in tokamak core plasmas has been studied using the relative intensities of resonance x-ray lines, for example Lyα (H-like), "w" (He-like), and "q" (Li-like) from test ions such as Ar+15, Ar+16, and Ar+17. A full spatial analysis involves comparison of the line intensities with ion diffusion calculations, including relevant atomic rates. A zero-dimensional model using a global ion loss rate approximation has also been demonstrated by comparison with the data collected from a Johann configuration spectrometer with a charged coupled device (CCD) detector. Since the lines are nearly monoenergetic, their intensities are independent of the instrument sensitivity and are directly proportional to the ion abundances. This method has recently been applied to Ar in the Oxford electron beam ion trap (EBIT) with a beam energy in the range 3-10 keV. Taking into account the cross sections for monoenergetic electron collisions and polarization effects, model calculations agree with the observed line ratios at 4.1 keV beam energy. This work will be expanded to provide nomograms of ionization state versus line intensity ratios as a function of EBIT beam energy.

  2. Ionized carbon in side-illuminated molecular clouds

    NASA Technical Reports Server (NTRS)

    Boreiko, R. T.; Betz, A. L.; Zmuidzinas, J.

    1990-01-01

    The C II fine-structure line has been observed in five sources for which the ionization front/molecular cloud interface is viewed approximately edge-on. The LSR velocity of the C II emission is generally in good agreement with that observed for molecular species such as CO. However, the observed linewidths of 3-14 km/s are typically wider than those of molecular lines and often show rapid spatial variations in the observed regions. The C II brightness temperature are typically equal to or slightly higher than the dust temperature at all locations observed. In the optically thin approximation, C II excitation temperatures are 100 K or more and column densities are 10 to the 18th/sq cm for all sources except M17, which has a more intense and complicated line profile with a larger spatial extent than any other source observed.

  3. Nonequilibrium ionization effects in asymmetrically heated loops. [in solar corona

    NASA Technical Reports Server (NTRS)

    Spadaro, D.; Antiochos, Spiro K.; Mariska, J. T.

    1991-01-01

    The effects of nonequilibrium ionization on magnetic loop models with a steady siphon flow that is driven by a nonuniform heating rate are investigated. The model developed by Mariska (1988) to explain the observed redshifts of transition region emission lines is examined, and the number densities of the ions of carbon and oxygen along the loop are computed, with and without the approximation of ionization equilibrium. Considerable deviations from equilibrium were found. In order to determine the consequences of these nonequilibrium effects on the characteristics of the EUV emission from the loop plasma, the profiles and wavelength positions of all the important emission lines due to carbon and oxygen were calculated. The calculations are in broad agreement with Mariska's conclusions, although they show a significant diminution of the Doppler shifts, as well as modifications to the line widths. It is concluded that the inclusion of nonequilibrium effects make it more difficult to reproduce the observed characteristics of the solar transition region by means of the asymmetric-heating models.

  4. Quasilinear Evidence for the Equilibrium Structure of BeOH

    NASA Astrophysics Data System (ADS)

    Mascaritolo, Kyle; Merrit, Jermey M.; Heaven, Michael C.

    2013-06-01

    The hydroxides of Ca, Sr and Ba are known to be linear molecules, while MgOH is quasilinear. High-level ab initio calculations for BeOH predict a bent equilibrium structure with a bond angle of 140.9°, indicating a significant contribution of covalency to the bonding. However, experimental confirmation of the bent structure is lacking. IR and ESR spectra for matrix-isolated BeOH have been interpreted under the assumption of a linear equilibrium structure. Low resolution electronic spectra have been reported for gas phase BeOH and BeOD, but they have not been analyzed. In the present study we have used resonantly enhanced multiphoton ionization, with mass resolved ion detection, and laser induced fluorescence to observe the near UV rovibronic v'-0 bending progression of BeOH and BeOD. Rotationally resolved data have been obtained, which yield rotational constants of the ground and excited states, along with evidence of spin-rotation coupling. Theoretical collaboration with Per Jensen of Bergische Universität Wuppertal revealed the need for the inclusion of large amplitude motion within the Hamiltonian operator to accurately simulate observed spectra. Inclusion of large amplitude motions indicates BeOH/OD is quasilinear in its ground state. A. Antic-Jovanovic, V. Bojovic, D. Pesic, J. Chem. Phys. 211988 (757)

  5. Measurements of Cell Physiology: Ionized Calcium, pH and Glutathione

    DTIC Science & Technology

    1993-01-01

    NO. NO. ACCESSION NO. 62233N MM33C30.005 1051 DN249507 11. TITLE (Include Security Classification) Measurements of cell physiology: ionized calcium, pH...PAGE II NTIS CRA&/ 3U lfllo nced Measurements of Cell Physiology: Ionized Calcium, o,.,______o__ pH, and Glutathione PETER S. RABINOVITCH, CARL H...intervening functional parameters that are of increasing interest to cell activation of a guanine nucleotdde binding (G) protein. Phos- biologists. The

  6. The role of partial ionization effects in the chromosphere

    PubMed Central

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo; Carlsson, Mats

    2015-01-01

    The energy for the coronal heating must be provided from the convection zone. However, the amount and the method by which this energy is transferred into the corona depend on the properties of the lower atmosphere and the corona itself. We review: (i) how the energy could be built in the lower solar atmosphere, (ii) how this energy is transferred through the solar atmosphere, and (iii) how the energy is finally dissipated in the chromosphere and/or corona. Any mechanism of energy transport has to deal with the various physical processes in the lower atmosphere. We will focus on a physical process that seems to be highly important in the chromosphere and not deeply studied until recently: the ion–neutral interaction effects in the chromosphere. We review the relevance and the role of the partial ionization in the chromosphere and show that this process actually impacts considerably the outer solar atmosphere. We include analysis of our 2.5D radiative magnetohydrodynamic simulations with the Bifrost code (Gudiksen et al. 2011 Astron. Astrophys. 531, A154 (doi:10.1051/0004-6361/201116520)) including the partial ionization effects on the chromosphere and corona and thermal conduction along magnetic field lines. The photosphere, chromosphere and transition region are partially ionized and the interaction between ionized particles and neutral particles has important consequences on the magneto-thermodynamics of these layers. The partial ionization effects are treated using generalized Ohm's law, i.e. we consider the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. The interaction between the different species affects the modelled atmosphere as follows: (i) the ambipolar diffusion dissipates magnetic energy and increases the minimum temperature in the chromosphere and (ii) the upper chromosphere may get heated and expanded over a greater range of heights. These processes reveal appreciable differences between the modelled

  7. The role of partial ionization effects in the chromosphere.

    PubMed

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo; Carlsson, Mats

    2015-05-28

    The energy for the coronal heating must be provided from the convection zone. However, the amount and the method by which this energy is transferred into the corona depend on the properties of the lower atmosphere and the corona itself. We review: (i) how the energy could be built in the lower solar atmosphere, (ii) how this energy is transferred through the solar atmosphere, and (iii) how the energy is finally dissipated in the chromosphere and/or corona. Any mechanism of energy transport has to deal with the various physical processes in the lower atmosphere. We will focus on a physical process that seems to be highly important in the chromosphere and not deeply studied until recently: the ion-neutral interaction effects in the chromosphere. We review the relevance and the role of the partial ionization in the chromosphere and show that this process actually impacts considerably the outer solar atmosphere. We include analysis of our 2.5D radiative magnetohydrodynamic simulations with the Bifrost code (Gudiksen et al. 2011 Astron. Astrophys. 531, A154 (doi:10.1051/0004-6361/201116520)) including the partial ionization effects on the chromosphere and corona and thermal conduction along magnetic field lines. The photosphere, chromosphere and transition region are partially ionized and the interaction between ionized particles and neutral particles has important consequences on the magneto-thermodynamics of these layers. The partial ionization effects are treated using generalized Ohm's law, i.e. we consider the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. The interaction between the different species affects the modelled atmosphere as follows: (i) the ambipolar diffusion dissipates magnetic energy and increases the minimum temperature in the chromosphere and (ii) the upper chromosphere may get heated and expanded over a greater range of heights. These processes reveal appreciable differences between the modelled atmospheres

  8. Measured oscillator strengths in singly ionized molybdenum

    NASA Astrophysics Data System (ADS)

    Mayo-García, R.; Aragón, C.; Aguilera, J. A.; Ortiz, M.

    2015-11-01

    In this article, 112 oscillator strengths from Mo II have been measured, 79 of which for the first time. The radiative parameters have been obtained by laser-induced breakdown spectroscopy (LIBS). The plasma is produced from a fused glass sample prepared from molybdenum oxide with a Mo atomic concentration of 0.1%. The plasma evolved in air at atmospheric pressure, and measurements were carried out with the following plasma parameters: an electron density of (2.5+/- 0.1)\\cdot {10}17 cm-3 and an electron temperature of 14,400+/- 200 K. In these conditions, a local thermodynamic equilibrium environment and an optically thin plasma were confirmed for the measurements. The relative intensities were placed on an absolute scale by combining branching fractions with the measured lifetimes and by comparing well-known lines using the plasma temperature. Comparisons were made to previously obtained experimental and theoretical values wherever possible.

  9. Philicities, Fugalities, and Equilibrium Constants.

    PubMed

    Mayr, Herbert; Ofial, Armin R

    2016-05-17

    The mechanistic model of Organic Chemistry is based on relationships between rate and equilibrium constants. Thus, strong bases are generally considered to be good nucleophiles and poor nucleofuges. Exceptions to this rule have long been known, and the ability of iodide ions to catalyze nucleophilic substitutions, because they are good nucleophiles as well as good nucleofuges, is just a prominent example for exceptions from the general rule. In a reaction series, the Leffler-Hammond parameter α = δΔG(⧧)/δΔG° describes the fraction of the change in the Gibbs energy of reaction, which is reflected in the change of the Gibbs energy of activation. It has long been considered as a measure for the position of the transition state; thus, an α value close to 0 was associated with an early transition state, while an α value close to 1 was considered to be indicative of a late transition state. Bordwell's observation in 1969 that substituent variation in phenylnitromethanes has a larger effect on the rates of deprotonation than on the corresponding equilibrium constants (nitroalkane anomaly) triggered the breakdown of this interpretation. In the past, most systematic investigations of the relationships between rates and equilibria of organic reactions have dealt with proton transfer reactions, because only for few other reaction series complementary kinetic and thermodynamic data have been available. In this Account we report on a more general investigation of the relationships between Lewis basicities, nucleophilicities, and nucleofugalities as well as between Lewis acidities, electrophilicities, and electrofugalities. Definitions of these terms are summarized, and it is suggested to replace the hybrid terms "kinetic basicity" and "kinetic acidity" by "protophilicity" and "protofugality", respectively; in this way, the terms "acidity" and "basicity" are exclusively assigned to thermodynamic properties, while "philicity" and "fugality" refer to kinetics

  10. Fervent: chemistry-coupled, ionizing and non-ionizing radiative feedback in hydrodynamical simulations

    NASA Astrophysics Data System (ADS)

    Baczynski, C.; Glover, S. C. O.; Klessen, R. S.

    2015-11-01

    We introduce a radiative transfer code module for the magnetohydrodynamical adaptive mesh refinement code FLASH 4. It is coupled to an efficient chemical network which explicitly tracks the three hydrogen species H, H2, H+ as well as C+ and CO. The module is geared towards modelling all relevant thermal feedback processes of massive stars, and is able to follow the non-equilibrium time-dependent thermal and chemical state of the present-day interstellar medium as well as that of dense molecular clouds. We describe in detail the implementation of all relevant thermal stellar feedback mechanisms, i.e. photoelectric, photoionization and H2 dissociation heating as well as pumping of molecular hydrogen by UV photons. All included radiative feedback processes are extensively tested. We also compare our module to dedicated photodissociation region (PDR) codes and find good agreement in our modelled hydrogen species once our radiative transfer solution reaches equilibrium. In addition, we show that the implemented radiative feedback physics is insensitive to the spatial resolution of the code and show under which conditions it is possible to obtain well-converged evolution in time. Finally, we briefly explore the robustness of our scheme for treating combined ionizing and non-ionizing radiation.

  11. The Origin and Optical Depth of Ionizing Photons in the Green Pea Galaxies

    NASA Astrophysics Data System (ADS)

    Jaskot, A. E.; Oey, M. S.

    2014-09-01

    Our understanding of radiative feedback and star formation in galaxies at high redshift is hindered by the rarity of similar systems at low redshift. However, the recently identified Green Pea (GP) galaxies are similar to high-redshift galaxies in their morphologies and star formation rates and are vital tools for probing the generation and transmission of ionizing photons. The GPs contain massive star clusters that emit copious amounts of high-energy radiation, as indicated by intense [OIII] 5007 emission and HeII 4686 emission. We focus on six GP galaxies with high ratios of [O III] 5007,4959/[O II] 3727 ~10 or more. Such high ratios indicate gas with a high ionization parameter or a low optical depth. The GP line ratios and ages point to chemically homogeneous massive stars, Wolf-Rayet stars, or shock ionization as the most likely sources of the He II emission. Models including shock ionization suggest that the GPs may have low optical depths, consistent with a scenario in which ionizing photons escape along passageways created by recent supernovae. The GPs and similar galaxies can shed new light on cosmic reionization by revealing how ionizing photons propagate from massive star clusters to the intergalactic medium.

  12. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    PubMed

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  13. Equilibrium sampling by reweighting nonequilibrium simulation trajectories

    NASA Astrophysics Data System (ADS)

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  14. Equilibrium coexistence of three amphiboles

    USGS Publications Warehouse

    Robinson, P.; Jaffe, H.W.; Klein, C.; Ross, M.

    1969-01-01

    Electron probe and wet chemical analyses of amphibole pairs from the sillimanite zone of central Massachusetts and adjacent New Hampshire indicated that for a particular metamorphic grade there should be a restricted composition range in which three amphiboles can coexist stably. An unequivocal example of such an equilibrium three amphibole rock has been found in the sillimanite-orthoclase zone. It contains a colorless primitive clinoamphibole, space group P21/m, optically and chemically like cummingtonite with blue-green hornblende exsolution lamellae on (100) and (-101) of the host; blue-green hornblende, space group C2/m, with primitive cummingtonite exsolution lamellae on (100) and (-101) of the host; and pale pinkish tan anthophyllite, space group Pnma, that is free of visible exsolution lamellae but is a submicroscopic intergrowth of two orthorhombic amphiboles. Mutual contacts and coarse, oriented intergrowths of two and three host amphiboles indicate the three grew as an equilibrium assemblage prior to exsolution. Electron probe analyses at mutual three-amphibole contacts showed little variation in the composition of each amphibole. Analyses believed to represent most closely the primary amphibole compositions gave atomic proportions on the basis of 23 oxygens per formula unit as follows: for primitive cummingtonite (Na0.02Ca0.21- Mn0.06Fe2+2.28Mg4.12Al0.28) (Al0.17Si7.83), for hornblende (Na0.35Ca1.56Mn0.02Fe1.71Mg2.85Al0.92) (Al1.37Si6.63), and for anthophyllite (Na0.10Ca0.06Mn0.06Fe2.25Mg4.11Al0.47) (Al0.47Si7.53). The reflections violating C-symmetry, on X-ray single crystal photographs of the primitive cummingtonite, are weak and diffuse, and suggest a partial inversion from a C-centered to a primitive clinoamphibole. Single crystal photographs of the anthophyllite show split reflections indicating it is an intergrowth of about 80% anthophyllite and about 20% gedrite which differ in their b crystallographic dimensions. Split reflections are

  15. EASI - EQUILIBRIUM AIR SHOCK INTERFERENCE

    NASA Technical Reports Server (NTRS)

    Glass, C. E.

    1994-01-01

    New research on hypersonic vehicles, such as the National Aero-Space Plane (NASP), has raised concerns about the effects of shock-wave interference on various structural components of the craft. State-of-the-art aerothermal analysis software is inadequate to predict local flow and heat flux in areas of extremely high heat transfer, such as the surface impingement of an Edney-type supersonic jet. EASI revives and updates older computational methods for calculating inviscid flow field and maximum heating from shock wave interference. The program expands these methods to solve problems involving the six shock-wave interference patterns on a two-dimensional cylindrical leading edge with an equilibrium chemically reacting gas mixture (representing, for example, the scramjet cowl of the NASP). The inclusion of gas chemistry allows for a more accurate prediction of the maximum pressure and heating loads by accounting for the effects of high temperature on the air mixture. Caloric imperfections and specie dissociation of high-temperature air cause shock-wave angles, flow deflection angles, and thermodynamic properties to differ from those calculated by a calorically perfect gas model. EASI contains pressure- and temperature-dependent thermodynamic and transport properties to determine heating rates, and uses either a calorically perfect air model or an 11-specie, 7-reaction reacting air model at equilibrium with temperatures up to 15,000 K for the inviscid flowfield calculations. EASI solves the flow field and the associated maximum surface pressure and heat flux for the six common types of shock wave interference. Depending on the type of interference, the program solves for shock-wave/boundary-layer interaction, expansion-fan/boundary-layer interaction, attaching shear layer or supersonic jet impingement. Heat flux predictions require a knowledge (from experimental data or relevant calculations) of a pertinent length scale of the interaction. Output files contain flow

  16. Comparison of DSMC and CFD Solutions of Fire II Including Radiative Heating

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.; Johnston, Christopher O.; Lewis, Mark J.

    2011-01-01

    The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. These flows may also contain significant radiative heating. To prepare for these missions, NASA is developing the capability to simulate rarefied, ionized flows and to then calculate the resulting radiative heating to the vehicle's surface. In this study, the DSMC codes DAC and DS2V are used to obtain charge-neutral ionization solutions. NASA s direct simulation Monte Carlo code DAC is currently being updated to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced Quantum-Kinetic chemistry model, and to include electronic energy levels as an additional internal energy mode. The Fire II flight test is used in this study to assess these new capabilities. The 1634 second data point was chosen for comparisons to be made in order to include comparisons to computational fluid dynamics solutions. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid. It is shown that there can be quite a bit of variability in the vibrational temperature inferred from DSMC solutions and that, from how radiative heating is computed, the electronic temperature is much better suited for radiative calculations. To include the radiative portion of heating, the flow-field solutions are post-processed by the non-equilibrium radiation code HARA. Acceptable agreement between CFD and DSMC flow field solutions is demonstrated and the progress of the updates to DAC, along with an appropriate radiative heating solution, are discussed. In addition, future plans to generate more high fidelity radiative heat transfer solutions are discussed.

  17. Multielectron effects in strong field ionization of molecules

    NASA Astrophysics Data System (ADS)

    Jaron-Becker, Agnieszka; Xia, Yuqing

    2014-05-01

    Multielectron effects are studied for strong field ionization of di- and polyatomic molecules at their equilibrium geometries, using time dependent density functional theory. Strong field ionization of molecules have been previously often analyzed using ``single active electron'' (SAE) approximation based theories such as for example Intense Field Many Body S-matrix Theory and typically the contributions from inner valence orbitals and multielectron effects were concluded to be of less importance. For several di- and polyatomic molecules we show that ionization rate from inner valence orbitals can increase dramatically due to a novel resonant coupling which influences the molecular dynamics. We discuss the dependence of the results on the orientation of the molecules and laser parameters. Moreover we show how such a mechanism can lead to localization of electron depending on the symmetry of the orbitals involved. Finally, we propose how the novel mechanism can be observed experimentally and show how the multi-electron effects can help explain several experimental results which have shown disagreement with SAE approximation based theories. Supported by NSF (Grants No. PHY-1068706 and PHY-1125844).

  18. ASYMMETRIC MAGNETIC RECONNECTION IN WEAKLY IONIZED CHROMOSPHERIC PLASMAS

    SciTech Connect

    Murphy, Nicholas A.; Lukin, Vyacheslav S.

    2015-06-01

    Realistic models of magnetic reconnection in the solar chromosphere must take into account that the plasma is partially ionized and that plasma conditions within any two magnetic flux bundles undergoing reconnection may not be the same. Asymmetric reconnection in the chromosphere may occur when newly emerged flux interacts with pre-existing, overlying flux. We present 2.5D simulations of asymmetric reconnection in weakly ionized, reacting plasmas where the magnetic field strengths, ion and neutral densities, and temperatures are different in each upstream region. The plasma and neutral components are evolved separately to allow non-equilibrium ionization. As in previous simulations of chromospheric reconnection, the current sheet thins to the scale of the neutral–ion mean free path and the ion and neutral outflows are strongly coupled. However, the ion and neutral inflows are asymmetrically decoupled. In cases with magnetic asymmetry, a net flow of neutrals through the current sheet from the weak-field (high-density) upstream region into the strong-field upstream region results from a neutral pressure gradient. Consequently, neutrals dragged along with the outflow are more likely to originate from the weak-field region. The Hall effect leads to the development of a characteristic quadrupole magnetic field modified by asymmetry, but the X-point geometry expected during Hall reconnection does not occur. All simulations show the development of plasmoids after an initial laminar phase.

  19. Fast ionized X-ray absorbers in AGNs

    NASA Astrophysics Data System (ADS)

    Fukumura, K.; Tombesi, F.; Kazanas, D.; Shrader, C.; Behar, E.; Contopoulos, I.

    2016-05-01

    We investigate the physics of the X-ray ionized absorbers often identified as warm absorbers (WAs) and ultra-fast outflows (UFOs) in Seyfert AGNs from spectroscopic studies in the context of magnetically-driven accretion-disk wind scenario. Launched and accelerated by the action of a global magnetic field anchored to an underlying accretion disk around a black hole, outflowing plasma is irradiated and ionized by an AGN radiation field characterized by its spectral energy density (SED). By numerically solving the Grad-Shafranov equation in the magnetohydrodynamic (MHD) framework, the physical property of the magnetized disk-wind is determined by a wind parameter set, which is then incorporated into radiative transfer calculations with xstar photoionization code under heating-cooling equilibrium state to compute the absorber's properties such as column density N_H, line-of-sight (LoS) velocity v, ionization parameter ξ, among others. Assuming that the wind density scales as n ∝ r-1, we calculate theoretical absorption measure distribution (AMD) for various ions seen in AGNs as well as line spectra especially for the Fe Kα absorption feature by focusing on a bright quasar PG 1211+143 as a case study and show the model's plausibility. In this note we demonstrate that the proposed MHD-driven disk-wind scenario is not only consistent with the observed X-ray data, but also help better constrain the underlying nature of the AGN environment in a close proximity to a central engine.

  20. A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water.

    PubMed

    Wu, Xiongwu; Brooks, Bernard R

    2015-10-01

    Chemical and thermodynamic equilibrium of multiple states is a fundamental phenomenon in biology systems and has been the focus of many experimental and computational studies. This work presents a simulation method to directly study the equilibrium of multiple states. This method constructs a virtual mixture of multiple states (VMMS) to sample the conformational space of all chemical states simultaneously. The VMMS system consists of multiple subsystems, one for each state. The subsystem contains a solute and a solvent environment. The solute molecules in all subsystems share the same conformation but have their own solvent environments. Transition between states is implicated by the change of their molar fractions. Simulation of a VMMS system allows efficient calculation of relative free energies of all states, which in turn determine their equilibrium molar fractions. For systems with a large number of state transition sites, an implicit site approximation is introduced to minimize the cost of simulation. A direct application of the VMMS method is for constant pH simulation to study protonation equilibrium. Applying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those residues both with all explicit states and with implicit sites and obtained consistent results. For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively with NMR measurement. This example demonstrates the VMMS method can be applied to systems of a large number of ionizable groups and the computational cost scales linearly with the number of ionizable groups. For one of the most challenging systems in constant pH calculation, SNase Δ+PHS/V66K, our VMMS simulation shows that it is the state-dependent water penetration that causes the large deviation in lysine66's pKa.

  1. The Highly Ionized Circumgalactic Medium is Kinematically Uniform around Galaxies

    NASA Astrophysics Data System (ADS)

    Nielsen, Nikole M.; Kacprzak, Glenn G.; Muzahid, Sowgat; Churchill, Christopher W.; Murphy, Michael T.; Charlton, Jane C.

    2017-01-01

    The circumgalactic medium (CGM) traced by O vi λ λ 1031,1037 doublet absorption has been found to concentrate along the projected major and minor axes of the host galaxies. This suggests that O vi traces accreting and outflowing gas, respectively, which are key components of the baryon cycle of galaxies. We investigate this further by examining the kinematics of 29 O vi absorbers associated with galaxies at 0.13< {z}{gal}< 0.66 as a function of galaxy color, inclination, and azimuthal angle. Each galaxy was imaged with the Hubble Space Telescope (HST), and the absorption was detected in COS/HST spectra of nearby (D< 200 kpc) background quasars. We use the pixel-velocity two-point correlation function to characterize the velocity spread of the absorbers, which is a method used previously for a sample of Mg ii absorber–galaxy pairs. The absorption velocity spread for O vi is more extended than Mg ii, which suggests that the two ions trace differing components of the CGM. Again, in contrast to Mg ii, the O vi absorption velocity spreads are similar regardless of galaxy color, inclination, and azimuthal angle. This indicates that the kinematics of the high-ionization gas is not strongly influenced by the current star formation activity in the galaxy. The kinematic homogeneity of O vi absorption and its tendency to be observed mainly along the projected galaxy major and minor axes is likely due to varying ionization conditions and gas densities about the galaxy. Gas in intermediate azimuthal angles may be ionized out of the O vi phase, possibly resulting in an azimuthal angle dependence of the distribution of gas in higher ionization states.

  2. RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS

    SciTech Connect

    Pugliese, D.; Stuchlík, Z. E-mail: zdenek.stuchlik@physics.cz

    2015-12-15

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  3. Electroencephalographic responses to ionizing radiation.

    PubMed

    GARCIA, J; BUCHWALD, N A; BACH-Y-RITA, G; FEDER, B H; KOELLING, R A

    1963-04-19

    Electroencephalographic recordings made from chronically implanted cortical electrodes indicate that ionizing radiation has an immediate effect upon brain wave patterns. X-rays delivered at the rate of 0.2 roentgen per second produce an arousal effect resembling that which occurs as a result of stimulation through peripheral receptor systems.

  4. Ionization Cooling for Muon Experiments

    SciTech Connect

    Alexahin, Y.; Neuffer, D.; Prebys, E.

    2014-09-18

    Possible application for muon experiments such as mu2e is discussed of the initial part of the ionization cooling channel originally developed for muon collider. It is shown that with the FNAL Booster as the proton driver the mu2e sensitivity can be increased by two orders of magnitude compared to the presently considered experiment.

  5. Ionization Potentials for Isoelectronic Series.

    ERIC Educational Resources Information Center

    Agmon, Noam

    1988-01-01

    Presents a quantitative treatment of ionization potentials of isoelectronic atoms. By looking at the single-electron view of calculating the total energy of an atom, trends in the screening and effective quantum number parameters are examined. Approaches the question of determining electron affinities. (CW)

  6. Equilibrium sampling to determine the thermodynamic potential for bioaccumulation of persistent organic pollutants from sediment.

    PubMed

    Jahnke, Annika; MacLeod, Matthew; Wickström, Håkan; Mayer, Philipp

    2014-10-07

    Equilibrium partitioning (EqP) theory is currently the most widely used approach for linking sediment pollution by persistent hydrophobic organic chemicals to bioaccumulation. Most applications of the EqP approach assume (I) a generic relationship between organic carbon-normalized chemical concentrations in sediments and lipid-normalized concentrations in biota and (II) that bioaccumulation does not induce levels exceeding those expected from equilibrium partitioning. Here, we demonstrate that assumption I can be obviated by equilibrating a silicone sampler with chemicals in sediment, measuring chemical concentrations in the silicone, and applying lipid/silicone partition ratios to yield concentrations in lipid at thermodynamic equilibrium with the sediment (CLip⇌Sed). Furthermore, we evaluated the validity of assumption II by comparing CLip⇌Sed of selected persistent, bioaccumulative and toxic pollutants (polychlorinated biphenyls (PCBs) and hexachlorobenzene (HCB)) to lipid-normalized concentrations for a range of biota from a Swedish background lake. PCBs in duck mussels, roach, eel, pikeperch, perch and pike were mostly below the equilibrium partitioning level relative to the sediment, i.e., lipid-normalized concentrations were ≤CLip⇌Sed, whereas HCB was near equilibrium between biota and sediment. Equilibrium sampling allows straightforward, sensitive and precise measurement of CLip⇌Sed. We propose CLip⇌Sed as a metric of the thermodynamic potential for bioaccumulation of persistent organic chemicals from sediment useful to prioritize management actions to remediate contaminated sites.

  7. Radiation hydrodynamical instabilities in cosmological and galactic ionization fronts

    NASA Astrophysics Data System (ADS)

    Whalen, Daniel J.; Norman, Michael L.

    2011-11-01

    Ionization fronts, the sharp radiation fronts behind which H/He ionizing photons from massive stars and galaxies propagate through space, were ubiquitous in the universe from its earliest times. The cosmic dark ages ended with the formation of the first primeval stars and galaxies a few hundred Myr after the Big Bang. Numerical simulations suggest that stars in this era were very massive, 25-500 solar masses, with H(II) regions of up to 30,000 light-years in diameter. We present three-dimensional radiation hydrodynamical calculations that reveal that the I-fronts of the first stars and galaxies were prone to violent instabilities, enhancing the escape of UV photons into the early intergalactic medium (IGM) and forming clumpy media in which supernovae later exploded. The enrichment of such clumps with metals by the first supernovae may have led to the prompt formation of a second generation of low-mass stars, profoundly transforming the nature of the first protogalaxies. Cosmological radiation hydrodynamics is unique because ionizing photons coupled strongly to both gas flows and primordial chemistry at early epochs, introducing a hierarchy of disparate characteristic timescales whose relative magnitudes can vary greatly throughout a given calculation. We describe the adaptive multistep integration scheme we have developed for the self-consistent transport of both cosmological and galactic ionization fronts.

  8. Zeroth Law, Entropy, Equilibrium, and All That

    ERIC Educational Resources Information Center

    Canagaratna, Sebastian G.

    2008-01-01

    The place of the zeroth law in the teaching of thermodynamics is examined in the context of the recent discussion by Gislason and Craig of some problems involving the establishment of thermal equilibrium. The concept of thermal equilibrium is introduced through the zeroth law. The relation between the zeroth law and the second law in the…

  9. Far from Equilibrium: The Gas Pendulum.

    ERIC Educational Resources Information Center

    Soltzberg, Leonard J.

    1986-01-01

    Discusses the importance of studying the far-from-equilibrium phenomena in college chemistry. Presents a system using the gas pendulum which displays all of the essential characteristics of dissipative systems. Promotes the use of the gas pendulum as a teaching example of a nonlinear far-from-equilibrium process. (TW)

  10. Equilibrium Tail Distribution Due to Touschek Scattering

    SciTech Connect

    Nash,B.; Krinsky, S.

    2009-05-04

    Single large angle Coulomb scattering is referred to as Touschek scattering. In addition to causing particle loss when the scattered particles are outside the momentum aperture, the process also results in a non-Gaussian tail, which is an equilibrium between the Touschek scattering and radiation damping. Here we present an analytical calculation for this equilibrium distribution.

  11. Implementing an Equilibrium Law Teaching Sequence for Secondary School Students to Learn Chemical Equilibrium

    ERIC Educational Resources Information Center

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2015-01-01

    A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…

  12. Numerical simulation of hypersonic inlet flows with equilibrium or finite rate chemistry

    NASA Technical Reports Server (NTRS)

    Yu, Sheng-Tao; Hsieh, Kwang-Chung; Shuen, Jian-Shun; Mcbride, Bonnie J.

    1988-01-01

    An efficient numerical program incorporated with comprehensive high temperature gas property models has been developed to simulate hypersonic inlet flows. The computer program employs an implicit lower-upper time marching scheme to solve the two-dimensional Navier-Stokes equations with variable thermodynamic and transport properties. Both finite-rate and local-equilibrium approaches are adopted in the chemical reaction model for dissociation and ionization of the inlet air. In the finite rate approach, eleven species equations coupled with fluid dynamic equations are solved simultaneously. In the local-equilibrium approach, instead of solving species equations, an efficient chemical equilibrium package has been developed and incorporated into the flow code to obtain chemical compositions directly. Gas properties for the reaction products species are calculated by methods of statistical mechanics and fit to a polynomial form for C(p). In the present study, since the chemical reaction time is comparable to the flow residence time, the local-equilibrium model underpredicts the temperature in the shock layer. Significant differences of predicted chemical compositions in shock layer between finite rate and local-equilibrium approaches have been observed.

  13. Information-theoretic equilibrium and observable thermalization

    PubMed Central

    Anzà, F.; Vedral, V.

    2017-01-01

    A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light. PMID:28266646

  14. Disturbances in equilibrium function after major earthquake

    NASA Astrophysics Data System (ADS)

    Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi

    2012-10-01

    Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events.

  15. Information-theoretic equilibrium and observable thermalization

    NASA Astrophysics Data System (ADS)

    Anzà, F.; Vedral, V.

    2017-03-01

    A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.

  16. Information-theoretic equilibrium and observable thermalization.

    PubMed

    Anzà, F; Vedral, V

    2017-03-07

    A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.

  17. Probing local equilibrium in nonequilibrium fluids.

    PubMed

    del Pozo, J J; Garrido, P L; Hurtado, P I

    2015-08-01

    We use extensive computer simulations to probe local thermodynamic equilibrium (LTE) in a quintessential model fluid, the two-dimensional hard-disks system. We show that macroscopic LTE is a property much stronger than previously anticipated, even in the presence of important finite-size effects, revealing a remarkable bulk-boundary decoupling phenomenon in fluids out of equilibrium. This allows us to measure the fluid's equation of state in simulations far from equilibrium, with an excellent accuracy comparable to the best equilibrium simulations. Subtle corrections to LTE are found in the fluctuations of the total energy which strongly point to the nonlocality of the nonequilibrium potential governing the fluid's macroscopic behavior out of equilibrium.

  18. How Far from Equilibrium Is Active Matter?

    PubMed

    Fodor, Étienne; Nardini, Cesare; Cates, Michael E; Tailleur, Julien; Visco, Paolo; van Wijland, Frédéric

    2016-07-15

    Active matter systems are driven out of thermal equilibrium by a lack of generalized Stokes-Einstein relation between injection and dissipation of energy at the microscopic scale. We consider such a system of interacting particles, propelled by persistent noises, and show that, at small but finite persistence time, their dynamics still satisfy a time-reversal symmetry. To do so, we compute perturbatively their steady-state measure and show that, for short persistent times, the entropy production rate vanishes. This endows such systems with an effective fluctuation-dissipation theorem akin to that of thermal equilibrium systems. Last, we show how interacting particle systems with viscous drags and correlated noises can be seen as in equilibrium with a viscoelastic bath but driven out of equilibrium by nonconservative forces, hence providing energetic insight into the departure of active systems from equilibrium.

  19. How Far from Equilibrium Is Active Matter?

    NASA Astrophysics Data System (ADS)

    Fodor, Étienne; Nardini, Cesare; Cates, Michael E.; Tailleur, Julien; Visco, Paolo; van Wijland, Frédéric

    2016-07-01

    Active matter systems are driven out of thermal equilibrium by a lack of generalized Stokes-Einstein relation between injection and dissipation of energy at the microscopic scale. We consider such a system of interacting particles, propelled by persistent noises, and show that, at small but finite persistence time, their dynamics still satisfy a time-reversal symmetry. To do so, we compute perturbatively their steady-state measure and show that, for short persistent times, the entropy production rate vanishes. This endows such systems with an effective fluctuation-dissipation theorem akin to that of thermal equilibrium systems. Last, we show how interacting particle systems with viscous drags and correlated noises can be seen as in equilibrium with a viscoelastic bath but driven out of equilibrium by nonconservative forces, hence providing energetic insight into the departure of active systems from equilibrium.

  20. TREATMENT OF ACID MINE DRAINAGE: I. EQUILIBRIUM BIOSORPTION OF ZINC AND COPPER ON NON-VIABLE ACTIVATED SLUDGE

    EPA Science Inventory

    Biosorption is potentially attractive technology for treament of acid mine drainage for separation/recovery of metal ions and mitigation of their toxicity to sulfate reducing bacteria. This study describes the equilibrium biosorptio of Zn(II) and CU(II) by nonviable activated slu...

  1. The Diagnostic Potential of Transition Region Lines Undergoing Transient Ionization in Dynamic Events

    NASA Astrophysics Data System (ADS)

    Doyle, J. G.; Giunta, A.; Singh, A.; Madjarska, M. S.; Summers, H.; Kellett, B. J.; O'Mullane, M.

    2012-09-01

    We discuss the diagnostic potential of high cadence UV spectral data when transient ionization is considered. For this we use high cadence UV spectra taken during the impulsive phase of a solar flare (observed with instruments on-board the Solar Maximum Mission) which showed excellent correspondence with hard X-ray pulses. The ionization fraction of the transition region ion O v and, in particular, the contribution function for the O v 1371 Å line are computed within the Atomic Data and Analysis Structure, which is a collection of fundamental and derived atomic data and codes to manipulate them. Due to transient ionization, the O v 1371 Å line is enhanced in the first fraction of a second with the peak in the line contribution function occurring initially at a higher electron temperature than in ionization equilibrium. The rise time and enhancement factor depend mostly on the electron density. The fractional increase in the O v 1371 Å emissivity due to transient ionization can reach a factor of two-four and can explain the fast response in the line flux of transition regions ions during the impulsive phase of flares solely as a result of transient ionization. This technique can be used to diagnose the electron temperature and density of solar flares observed with the forthcoming Interface Region Imaging Spectrograph.

  2. The distribution of warm ionized gas in NGC 891

    SciTech Connect

    Rand, R.J.; Kulkarni, S.R.; Hester, J.J. Infrared Processing and Analysis Center, Pasadena, CA )

    1990-03-01

    Narrow-band imaging is presented of the edge-on spiral NGC 891 in the H-alpha and S II 6716, 6731 A forbidden lines. Emission from H II regions confined to the plane of the galaxy and from diffuse gas up to about 4 kpc off the plane is readily detected. The full radial extent of the diffuse emission in the plane is about 30 kpc. NGC 891 is found to have a surface density of diffuse ionized gas twice the Galactic value, a thicker ionized gas layer, and a larger surface density of ionized gas relative to neutral gas. These are interpreted as consequences of a relatively high level of star formation in this galaxy. Other star formation tracers indicate the same conclusion. Many vertical H-alpha filaments, or 'worms,' extending to over 2 kpc off the plane of the galaxy are seen. These worms are interpreted in terms of chimney models for the interstellar media of spirals. 19 refs.

  3. Clinical Application of Ambient Ionization Mass Spectrometry

    PubMed Central

    Li, Li-Hua; Hsieh, Hua-Yi; Hsu, Cheng-Chih

    2017-01-01

    Ambient ionization allows mass spectrometry analysis directly on the sample surface under atmospheric pressure with almost zero sample pretreatment. Since the development of desorption electrospray ionization (DESI) in 2004, many other ambient ionization techniques were developed. Due to their simplicity and low operation cost, rapid and on-site clinical mass spectrometry analysis becomes real. In this review, we will highlight some of the most widely used ambient ionization mass spectrometry approaches and their applications in clinical study. PMID:28337399

  4. The possibility of steady state nonionization equilibrium conditions in soft X-ray flare plasmas

    NASA Technical Reports Server (NTRS)

    Doschek, G. A.

    1984-01-01

    The possibility of the existence in soft X-ray flare plasmas of conditions that result in a steady state departure of ion abundances from ionization equilibrium values is considered. The observed flare plasma is assumed to be a result of many small 'elementary bursts' that occur on time scales comparable to the ionization and recombination times of highly ionized atoms of iron and calcium. Specific models are adopted, the time-dependent equations for ion abundances are solved numerically, and X-ray line intensities and line ratios are computed and averaged over the effective time of a single burst. The computed results are compared to observed variations for a number of different line ratios. Although the behavior of certain line ratios can be explained in the context of the burst models considered in this paper, the behavior of the set of all the available line ratios cannot be explained in this manner. The observed departures of line ratios from equilibrium values that can be explained in terms of a burst scenario can also be accounted for by uncertainties in the atomic physics.

  5. 29 CFR 1926.53 - Ionizing radiation.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 8 2014-07-01 2014-07-01 false Ionizing radiation. 1926.53 Section 1926.53 Labor... § 1926.53 Ionizing radiation. (a) In construction and related activities involving the use of sources of ionizing radiation, the pertinent provisions of the Nuclear Regulatory Commission's Standards...

  6. 29 CFR 1926.53 - Ionizing radiation.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 8 2011-07-01 2011-07-01 false Ionizing radiation. 1926.53 Section 1926.53 Labor... § 1926.53 Ionizing radiation. (a) In construction and related activities involving the use of sources of ionizing radiation, the pertinent provisions of the Nuclear Regulatory Commission's Standards...

  7. 29 CFR 1926.53 - Ionizing radiation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 8 2010-07-01 2010-07-01 false Ionizing radiation. 1926.53 Section 1926.53 Labor... § 1926.53 Ionizing radiation. (a) In construction and related activities involving the use of sources of ionizing radiation, the pertinent provisions of the Nuclear Regulatory Commission's Standards...

  8. 29 CFR 1926.53 - Ionizing radiation.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 8 2013-07-01 2013-07-01 false Ionizing radiation. 1926.53 Section 1926.53 Labor... § 1926.53 Ionizing radiation. (a) In construction and related activities involving the use of sources of ionizing radiation, the pertinent provisions of the Nuclear Regulatory Commission's Standards...

  9. 29 CFR 1926.53 - Ionizing radiation.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 8 2012-07-01 2012-07-01 false Ionizing radiation. 1926.53 Section 1926.53 Labor... § 1926.53 Ionizing radiation. (a) In construction and related activities involving the use of sources of ionizing radiation, the pertinent provisions of the Nuclear Regulatory Commission's Standards...

  10. Effect of organic matter on CO(2) hydrate phase equilibrium in phyllosilicate suspensions.

    PubMed

    Park, Taehyung; Kyung, Daeseung; Lee, Woojin

    2014-06-17

    In this study, we examined various CO2 hydrate phase equilibria under diverse, heterogeneous conditions, to provide basic knowledge for successful ocean CO2 sequestration in offshore marine sediments. We investigated the effect of geochemical factors on CO2 hydrate phase equilibrium. The three-phase (liquid-hydrate-vapor) equilibrium of CO2 hydrate in the presence of (i) organic matter (glycine, glucose, and urea), (ii) phyllosilicates [illite, kaolinite, and Na-montmorillonite (Na-MMT)], and (iii) mixtures of them was measured in the ranges of 274.5-277.0 K and 14-22 bar. Organic matter inhibited the phase equilibrium of CO2 hydrate by association with water molecules. The inhibition effect decreased in the order: urea < glycine < glucose. Illite and kaolinite (unexpandable clays) barely affected the CO2 hydrate phase equilibrium, while Na-MMT (expandable clay) affected the phase equilibrium because of its interlayer cations. The CO2 hydrate equilibrium conditions, in the illite and kaolinite suspensions with organic matter, were very similar to those in the aqueous organic matter solutions. However, the equilibrium condition in the Na-MMT suspension with organic matter changed because of reduction of its inhibition effect by intercalated organic matter associated with cations in the Na-MMT interlayer.

  11. Out-of-equilibrium phenomena and Transport in Cold Atoms

    NASA Astrophysics Data System (ADS)

    Giamarchi, Thierry

    superfluidity and thermally activated transport which leads to a conductance minimum and poses several theoretical questions for its theoretical description. Work supported in part by Swiss NSF under division II and the ARO-MURI Non-equilibrium Many-body Dynamics Grant (W911NF-14-1-0003).

  12. Electron-Impact Ionization and Dissociative Ionization of Biomolecules

    NASA Technical Reports Server (NTRS)

    Huo, Winifred M.; Chaban, Galina M.; Dateo, Christopher E.

    2006-01-01

    It is well recognized that secondary electrons play an important role in radiation damage to humans. Particularly important is the damage of DNA by electrons, potentially leading to mutagenesis. Molecular-level study of electron interaction with DNA provides information on the damage pathways and dominant mechanisms. Our study of electron-impact ionization of DNA fragments uses the improved binary-encounter dipole model and covers DNA bases, sugar phosphate backbone, and nucleotides. An additivity principle is observed. For example, the sum of the ionization cross sections of the separate deoxyribose and phosphate fragments is in close agreement with the C3(sup prime)- and C5 (sup prime)-deoxyribose-phospate cross sections, differing by less than 5%. Investigation of tandem double lesion initiated by electron-impact dissociative ionization of guanine, followed by proton reaction with the cytosine in the Watson-Crick pair, is currently being studied to see if tandem double lesion can be initiated by electron impact. Up to now only OH-induced tandem double lesion has been studied.

  13. Determination of Equilibrium Constants of Metal Complexes from Spectrophotometric Measurements. An Undergraduate Laboratory Experiment

    NASA Astrophysics Data System (ADS)

    Ibañez, Gabriela A.; Olivieri, Alejandro C.; Escandar*, Graciela M.

    1999-09-01

    We describe an undergraduate laboratory practice involving the determination of complex equilibrium constants by spectrophotometric techniques. The results are obtained through model fitting using a computer program. As an example of these determinations, salicylic acid was selected and evaluated in the presence of copper(II) ion. The experimental conditions, general procedures, and computational strategem are discussed.

  14. Systematic Approach to Calculate the Concentration of Chemical Species in Multi-Equilibrium Problems

    ERIC Educational Resources Information Center

    Baeza-Baeza, Juan Jose; Garcia-Alvarez-Coque, Maria Celia

    2011-01-01

    A general systematic approach is proposed for the numerical calculation of multi-equilibrium problems. The approach involves several steps: (i) the establishment of balances involving the chemical species in solution (e.g., mass balances, charge balance, and stoichiometric balance for the reaction products), (ii) the selection of the unknowns (the…

  15. Non-equilibrium Thermodynamics of Rayleigh-Taylor instability

    NASA Astrophysics Data System (ADS)

    Sengupta, Tapan K.; Sengupta, Aditi; Shruti, K. S.; Sengupta, Soumyo; Bhole, Ashish

    2016-10-01

    Rayleigh-Taylor instability (RTI) has been studied here as a non-equilibrium thermodynamics problem. Air masses with temperature difference of 70K, initially with heavier air resting on lighter air isolated by a partition, are allowed to mix by impulsively removing the partition. This results in interface instabilities, which are traced here by solving two dimensional (2D) compressible Navier-Stokes equation (NSE), without using Boussinesq approximation (BA henceforth). The non-periodic isolated system is studied by solving NSE by high accuracy, dispersion relation preserving (DRP) numerical methods described in Sengupta T.K.: High Accuracy Computing Method (Camb. Univ. Press, USA, 2013). The instability onset is due to misaligned pressure and density gradients and is evident via creation and evolution of spikes and bubbles (when lighter fluid penetrates heavier fluid and vice versa, associated with pressure waves). Assumptions inherent in compressible formulation are: (i) Stokes' hypothesis that uses zero bulk viscosity assumption and (ii) the equation of state for perfect gas which is a consequence of equilibrium thermodynamics. Present computations for a non-equilibrium thermodynamic process do not show monotonic rise of entropy with time, as one expects from equilibrium thermodynamics. This is investigated with respect to the thought-experiment. First, we replace Stokes' hypothesis, with another approach where non-zero bulk viscosity of air is taken from an experiment. Entropy of the isolated system is traced, with and without the use of Stokes' hypothesis. Without Stokes' hypothesis, one notes the rate of increase in entropy to be higher as compared to results with Stokes' hypothesis. We show this using the total entropy production for the thermodynamically isolated system. The entropy increase from the zero datum is due to mixing in general; punctuated by fluctuating entropy due to creation of compression and rarefaction fronts originating at the interface

  16. Depolarizing collisions with hydrogen: Neutral and singly ionized alkaline earths

    SciTech Connect

    Manso Sainz, Rafael; Ramos, Andrés Asensio; Bueno, Javier Trujillo; Aguado, Alfredo

    2014-06-20

    Depolarizing collisions are elastic or quasielastic collisions that equalize the populations and destroy the coherence between the magnetic sublevels of atomic levels. In astrophysical plasmas, the main depolarizing collider is neutral hydrogen. We consider depolarizing rates on the lowest levels of neutral and singly ionized alkali earths Mg I, Sr I, Ba I, Mg II, Ca II, and Ba II, due to collisions with H°. We compute ab initio potential curves of the atom-H° system and solve the quantum mechanical dynamics. From the scattering amplitudes, we calculate the depolarizing rates for Maxwellian distributions of colliders at temperatures T ≤ 10,000 K. A comparative analysis of our results and previous calculations in the literature is completed. We discuss the effect of these rates on the formation of scattering polarization patterns of resonant lines of alkali earths in the solar atmosphere, and their effect on Hanle effect diagnostics of solar magnetic fields.

  17. Time Dependent Nonequilibrium Ionization of Transition Region Lines Observed with IRIS

    NASA Astrophysics Data System (ADS)

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo H.; Gudiksen, Boris

    2016-01-01

    The properties of nonstatistical equilibrium ionization of silicon and oxygen ions are analyzed in this work. We focus on five solar targets (quiet Sun; coronal hole; plage; quiescent active region, AR; and flaring AR) as observed with the Interface Region Imaging Spectrograph (IRIS). IRIS is best suited for this work owing to the high cadence (up to 0.5 s), high spatial resolution (up to 0.″32), and high signal-to-noise ratios for O iv λ1401 and Si iv λ1402. We find that the observed intensity ratio between lines of three times ionized silicon and oxygen ions depends on their total intensity and that this correlation varies depending on the region observed (quiet Sun, coronal holes, plage, or active regions) and on the specific observational objects present (spicules, dynamic loops, jets, microflares, or umbra). In order to interpret the observations, we compare them with synthetic profiles taken from 2D self-consistent radiative MHD simulations of the solar atmosphere, where the statistical equilibrium or nonequilibrium treatment of silicon and oxygen is applied. These synthetic observations show vaguely similar correlations to those in the observations, i.e., between the intensity ratios and their intensities, but only in the nonequilibrium case do we find that (some of) the observations can be reproduced. We conclude that these lines are formed out of statistical equilibrium. We use our time-dependent nonequilibrium ionization simulations to describe the physical mechanisms behind these observed properties.

  18. TIME DEPENDENT NONEQUILIBRIUM IONIZATION OF TRANSITION REGION LINES OBSERVED WITH IRIS

    SciTech Connect

    Martínez-Sykora, Juan; Pontieu, Bart De; Hansteen, Viggo H.; Gudiksen, Boris

    2016-01-20

    The properties of nonstatistical equilibrium ionization of silicon and oxygen ions are analyzed in this work. We focus on five solar targets (quiet Sun; coronal hole; plage; quiescent active region, AR; and flaring AR) as observed with the Interface Region Imaging Spectrograph (IRIS). IRIS is best suited for this work owing to the high cadence (up to 0.5 s), high spatial resolution (up to 0.″32), and high signal-to-noise ratios for O iv λ1401 and Si iv λ1402. We find that the observed intensity ratio between lines of three times ionized silicon and oxygen ions depends on their total intensity and that this correlation varies depending on the region observed (quiet Sun, coronal holes, plage, or active regions) and on the specific observational objects present (spicules, dynamic loops, jets, microflares, or umbra). In order to interpret the observations, we compare them with synthetic profiles taken from 2D self-consistent radiative MHD simulations of the solar atmosphere, where the statistical equilibrium or nonequilibrium treatment of silicon and oxygen is applied. These synthetic observations show vaguely similar correlations to those in the observations, i.e., between the intensity ratios and their intensities, but only in the nonequilibrium case do we find that (some of) the observations can be reproduced. We conclude that these lines are formed out of statistical equilibrium. We use our time-dependent nonequilibrium ionization simulations to describe the physical mechanisms behind these observed properties.

  19. Ionization Potential Depression in Hot Dense Plasmas Through a Pure Classical Model

    NASA Astrophysics Data System (ADS)

    Calisti, A.; Ferri, S.; Talin, B.

    2015-05-01

    The ionization potential of an ion embedded in a plasma, lowered due to the whole of the charged particles (ions and electrons) interacting with this ion, is the so-called plasma effect. A numerical plasma model based on classical molecular dynamics has been developed recently. It is capable to describe a neutral plasma at equilibrium involving ions of various charge states of the same atom together with electrons. This code is used here to investigate the ionization potential depression (IPD). The study of the IPD is illustrated and discussed for aluminum plasmas at mid and solid density and electron temperatures varying from 50eV to 190eV. The method relies on a sampling of the total potential energy of the electron located at an ion being ionized. The potential energy of such electron results from all of the interacting charged particles interacting with it.

  20. Local Nash equilibrium in social networks.

    PubMed

    Zhang, Yichao; Aziz-Alaoui, M A; Bertelle, Cyrille; Guan, Jihong

    2014-08-29

    Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures.

  1. On the formation of Mg ii h and k lines in solar prominences

    NASA Astrophysics Data System (ADS)

    Heinzel, P.; Vial, J.-C.; Anzer, U.

    2014-04-01

    Aims: With the recent launch of the IRIS mission, it has become urgent to develop the spectral diagnostics using the Mg ii resonance h and k lines. In this paper, we aim to demonstrate the behavior of these lines under various prominence conditions. Our results serve as a basis for analysis of new IRIS data and for more sophisticated prominence modeling. Methods: For this exploratory work, we use a canonical 1D prominence-slab model, which is isobaric and may have three different temperature structures: isothermal, PCTR-like (prominence-corona transition region), and consistent with the radiative equilibrium. The slabs are illuminated by a realistic incident solar radiation obtained from the UV observations. A five-level plus continuum Mg ii model atom is used to solve the full NLTE problem of the radiative transfer. We use the numerical code based on the ALI techniques and apply the partial frequency redistribution for both Mg ii resonance lines. We also use the velocity-dependent boundary conditions to study the effect of Doppler dimming in the case of moving prominences. Finally, the relaxation technique is used to compute a grid of models in radiative equilibrium. Results: We computed the Mg ii h and k line profiles that are emergent from prominence-slab models and show their dependence on kinetic temperature, gas pressure, geometrical extension, and microturbulent velocity. By increasing the line opacity, significant departures from the complete frequency redistribution take place in the line wings. Models with a PCTR temperature structure show that Mg ii becomes ionized to Mg iii in the temperature range between roughly 15 000 and 30 000 K. Doppler dimming is significant for Mg ii resonance lines. At the velocity 300 km s-1, the line intensity decreases to about 20% of the value for static prominences. Finally, we demonstrate the role of Mg ii h and k radiation losses on the prominence energy balance. Their dominant role is at lower pressures, while the

  2. Teaching Chemical Equilibrium with the Jigsaw Technique

    NASA Astrophysics Data System (ADS)

    Doymus, Kemal

    2008-03-01

    This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students’ understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes was randomly assigned as the non-jigsaw group (control) and other as the jigsaw group (cooperative). Students participating in the jigsaw group were divided into four “home groups” since the topic chemical equilibrium is divided into four subtopics (Modules A, B, C and D). Each of these home groups contained four students. The groups were as follows: (1) Home Group A (HGA), representin g the equilibrium state and quantitative aspects of equilibrium (Module A), (2) Home Group B (HGB), representing the equilibrium constant and relationships involving equilibrium constants (Module B), (3) Home Group C (HGC), representing Altering Equilibrium Conditions: Le Chatelier’s principle (Module C), and (4) Home Group D (HGD), representing calculations with equilibrium constants (Module D). The home groups then broke apart, like pieces of a jigsaw puzzle, and the students moved into jigsaw groups consisting of members from the other home groups who were assigned the same portion of the material. The jigsaw groups were then in charge of teaching their specific subtopic to the rest of the students in their learning group. The main data collection tool was a Chemical Equilibrium Achievement Test (CEAT), which was applied to both the jigsaw and non-jigsaw groups The results indicated that the jigsaw group was more successful than the non-jigsaw group (individual learning method).

  3. Ionizing radiation and cancer prevention.

    PubMed Central

    Hoel, D G

    1995-01-01

    Ionizing radiation long has been recognized as a cause of cancer. Among environmental cancer risks, radiation is unique in the variety of organs and tissues that it can affect. Numerous epidemiological studies with good dosimetry provide the basis for cancer risk estimation, including quantitative information derived from observed dose-response relationships. The amount of cancer attributable to ionizing radiation is difficult to estimate, but numbers such as 1 to 3% have been suggested. Some radiation-induced cancers attributable to naturally occurring exposures, such as cosmic and terrestrial radiation, are not preventable. The major natural radiation exposure, radon, can often be reduced, especially in the home, but not entirely eliminated. Medical use of radiation constitutes the other main category of exposure; because of the importance of its benefits to one's health, the appropriate prevention strategy is to simply work to minimize exposures. PMID:8741791

  4. Time-dependent excitation and ionization modelling of absorption-line variability due to GRB 080310

    NASA Astrophysics Data System (ADS)

    Vreeswijk, P. M.; Ledoux, C.; Raassen, A. J. J.; Smette, A.; De Cia, A.; Woźniak, P. R.; Fox, A. J.; Vestrand, W. T.; Jakobsson, P.

    2013-01-01

    We model the time-variable absorption of Fe II, Fe III, Si II, C II and Cr II detected in Ultraviolet and Visual Echelle Spectrograph (UVES) spectra of gamma-ray burst (GRB) 080310, with the afterglow radiation exciting and ionizing the interstellar medium in the host galaxy at a redshift of z = 2.42743. To estimate the rest-frame afterglow brightness as a function of time, we use a combination of the optical VRI photometry obtained by the RAPTOR-T telescope array, which is presented in this paper, and Swift's X-Ray Telescope (XRT) observations. Excitation alone, which has been successfully applied for a handful of other GRBs, fails to describe the observed column density evolution in the case of GRB 080310. Inclusion of ionization is required to explain the column density decrease of all observed Fe II levels (including the ground state 6D9/2) and increase of the Fe III 7S3 level. The large population of ions in this latter level (up to 10% of all Fe III) can only be explained through ionization of Fe II, as a large fraction of the ionized Fe II ions (we calculate 31% using the Flexible Atomic and Cowan codes) initially populate the 7S3 level of Fe III rather than the ground state. This channel for producing a significant Fe III 7S3 level population may be relevant for other objects in which absorption lines from this level, the UV34 triplet, are observed, such as broad absorption line (BAL) quasars and η Carinae. This provides conclusive evidence for time-variable ionization in the circumburst medium, which to date has not been convincingly detected. However, the best-fit distance of the neutral absorbing cloud to the GRB is 200-400 pc, i.e. similar to GRB-absorber distance estimates for GRBs without any evidence for ionization. We find that the presence of time-varying ionization in GRB 080310 is likely due to a combination of the super-solar iron abundance ([Fe/H] = +0.2) and the low H I column density (log N(H i) = 18.7) in the host of GRB 080310. Finally

  5. Effects of Ionization Feedback in Massive Star Formation

    NASA Astrophysics Data System (ADS)

    Peters, Thomas; Banerjee, R.; Klessen, R. S.; Mac Low, M.

    2009-01-01

    We present 3D high-resolution radiation-hydrodynamical simulations of massive star formation. We model the collapse of a massive molecular cloud core forming a high-mass star in its center. We use a version of the FLASH code that has been extended by including sink particles which are a source of both ionizing and non-ionizing radiation. The sink particles evolve according to a prestellar model which determines the stellar and accretion luminosities. Radiation transfer is done using the hybrid characteristics raytracing approach on the adaptive mesh developed by Rijkhorst et al. (2006). The radiative transfer module has been augmented to allow simulations with arbitrarily high resolution. Our highest resolution models resolve the disk scale height by at least 16 zones. Opacities for non-ionizing radiation have been added to account for the accretion heating, which is expected to be strong at the initial stage of star formation and believed to prevent fragmentation. Studies of collapsing massive cores show the formation of a gravitationally highly unstable disk. The accretion heating is not strong enough to suppress this instability. The ionizing radiation builds up an H II region around the protostar, which destroys the accretion disk close to it. We describe preliminary results, with a focus on how long the H II region remains confined by the accretion flow, and whether it can ever cut off accretion entirely. Thomas Peters acknowledges support from a Kade Fellowship for his visit to the American Museum of Natural History. He is a fellow of the International Max Planck Research School for Astronomy and Cosmic Physics at the University of Heidelberg and the Heidelberg Graduate School of Fundamental Physics. We also thank the DFG for support via the Emmy Noether Grant BA 3607/1 and the individual grant KL1358/5.

  6. Low-density ionization behavior

    SciTech Connect

    Baker, G.A. Jr.

    1995-04-01

    As part of a continuing study of the physics of matter under extreme conditions, I give some results on matter at extremely low density. In particular I compare a quantum mechanical calculation of the pressure for atomic hydrogen with the corresponding pressure given by Thomas-Fermi theory. (This calculation differs from the ``confined atom`` approximation in a physically significant way.) Since Thomas-Fermi theory in some sense, represents the case of infinite nuclear charge, these cases should represent extremes. Comparison is also made with Saha theory, which considers ionization from a chemical point of view, but is weak on excited-state effects. In this theory, the pressure undergoes rapid variation as electron ionization levels are passed. This effect is in contrast to the smooth behavior of the Thomas-Fermi fixed temperature, complete ionization occurs in the low density limit, I study the case where the temperature goes appropriately to zero with the density. Although considerable modification is required, Saha theory is closer to the actual results for this case than is Thomas-Fermi theory.

  7. Theory of dissociative tunneling ionization

    NASA Astrophysics Data System (ADS)

    Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

    2016-05-01

    We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees of freedom. In the regime where the BO approximation is applicable, imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally, the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fields, where the BO approximation does not apply, the weak-field asymptotic theory describes the spectrum accurately.

  8. Polarization phenomena in multiphoton ionization of atoms.

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.

    1973-01-01

    The theory of multiphoton ionization for an atomic system of arbitrary complexity is developed using a density matrix formalism. An expression is obtained which determines the differential N-photon ionization cross section as a function of the polarization states of the target atom and the incident radiation. The parameters which characterize the photo-electron angular distribution are related to the general reduced matrix elements for the N-photon transition. Two-photon ionization of unpolarized atoms is treated as an illustration of the use of the theory. The dependence of the multiphoton ionization cross section on the polarization state of the incident radiation, which has been observed in two- and three-photon ionization of Cs, is accounted for by the theory. Finally, the photoelectron spin polarization produced by the multiphoton ionization of unpolarized atoms, like the analogous polarization resulting from single-photon ionization, is found to depend on the circular polarization of the incident radiation.

  9. Polarization phenomena in multiphoton ionization of atoms

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.

    1973-01-01

    The theory of multiphoton ionization for an atomic system of arbitrary complexity is developed using a density matrix formalism. An expression is obtained which determines the differential N-photon ionization cross section as a function of the polarization states of the target atom and the incident radiation. The parameters which characterize the photoelectron angular distribution are related to the general reduced matrix elements for the N-photon transition. Two-photon ionization of unpolarized atoms is treated as an illustration of the use of the theory. The dependence of the multiphoton ionization cross section on the polarization state of the incident radiation, which has been observed in two- and three-photon ionization of Cs, is accounted for by the theory. Finally, the photoelectron spin polarization produced by the multiphoton ionization of unpolarized atoms, like the analogous polarization resulting from single-photon ionization, is found to depend on the circular polarization of the incident radiation.

  10. The Conceptual Change Approach to Teaching Chemical Equilibrium

    ERIC Educational Resources Information Center

    Canpolat, Nurtac; Pinarbasi, Tacettin; Bayrakceken, Samih; Geban, Omer

    2006-01-01

    This study investigates the effect of a conceptual change approach over traditional instruction on students' understanding of chemical equilibrium concepts (e.g. dynamic nature of equilibrium, definition of equilibrium constant, heterogeneous equilibrium, qualitative interpreting of equilibrium constant, changing the reaction conditions). This…

  11. Photoevaporated Flows from H II Regions

    NASA Astrophysics Data System (ADS)

    Lizano, Susana; Canto, Jorge; Garay, Guido; Hollenbach, David

    1996-09-01

    We model the dynamics of a fast, isothermal ionized stellar wind loaded with mass injected from photoevaporated globules surrounding the massive star. The effect of the mass injection is to produce a density profile such that the ionization front can be trapped for 105 yr, depending on the physical characteristics of the neutral globules inside the H II region. We find that for neutral globules with sizes Rg 0.01 pc, masses of Mg ˜ 1 Msun, and number densities Ng ˜ 2x 104 pc-3, thought to be representative of globules in regions of massive star formation, the implied mean density and size of the mass-loaded regions of ionized gas are about 103-104 cm-3 and about 0.1 pc, respectively, similar to those of compact H II regions. Dust absorption of ionizing photons is important and decreases the densities of the mass-loaded winds with respect to their dust-free counterparts. Also, mass-loaded winds with dust evolve more slowly, since the dusty globules survive for longer times than the dust-free ones. Our models predict ionized flows with mass flow rates of Mdot ˜ 10-5 to 10-4 Msun yr-1. These ionized flows could be studied in radio recombination lines. Assuming Ng does not decline sharply with distance to the central star, the ionized flow will recombine after the characteristic "Strömgren" radius rS at which the ionizing photon rate goes to zero. Therefore, after this radius a neutral flow will accelerate adiabatically to a terminal velocity of VHI ˜ 40 km s-1. Neutral flows of this type could be searched for in the neutral hydrogen line at 21 cm in absorption against the continuum of the compact H II regions.

  12. MALDI time-of-flight mass spectrometry and thermogravimetric analysis of Mg(II), Ca(II), Cu(II), Zn(II) and Pt(II) adducts with monomethoxypolyethylene glycol 5000

    NASA Astrophysics Data System (ADS)

    Mwelase, S. R.; Bariyanga, J.

    2002-05-01

    We have prepared and isolated complexes of Mg(II), Ca(II), Cu(II), Zn(II) and Pt(II) with monomethoxypolyethylene glycol 5000 in a pH 7 buffer at 40 °C in order to study the interaction of this polymer carrier with the ions likely to be found in the human body. Their characterization was done by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry, Fourier transform infrared, UV-Vis spectrophotometry, thermogravimetry and elemental analysis. The mass spectra allowed us to determine not only the molecular weights but also the nature of the complexes and the findings were in agreement with the elementary analysis data. The calcium ion was found not directly linked to polyethylene glycol but through water molecules. The overall results indicated strong bonding for Cu(II) and Zn(II) complexes and weak interactions for Mg(II), Ca(II) and Pt(II).

  13. MEASURING NEBULAR TEMPERATURES: THE EFFECT OF NEW COLLISION STRENGTHS WITH EQUILIBRIUM AND {kappa}-DISTRIBUTED ELECTRON ENERGIES

    SciTech Connect

    Nicholls, David C.; Dopita, Michael A.; Sutherland, Ralph S.; Kewley, Lisa J.; Palay, Ethan

    2013-08-15

    In this paper we develop tools for observers to use when analyzing nebular spectra for temperatures and metallicities, with two goals: to present a new, simple method to calculate equilibrium electron temperatures for collisionally excited line flux ratios, using the latest atomic data; and to adapt current methods to include the effects of possible non-equilibrium ''{kappa}'' electron energy distributions. Adopting recent collision strength data for [O III], [S III], [O II], [S II], and [N II], we find that existing methods based on older atomic data seriously overestimate the electron temperatures, even when considering purely Maxwellian statistics. If {kappa} distributions exist in H II regions and planetary nebulae as they do in solar system plasmas, it is important to investigate the observational consequences. This paper continues our previous work on the {kappa} distribution. We present simple formulaic methods that allow observers to (1) measure equilibrium electron temperatures and atomic abundances using the latest atomic data, and (2) to apply simple corrections to existing equilibrium analysis techniques to allow for possible non-equilibrium effects. These tools should lead to better consistency in temperature and abundance measurements, and a clearer understanding of the physics of H II regions and planetary nebulae.

  14. Radiative-dynamical equilibrium states for Jupiter

    NASA Technical Reports Server (NTRS)

    Trafton, L. M.; Stone, P. H.

    1974-01-01

    In order to obtain accurate estimates of the radiative heating that drives motions in Jupiter's atmosphere, previous radiative equilibrium calculations are improved by including the NH3 opacities and updated results for the pressure-induced opacities. These additions increase the radiative lapse rate near the top of the statically unstable region and lead to a fairly constant radiative lapse rate below the tropopause. The radiative-convective equilibrium temperature structure consistent with these changes is calculated, but it differs only slightly from earlier calculations. The radiative equilibrium calculations are used to calculate whether equilibrium states can occur on Jupiter which are similar to the baroclinic instability regimes on the earth and Mars. The results show that Jupiter's dynamical regime cannot be of this kind, except possibly at very high latitudes, and that its regime must be a basically less stable one than this kind.

  15. Rapid Equilibrium-Ordered Enzyme Mechanisms.

    ERIC Educational Resources Information Center

    Chauncey, Thomas R.; And Others

    1985-01-01

    Discusses: (1) characteristic initial velocity behavior (considering the five-step reaction sequence for rapid equilibrium-order bisubstrate mechanisms); (2) dead-end inhibition; (3) inhibition by single products; and (4) an activator as a leading reactant. (JN)

  16. Stochastic approach to equilibrium and nonequilibrium thermodynamics.

    PubMed

    Tomé, Tânia; de Oliveira, Mário J

    2015-04-01

    We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.

  17. Equilibrium capillary forces with atomic force microscopy.

    PubMed

    Sprakel, J; Besseling, N A M; Leermakers, F A M; Cohen Stuart, M A

    2007-09-07

    We present measurements of equilibrium forces resulting from capillary condensation. The results give access to the ultralow interfacial tensions between the capillary bridge and the coexisting bulk phase. We demonstrate this with solutions of associative polymers and an aqueous mixture of gelatin and dextran, with interfacial tensions around 10 microN/m. The equilibrium nature of the capillary forces is attributed to the combination of a low interfacial tension and a microscopic confinement geometry, based on nucleation and growth arguments.

  18. Edge Equilibrium Code (EEC) For Tokamaks

    SciTech Connect

    Li, Xujling

    2014-02-24

    The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids

  19. Approaches to the Treatment of Equilibrium Perturbations

    NASA Astrophysics Data System (ADS)

    Canagaratna, Sebastian G.

    2003-10-01

    Perturbations from equilibrium are treated in the textbooks by a combination of Le Châtelier's principle, the comparison of the equilibrium constant K with the reaction quotient Q,and the kinetic approach. Each of these methods is briefly reviewed. This is followed by derivations of the variation of the equilibrium value of the extent of reaction, ξeq, with various parameters on which it depends. Near equilibrium this relationship can be represented by a straight line. The equilibrium system can be regarded as moving on this line as the parameter is varied. The slope of the line depends on quantities like enthalpy of reaction, volume of reaction and so forth. The derivation shows that these quantities pertain to the equilibrium system, not the standard state. Also, the derivation makes clear what kind of assumptions underlie our conclusions. The derivation of these relations involves knowledge of thermodynamics that is well within the grasp of junior level physical chemistry students. The conclusions that follow from the derived relations are given as subsidiary rules in the form of the slope of ξeq, with T, p, et cetera. The rules are used to develop a visual way of predicting the direction of shift of a perturbed system. This method can be used to supplement one of the other methods even at the introductory level.

  20. Inferring unstable equilibrium configurations from experimental data

    NASA Astrophysics Data System (ADS)

    Virgin, L. N.; Wiebe, R.; Spottswood, S. M.; Beberniss, T.

    2016-09-01

    This research considers the structural behavior of slender, mechanically buckled beams and panels of the type commonly found in aerospace structures. The specimens were deflected and then clamped in a rigid frame in order to exhibit snap-through. That is, the initial equilibrium and the buckled (snapped-through) equilibrium configurations both co-existed for the given clamped conditions. In order to transit between these two stable equilibrium configurations (for example, under the action of an externally applied load), it is necessary for the structural component to pass through an intermediate unstable equilibrium configuration. A sequence of sudden impacts was imparted to the system, of various strengths and at various locations. The goal of this impact force was to induce relatively intermediate-sized transients that effectively slowed-down in the vicinity of the unstable equilibrium configuration. Thus, monitoring the velocity of the motion, and specifically its slowing down, should give an indication of the presence of an equilibrium configuration, even though it is unstable and not amenable to direct experimental observation. A digital image correlation (DIC) system was used in conjunction with an instrumented impact hammer to track trajectories and statistical methods used to infer the presence of unstable equilibria in both a beam and a panel.

  1. Electron-Impact Excitation Cross Sections for Modeling Non-Equilibrium Gas

    NASA Technical Reports Server (NTRS)

    Huo, Winifred M.; Liu, Yen; Panesi, Marco; Munafo, Alessandro; Wray, Alan; Carbon, Duane F.

    2015-01-01

    In order to provide a database for modeling hypersonic entry in a partially ionized gas under non-equilibrium, the electron-impact excitation cross sections of atoms have been calculated using perturbation theory. The energy levels covered in the calculation are retrieved from the level list in the HyperRad code. The downstream flow-field is determined by solving a set of continuity equations for each component. The individual structure of each energy level is included. These equations are then complemented by the Euler system of equations. Finally, the radiation field is modeled by solving the radiative transfer equation.

  2. The level structure of singly-ionized actinium

    NASA Astrophysics Data System (ADS)

    Ürer, Güldem; Özdemir, Leyla

    2012-08-01

    We have presented a multiconfiguration Dirac-Fock (MCDF) study in the framework of Breit and quantum electrodynamic (QED) effects on the low-lying level structure of singly-ionized actinium (Ac II). The computations have been carried out for 16 even- and 40 odd-parity levels. Excitation energies and electric dipole transition parameters, such as wavelengths, oscillator strengths and transition probabilities (or rates), for these low-lying levels have been reported. Results obtained have been compared with other available works in the literature.

  3. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    NASA Astrophysics Data System (ADS)

    Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; Ji, Wei

    2015-08-01

    Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Important swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. It is shown that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.

  4. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    DOE PAGES

    Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; ...

    2015-08-04

    Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Importantmore » swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.« less

  5. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    SciTech Connect

    Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; Ji, Wei

    2015-08-04

    Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Important swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.

  6. Equilibrium and Non-Equilibrium Condensation Phenomena in Tuneable 3D and 2D Bose Gases

    DTIC Science & Technology

    2016-04-01

    equilibrium and non-equilibrium many-body phenomena, trapping ultracold atomic gases in different geometries including both 3 and 2 spatial dimensions...box trap we created the world’s first atomic BEC in a quasi-uniform potential. 15. SUBJECT TERMS EOARD, Bose gas, ultracold, condensation, equilibrium... atom trap, Bose-Einstein condensate 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT SAR 18. NUMBER OF PAGES 3 19a. NAME OF RESPONSIBLE

  7. Kinematics of the ionized gas in the Local Group irregular galaxy IC 1613

    NASA Astrophysics Data System (ADS)

    Valdez-Gutiérrez, M.; Rosado, M.; Georgiev, L.; Borissova, J.; Kurtev, R.

    2001-01-01

    We present Hα and [S Ii] observations for the Local Group irregular galaxy IC 1613 using the PUMA scanning Fabry-Perot interferometer. Our goal is to analyze the kinematics of the ionized gas in the complex sample of superbubbles located in the whole extension of our field (10\\arcmin ), which includes most of the optical emission of this galaxy, and to study the inter-relationship between young stellar associations and nebulae based on a previous study that we have made on the stellar associations of the central region of this galaxy. The ionized gas in this galaxy is distributed in classical H Ii regions and in a series of superbubbles (also called giant shells) covering a large fraction of the optical extent of the galaxy. We present a catalog of kinematical properties of both the H Ii regions of this galaxy and the superbubbles. We have also compared the kinematics of the ionized gas in H Ii regions to search for possible dynamic differences between neutral and ionized gas.

  8. Ionization structure of multiple-shell planetary nebulae. I. NGC 2438

    NASA Astrophysics Data System (ADS)

    Öttl, S.; Kimeswenger, S.; Zijlstra, A. A.

    2014-05-01

    Context. In recent times an increasing number of extended haloes and multiple shells around planetary nebulae have been discovered. These faint extensions to the main nebula trace the mass-loss history of the star, modified by the subsequent evolution of the nebula. Integrated models predict that some haloes may be recombining, and thus are not in ionization equilibrium. But parameters such as the ionization state and thus the contiguous excitation process are only poorly known. The haloes are very extended, but faint in surface brightness -103 times lower than the main nebula. The observational limits call for an extremely well studied main nebula, to model the processes in the shells and haloes of one object. NGC 2438 is a perfect candidate to explore the physical characteristics of the halo. Aims: The aim is to derive a complete data set of the main nebula. This allows us to derive the physical conditions from photoionization models, such as temperature, density and ionization, and clumping. These models are used to derive whether the halo is in ionization equilibrium. Methods: Long-slit spectroscopic data at various positions in the nebula were obtained at the ESO 3.6 m and the SAAO 1.9 m telescope. These data were supplemented by imaging data from the HST archive and from the ESO 3.6 m telescope and by archival VLA observations. The use of diagnostic diagrams draws limits for physical properties in the models. The photoionization code CLOUDY was used to model the nebular properties and to derive a more accurate distance and ionized mass. Results: We derive an accurate extinction EB - V = 0.16, and distance of 1.9 ± 0.2 kpc. This locates the nebula behind the nearby open cluster M46 and rules out membership. The low-excitation species are found to be dominated by clumps. The emission line ratios show no evidence for shocks. The filling factor increases with radius in the nebula. The electron densities in the main nebula are ~250 cm-3, dropping to ~10-30 in the

  9. Tracing direct and sequential two-photon double ionization of D{sub 2} in femtosecond extreme-ultraviolet laser pulses

    SciTech Connect

    Jiang, Y. H.; Kurka, M.; Kuehnel, K. U.; Ergler, Th.; Schroeter, C. D.; Moshammer, R.; Rudenko, A.; Foucar, L.; Plesiat, E.; Perez-Torres, J. F.; Martin, F.; Herrwerth, O.; Lezius, M.; Kling, M. F.; Titze, J.; Jahnke, T.; Doerner, R.; Sanz-Vicario, J. L.; Schoeffler, M.; Tilborg, J. van

    2010-02-15

    Two-photon double ionization (TPDI) of D{sub 2} is studied for 38-eV photons at the Free Electron Laser in Hamburg (FLASH). Based on model calculations, instantaneous and sequential absorption pathways are identified as separated peaks in the measured D{sup +}+D{sup +} fragment kinetic energy release (KER) spectra. The instantaneous process appears at high KER, corresponding to ionization at the molecule's equilibrium distance, in contrast to sequential ionization mainly leading to low-KER contributions. Measured fragment angular distributions are in good agreement with theory.

  10. Ionizing Radiation and Its Risks

    PubMed Central

    Goldman, Marvin

    1982-01-01

    Penetrating ionizing radiation fairly uniformly puts all exposed molecules and cells at approximately equal risk for deleterious consequences. Thus, the original deposition of radiation energy (that is, the dose) is unaltered by metabolic characteristics of cells and tissue, unlike the situation for chemical agents. Intensely ionizing radiations, such as neutrons and alpha particles, are up to ten times more damaging than sparsely ionizing sources such as x-rays or gamma rays for equivalent doses. Furthermore, repair in cells and tissues can ameliorate the consequences of radiation doses delivered at lower rates by up to a factor of ten compared with comparable doses acutely delivered, especially for somatic (carcinogenic) and genetic effects from x- and gamma-irradiation exposure. Studies on irradiated laboratory animals or on people following occupational, medical or accidental exposures point to an average lifetime fatal cancer risk of about 1 × 10-4 per rem of dose (100 per 106 person-rem). Leukemia and lung, breast and thyroid cancer seem more likely than other types of cancer to be produced by radiation. Radiation exposures from natural sources (cosmic rays and terrestrial radioactivity) of about 0.1 rem per year yield a lifetime cancer risk about 0.1 percent of the normally occurring 20 percent risk of cancer death. An increase of about 1 percent per rem in fatal cancer risk, or 200 rem to double the “background” risk rate, is compared with an estimate of about 100 rem to double the genetic risk. Newer data suggest that the risks for low-level radiation are lower than risks estimated from data from high exposures and that the present 5 rem per year limit for workers is adequate. PMID:6761969

  11. Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

    NASA Technical Reports Server (NTRS)

    Gordon, Sanford; Mcbride, Bonnie J.

    1994-01-01

    This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

  12. Atomic physics and non-equilibrium plasmas

    SciTech Connect

    Weisheit, J.C.

    1986-04-25

    Three lectures comprise the report. The lecture, Atomic Structure, is primarily theoretical and covers four topics: (1) Non-relativistic one-electron atom, (2) Relativistic one-electron atom, (3) Non-relativistic many-electron atom, and (4) Relativistic many-electron atom. The lecture, Radiative and Collisional Transitions, considers the problem of transitions between atomic states caused by interactions with radiation or other particles. The lecture, Ionization Balance: Spectral Line Shapes, discusses collisional and radiative transitions when ionization and recombination processes are included. 24 figs., 11 tabs.

  13. Advanced Thin Ionization Calorimeter (ATIC)

    NASA Technical Reports Server (NTRS)

    Wefel, John P.

    1998-01-01

    This is the final report for NASA grant NAGW-4577, "Advanced Thin Ionization Calorimeter (ATIC)". This grant covered a joint project between LSU and the University of Maryland for a Concept Study of a new type of fully active calorimeter to be used to measure the energy spectra of very high energy cosmic rays, particularly Hydrogen and Helium, to beyond 1014 eV. This very high energy region has been studied with emulsion chamber techniques, but never investigated with electronic calorimeters. Technology had advanced to the point that a fully active calorimeter based upon Bismuth Germanate (BGO) scintillating crystals appeared feasible for balloon flight (and eventually space) experiments.

  14. The Tevatron Ionization Profile Monitors

    SciTech Connect

    Jansson, A.; Fitzpatrick, T.; Bowie, K.; Kwarciany, R.; Lundberg, C.; Slimmer, D.; Valerio, L.; Zagel, J.; /Fermilab

    2006-05-01

    In designing an ionization profile monitor system for the Tevatron some novel approaches were taken, in particular for the readout electronics. This was motivated by the desire to resolve the individual bunches in both beams simultaneously. For this purpose, custom made electronics originally developed for Particle Physics experiments was used to provide a fast charge integration with very low noise. The various parts of the read-out electronics have been borrowed or adapted from the KTev, CMS, MINOS and BTev experiments. The detector itself also had to be modified to provide clean signals with sufficient bandwidth. The system design will be described along with the initial results.

  15. XUV ionization of aligned molecules

    SciTech Connect

    Kelkensberg, F.; Siu, W.; Gademann, G.; Rouzee, A.; Vrakking, M. J. J.; Johnsson, P.; Lucchini, M.; Lucchese, R. R.

    2011-11-15

    New extreme-ultraviolet (XUV) light sources such as high-order-harmonic generation (HHG) and free-electron lasers (FELs), combined with laser-induced alignment techniques, enable novel methods for making molecular movies based on measuring molecular frame photoelectron angular distributions. Experiments are presented where CO{sub 2} molecules were impulsively aligned using a near-infrared laser and ionized using femtosecond XUV pulses obtained by HHG. Measured electron angular distributions reveal contributions from four orbitals and the onset of the influence of the molecular structure.

  16. Superponderomotive regime of tunneling ionization

    NASA Astrophysics Data System (ADS)

    Gordon, D. F.; Palastro, J. P.; Hafizi, B.

    2017-03-01

    Ultrarelativistic photoelectron spectra exhibit unexpected characteristics in a paraxial laser focus. The photoelectron energy scales superponderomotively, and the usual parabolic momentum distribution is distorted into a variety of intricate patterns, depending on the location of the ion. These patterns include discrete contours, which in some cases can be easily identified with a particular subcycle burst of ionization current. An analytical formula for the maximum photoelectron energy in a paraxial radiation field is given, and high-resolution momentum distributions with narrowly peaked features are presented. These narrowly peaked features suggest application to electron injection into plasma-based accelerators.

  17. Surface ionization mass spectrometry of drugs in the thermal and hyperthermal energy range -- a comparative study

    NASA Astrophysics Data System (ADS)

    Dagan, Shai; Amirav, Aviv; Fujü, Toshihiro

    1995-12-01

    Thermal and hyperthermal surface ionization (SI) mass spectra of nicotine, caffeine and lidocaine were obtained using a rhenium oxide surface. Thermal surface ionization was studied on an oxidized surface positioned inside an electron impact ion source, while hyperthermal surface ionization (HSI) was obtained upon seeding the compounds into a hydrogen or helium supersonic molecular beam that scattered from the rhenium oxide surface. Both HSI and SI provide rich, informative and complementary mass spectral information. The results indicate that SI follows thermal dissociation processes on the surface prior to the desorption of the ion, while in HSI no thermal equilibrium is established and the ionization process is impulsive, followed by mostly unimolecular ion dissociation. HSI mass spectra are similar to electron impact mass spectra in the fragment ion masses, but the observed relative intensities are different. HSI is a softer ionization method compared to SI, and enables the degree of ion fragmentation to be tuned so that it can be minimized to a low level at low molecular kinetic energy. In SI, limited control over the degree of fragmentation is possible through the surface temperature. The analytical mass spectrometric applications of SI and HSI are briefly mentioned.

  18. Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.; Lewis, Mark

    2010-01-01

    A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

  19. Understanding atom transfer radical polymerization: effect of ligand and initiator structures on the equilibrium constants.

    PubMed

    Tang, Wei; Kwak, Yungwan; Braunecker, Wade; Tsarevsky, Nicolay V; Coote, Michelle L; Matyjaszewski, Krzysztof

    2008-08-13

    Equilibrium constants in Cu-based atom transfer radical polymerization (ATRP) were determined for a wide range of ligands and initiators in acetonitrile at 22 degrees C. The ATRP equilibrium constants obtained vary over 7 orders of magnitude and strongly depend on the ligand and initiator structures. The activities of the Cu(I)/ligand complexes are highest for tetradentate ligands, lower for tridentate ligands, and lowest for bidentate ligands. Complexes with tripodal and bridged ligands (Me6TREN and bridged cyclam) tend to be more active than those with the corresponding linear ligands. The equilibrium constants are largest for tertiary alkyl halides and smallest for primary alkyl halides. The activities of alkyl bromides are several times larger than those of the analogous alkyl chlorides. The equilibrium constants are largest for the nitrile derivatives, followed by those for the benzyl derivatives and the corresponding esters. Other equilibrium constants that are not readily measurable were extrapolated from the values for the reference ligands and initiators. Excellent correlations of the equilibrium constants with the Cu(II/I) redox potentials and the carbon-halogen bond dissociation energies were observed.

  20. The phenotypic equilibrium of cancer cells: From average-level stability to path-wise convergence.

    PubMed

    Niu, Yuanling; Wang, Yue; Zhou, Da

    2015-12-07

    The phenotypic equilibrium, i.e. heterogeneous population of cancer cells tending to a fixed equilibrium of phenotypic proportions, has received much attention in cancer biology very recently. In the previous literature, some theoretical models were used to predict the experimental phenomena of the phenotypic equilibrium, which were often explained by different concepts of stabilities of the models. Here we present a stochastic multi-phenotype branching model by integrating conventional cellular hierarchy with phenotypic plasticity mechanisms of cancer cells. Based on our model, it is shown that: (i) our model can serve as a framework to unify the previous models for the phenotypic equilibrium, and then harmonizes the different kinds of average-level stabilities proposed in these models; and (ii) path-wise convergence of our model provides a deeper understanding to the phenotypic equilibrium from stochastic point of view. That is, the emergence of the phenotypic equilibrium is rooted in the stochastic nature of (almost) every sample path, the average-level stability just follows from it by averaging stochastic samples.