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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. NON-EQUILIBRIUM IONIZATION IN THE BIFROST STELLAR ATMOSPHERE CODE

    SciTech Connect

    Olluri, K.; Gudiksen, B. V.; Hansteen, V. H.

    2013-03-15

    The chromosphere and transition region have for the last 20 years been known to be quite dynamic layers of the solar atmosphere, characterized by timescales shorter than the ionization equilibrium timescales of many of the ions dominating emission in these regions. Due to the fast changes in the properties of the atmosphere, long ionization and recombination times can lead these ions to being found far from their equilibrium temperatures. A number of the spectral lines that we observe can therefore not be expected a priori to reflect information about local quantities such as the density or temperature, and interpreting observations requires numerical modeling. Modeling the ionization balance is computationally expensive and has earlier only been done in one dimension. However, one-dimensional models can primarily be used to investigate the possible importance of a physical effect, but cannot verify or disprove the importance of that effect in the fully three-dimensional solar atmosphere. Here, using the atomic database package DIPER, we extend one-dimensional methods and implement a solver for the rate equations of the full three-dimensional problem, using the numerical code Bifrost. We present our implementation and report on a few test cases. We also report on studies of the important C IV and Fe XII ions in a semi-realistic two-dimensional solar atmosphere model, focusing on differences between statistical equilibrium and non-equilibrium ionization results.

  7. Speeding Up Calculations Of The Non-equilibrium Ionization Model

    NASA Astrophysics Data System (ADS)

    Ji, Li; Noble, M.; Schulz, N. S.; Nowak, M. A.; Marshall, H. L.

    2008-03-01

    By taking advantage of the atomic data and physics from the equilibrium photoionization model of XSTAR, we are extending our non-equilibrium collisional ionization code to photoionized plasmas. The expanded model will allow us to study processes in a wide range of astrophysical scenarios -- such as colliding winds in X-ray binaries, outflows in AGNs, and shock flows in the IGM, but presents significant challenges. Chief among these are that the new model is expensive to compute and difficult to compare directly with HETG observations. We discuss how parallelism and modular software techniques are being brought to bear on these problems, in the context of several applications: (1) emission measurement analysis for the accretion disk corona of HerX-1, using XSTAR within the Parallel Virtual Machine; (2) using ISIS for direct ionization analysis and line diagnostics of the plane shock model, via our dynamically loadable interface to selected routines from the XSPEC vpshock model; and (3) computing atomic rates directly in ISIS by way of our dynamically loadable XSTAR module.

  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. NEBULAR: Spectrum synthesis for mixed hydrogen-helium gas in ionization equilibrium

    NASA Astrophysics Data System (ADS)

    Schirmer, Mischa

    2016-08-01

    NEBULAR synthesizes the spectrum of a mixed hydrogen helium gas in collisional ionization equilibrium. It is not a spectral fitting code, but it can be used to resample a model spectrum onto the wavelength grid of a real observation. It supports a wide range of temperatures and densities. NEBULAR includes free-free, free-bound, two-photon and line emission from HI, HeI and HeII. The code will either return the composite model spectrum, or, if desired, the unrescaled atomic emission coefficients. It is written in C++ and depends on the GNU Scientific Library (GSL).

  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. 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.

  12. 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…

  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. Approximate analytic solutions for the ionization structure of a pressure equilibrium Strömgren sphere

    NASA Astrophysics Data System (ADS)

    Tinoco Arenas, A.; González Bolívar, M.; Medina Covarrubias, R.; Raga, A. C.

    2015-10-01

    We present analytic models for a photoionized region in pressure equilibrium with the surrounding, neutral material. The models are based on the assumption of a linear relation between the H ionization fraction and the square of the sound speed of the gas. We show that under these assumptions the "grey" radiative transfer equation has analytic solutions that provide the ionization structure and the density of the nebula as a function of radius.

  15. 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.

  16. 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.

  17. Ionization balance of impurities in turbulent scrape-off layer plasmas I: local ionization-recombination equilibrium

    NASA Astrophysics Data System (ADS)

    Guzman, F.; Marandet, Y.; Tamain, P.; Bufferand, H.; Ciraolo, G.; Ghendrih, Ph; Guirlet, R.; Rosato, J.; Valentinuzzi, M.

    2015-12-01

    In magnetized fusion devices, cross field impurity transport is often dominated by turbulence, in particular in the scrape-off layer. In these outer regions of the plasma, fluctuations of plasma parameters can be comparable to mean values, and the way ionization and recombination sources are treated in transport codes becomes questionnable. In fact, sources are calculated using the mean density and temperature values, with no account of fluctuations. In this work we investigate the modeling uncertainties introduced by this approximation, both qualitatively and quantitatively for the local ionization equilibrium. As a first step transport effects are neglected, and their role will be discussed in a companion paper. We show that temperature fluctuations shift the ionization balance towards lower temperatures, essentially because of the very steep temperature dependence of the ionization rate coefficients near the threshold. To reach this conclusion, a thorough analysis of the time scales involved is carried out, in order to devise a proper way of averaging over fluctuations. The effects are found to be substantial only for fairly large relative fluctuation levels for temperature, that is of the order of a few tens of percents.

  18. Ionization equilibrium of hydrogen in strong magnetic field with allowance for pressure effects

    SciTech Connect

    Bulik, P.; Pavlov, G. ); Potekhin, A.

    1992-01-01

    The ionization equilibrium in highly magnetized (B = 10[sup 10] to 10[sup 12]G) hydrogen is investigated at temperatures from 5 eV to 50 keV and densities in the range 10[sup [minus]3] to 10[sup 3] g/cm[sup 3]. We have used the occupation probability formalism in order to take into account the pressure and density effects. The occupation probabilities used are slightly modified as compared to those derived by Hummer and Mihalas. We find that pressure ionization degree varies with the form of microfield distribution function. The non-ionized fraction is increased by the magnetic field in most of the parameter space. It is large enough so that the bound-free absorption must be taken into account in realistic models of neutron star atmospheres.

  19. [C II] and [N II] from dense ionized regions in the Galaxy

    NASA Astrophysics Data System (ADS)

    Langer, W. D.; Goldsmith, P. F.; Pineda, J. L.

    2016-05-01

    Context. The interstellar medium (ISM) consists of highly ionized and neutral atomic, as well as molecular, components. Knowledge of their distribution is important for tracing the structure and lifecycle of the ISM. Aims: To determine the properties of the highly ionized gas and neutral weakly ionized gas in the Galaxy traced by the fine-structure lines of ionized nitrogen, [N ii], and ionized carbon, [C ii]. Methods: We utilize observations of the [C ii] 158 μm and [N ii] 205 μm fine-structure lines taken with the high spectral resolution Heterodyne Instrument in the Far-Infrared (HIFI) on the Herschel Space Observatory along ten lines of sight towards the inner Galaxy to analyze the ionized ISM. The [N ii] emission can be used to estimate the contribution of the highly ionized gas to the [C ii] emission and separate the contributions from highly ionized and weakly ionized neutral gas. Results: We find that [N ii] has strong emission in distinct spectral features along all lines of sight associated with strong [C ii] emission. The [N ii] arises from moderate density extended H ii regions or ionized boundary layers of clouds. Comparison of the [N ii] and [C ii] spectra in 31 separate kinematic features shows that many of the [C ii] spectra are affected by absorption from low excitation gas associated with molecular clouds, sometimes strongly so. The apparent fraction of the [C ii] associated with the [N ii] gas is unrealistically large in many cases, most likely due to the reduction of [C ii] by absorption. In a few cases the foreground absorption can be modeled to determine the true source intensity. In these sources we find that the foreground absorbing gas layer has C+ column densities of order 1018 cm-2. Conclusions: [C ii] emission arising from strong sources of [N ii] emission is frequently absorbed by low excitation foreground gas complicating the interpretation of the properties of the ionized and neutral gas components that give rise to [C ii] emission.

  20. 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.

  1. 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.

  2. 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.

  3. Equilibrium composition in II?VI telluride MOCVD systems

    NASA Astrophysics Data System (ADS)

    Ben-Dor, L.; Greenberg, J. H.

    1999-03-01

    Thermodynamic calculations, or computer simulation of the equilibrium composition, offer an excellent possibility to reduce drastically the elaborate trial-and-error experimental efforts of finding the optimal preparation conditions for MOCVD processes (temperature T, pressure P, initial composition of the vapors X), to limit them only to the P- T- X field of existence of the solid to be prepared and an acceptable yield of the product. In this communication equilibrium composition was investigated for MOCVD processes of CdTe, ZnTe, HgTe and solid solutions Cd xZn 1- xTe and Hg xCd 1- xTe. A number of volatile organometallic compounds have been used as precursors for MOCVD growth. These are dimethylcadmium (CH 3) 2Cd, DMCd; diethylzinc (C 2H 5) 2Zn, DEZn; diisopropylzinc [CH(CH 3) 2] 2Zn, DiPZn; diethyltellurium (C 2H 5) 2Te, DETe; diisopropyltellurium [CH(CH 3) 2] 2Te, DiPTe; methylallyltellurium CH 3TeCH 2CHCH 2, MATe. A choice of the particular combination of the precursors largely depends on the desired composition of the film to be prepared, especially in cases of solid solutions Cd xZn 1- xTe and Hg xCd 1- xTe where the vapor pressure of the precursors is instrumental for the composition of the vapor in the reaction zone and, ultimately, for the composition x of the solid solution. Equilibrium composition for II-VI telluride MOCVD systems was investigated at temperatures up to 873 K in hydrogen and inert gas atmospheres at pressures up to 1 atm. P- T- X regions of existence were outlined for each of the five materials.

  4. 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.

  5. Non-equilibrium ionization by a periodic electron beam. I. Synthetic coronal spectra and implications for interpretation of observations

    NASA Astrophysics Data System (ADS)

    Dzifčáková, E.; Dudík, J.; Mackovjak, Š.

    2016-05-01

    Context. Coronal heating is currently thought to proceed via the mechanism of nanoflares, small-scale and possibly recurring heating events that release magnetic energy. Aims: We investigate the effects of a periodic high-energy electron beam on the synthetic spectra of coronal Fe ions. Methods: Initially, the coronal plasma is assumed to be Maxwellian with a temperature of 1 MK. The high-energy beam, described by a κ-distribution, is then switched on every period P for the duration of P/ 2. The periods are on the order of several tens of seconds, similar to exposure times or cadences of space-borne spectrometers. Ionization, recombination, and excitation rates for the respective distributions are used to calculate the resulting non-equilibrium ionization state of Fe and the instantaneous and period-averaged synthetic spectra. Results: Under the presence of the periodic electron beam, the plasma is out of ionization equilibrium at all times. The resulting spectra averaged over one period are almost always multithermal if interpreted in terms of ionization equilibrium for either a Maxwellian or a κ-distribution. Exceptions occur, however; the EM-loci curves appear to have a nearly isothermal crossing-point for some values of κs. The instantaneous spectra show fast changes in intensities of some lines, especially those formed outside of the peak of the respective EM(T) distributions if the ionization equilibrium is assumed. Movies 1-5 are available in electronic form at http://www.aanda.org

  6. Equilibrium K-, L-, and M-shell ionizations and charge-state distribution of sulfur projectiles passing through solid targets

    SciTech Connect

    Braziewicz, J.; Majewska, U.; Banas, D.; Polasik, M.; Slabkowska, K.; Koziol, K.; Jaskola, M.; Korman, A.; Kretschmer, W.; Choinski, J.

    2010-08-15

    In the present work, an alternative approach for the evaluation of the equilibrium K-, L-, and M-shell ionizations and the mean charge state q for projectiles passing through various targets has been proposed. The approach is based on measured K x-ray energy shifts and line intensity ratios and utilizes the theoretical analysis of projectile spectra using multiconfiguration Dirac-Fock calculations. It was applied for the satellite and hypersatellite K lines in the x-ray spectra emitted by sulfur projectiles passing with energies of 9.6-122 MeV through carbon, aluminium, titanium, and iron targets, recorded by a Si(Li) detector. It was found that only in the high projectile energy region there was significant dependence of mean equilibrium K-shell ionization on the target atomic number. The equilibrium L-shell ionization rises with the increase of sulfur energy until 32 MeV, but for higher energies the changes are very weak. The equilibrium M-shell ionization changes very weakly for low projectile energy while for higher energies this ionization is practically constant. For each target, the estimated value of q rises with the increase of the sulfur energy value. The dependence of the sulfur charge state on the target atomic number was discussed by taking into account the cross sections for ionization, decay, and electron capture processes. The data were compared with the experimental data measured by other authors and with the predictions of Shima's and Schiwietz and Grande's semiempirical formulas. The presented good agreement points out that this alternative approach delivers quantitative results.

  7. 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.

  8. Soft x-ray spectra and collisional ionization equilibrium of iron ions with data upgrade of electron-ion collisions

    NASA Astrophysics Data System (ADS)

    Liang, G. Y.; Wei, H. G.; Zhao, G.; Zhong, J. Y.

    2016-06-01

    Line emissivities and ionic fraction in (non-)equilibrium are crucial for understanding the x-ray and extreme ultraviolet (EUV) spectra. These emission originate from electron-impact excitations for a level population of highly charged ions in coronal-like plasma. Recently, a large amount of excitation data was generated within the R-matrix framework by the computational atomic physics community, especially the UK APAP network. These data take resonances in electron-ion collisions into account appropriately, which enhances the effective excitation rates and also the line emissivities in x-ray and EUV regions. For ionization equilibrium data, the earlier compilation by Mazzotta et al (1998 Astron. Astrophys. Supp. Ser. 133 403) was used extensively by the astronomical community until the update by Bryans et al (2006 Astrophys. J. Supp. Ser. 167 343), as well as the compilation of Dere (2007 Astron. Astrophys. 466 771) for electron-impact ionization rates. In past years, many experimental measurements have been performed of highly charged iron ions in heavy-ion storage ring facilities. In this work, we will investigate the line emissivities and ionization equilibrium of highly charged iron ions by using recent theoretical or experimental data of electron-impact excitations and ionizations.

  9. Soft x-ray spectra and collisional ionization equilibrium of iron ions with data upgrade of electron–ion collisions

    NASA Astrophysics Data System (ADS)

    Liang, G. Y.; Wei, H. G.; Zhao, G.; Zhong, J. Y.

    2016-06-01

    Line emissivities and ionic fraction in (non-)equilibrium are crucial for understanding the x-ray and extreme ultraviolet (EUV) spectra. These emission originate from electron-impact excitations for a level population of highly charged ions in coronal-like plasma. Recently, a large amount of excitation data was generated within the R-matrix framework by the computational atomic physics community, especially the UK APAP network. These data take resonances in electron–ion collisions into account appropriately, which enhances the effective excitation rates and also the line emissivities in x-ray and EUV regions. For ionization equilibrium data, the earlier compilation by Mazzotta et al (1998 Astron. Astrophys. Supp. Ser. 133 403) was used extensively by the astronomical community until the update by Bryans et al (2006 Astrophys. J. Supp. Ser. 167 343), as well as the compilation of Dere (2007 Astron. Astrophys. 466 771) for electron-impact ionization rates. In past years, many experimental measurements have been performed of highly charged iron ions in heavy-ion storage ring facilities. In this work, we will investigate the line emissivities and ionization equilibrium of highly charged iron ions by using recent theoretical or experimental data of electron-impact excitations and ionizations.

  10. 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…

  11. Instability of Magnetized Ionization Fronts Surrounding H II Regions

    NASA Astrophysics Data System (ADS)

    Kim, Jeong-Gyu; Kim, Woong-Tae

    2014-12-01

    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}_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/(2β1) compared to the unmagnetized case, with β1 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 α1/2. 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}_M22 < 2/(2β 1 - 1). When the front experiences an acceleration, the IF instability cooperates with the Rayleigh-Taylor instability to make the front more unstable.

  12. 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.

  13. Instability of Magnetized Ionization Fronts Surrounding H II Regions

    NASA Astrophysics Data System (ADS)

    Kim, Jeong-Gyu; Kim, Woong-Tae

    2015-01-01

    An ionization front (IF) surrounding an H II region is a sharp interface through which a cold neutral gas makes transition to a warm ionized phase by absorbing UV photons from central massive stars. We investigate the structure and stability of a plane-parallel D-type IF threaded by parallel magnetic fields. We find that weak D-type IFs always have the post-IF magnetosonic Mach number M_{M2} ≤ 1. For such fronts, magnetic fields increase the maximum propagation speed of the IFs, while reducing the expansion factor by a factor of 1+1/(2β_1) compared to the unmagnetized case, with β_1 denoting the plasma beta in the pre-IF region. IFs become unstable to distortional perturbations due 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. 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_{M2}^2 < 2/(β_1 - 1). When the front experiences an acceleration, the IF instability cooperates with the Rayleigh-Taylor instability to make the front more unstable.

  14. Dielectronic recombination rates, ionization equilibrium, and radiative emission rates for Mn ions in low-density high-temperature plasmas

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.; Davis, J.

    1983-01-01

    The analysis of optically-thin far-ultraviolet and X-ray emission lines of multiply-charged ions is one of the basic methods for determining the temperatures and densities of laboratory and astrophysical plasmas. In addition, the energy balance in these plasmas can be significantly influenced by the emission of radiation from relatively low concentrations of multiple-charged atomic ions. Because the populations of the excited levels are expected to depart substantially from their local thermodynamic equilibrium values a detailed treatment of the elementary collisional and radiative processes must be employed in order to predict the emission line intensities. In this investigation the authors present the results of calculations based on a corona equilibrium model in which a detailed evaluation is made of the dielectronic recombination rate coefficients. The ionization and autoionization following inner-shell electron excitation from each ground state are balanced by direct radiative and dielectronic recombination. The spectral line intensities emitted by the low-lying excited states, which are assumed to undergo spontaneous radiative decay in times that are short compared with the collision time, are evaluated in terms of the corona ionization equilibrium distributions of the ground states and their electron-impact excitation states.

  15. 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.

  16. Updated calculations of the ionization equilibrium for the non-Maxwellian electron n-distributions in solar flares

    NASA Astrophysics Data System (ADS)

    Dzifcakova, Elena; Dudík, Jaroslav

    2015-08-01

    Observed flare high intensities of the Si XIId satellite lines in comparison with the Si XIII allowed lines cannot be interpreted under the assumption of a Maxwellian distribution. This behavior of the relative line intensities can be explained by the presence of n-distribution with a higher and narrower shape than the Maxwellian one. This distribution can be formed in flaring plasma in the electric double layers and its presence is associated with type III radio bursts.The latest atomic data to calculate the ionization equilibrium for the non-thermal n-distributions with n ranging from 1 to 19 were used. These calculations involve each of elements with atomic number up to 30. The n-distributions influence both the ionization and recombination rates and make the ion abundance peaks narrower. They can also shift the maxima of the ion abundance peaks in comparison with the Maxwellian distribution and can influence the temperature diagnostics.

  17. 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.

  18. 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.

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

    PubMed

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

    2010-05-10

    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 (56)Fe/(54)Fe approached that expected for equilibrium conditions, assuming an equilibrium Δ(56)Fe(Fe(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

  20. THE DIAGNOSTIC O VI ABSORPTION LINE IN DIFFUSE PLASMAS: COMPARISON OF NON-EQUILIBRIUM IONIZATION STRUCTURE SIMULATIONS TO FUSE DATA

    SciTech Connect

    De Avillez, Miguel A.; Breitschwerdt, Dieter

    2012-12-20

    The nature of the interstellar O VI in the Galactic disk is studied by means of a multi-fluid hydrodynamical approximation, tracing the detailed time-dependent evolution of the ionization structure of the plasma. Our focus is to explore the signature of any non-equilibrium ionization condition present in the interstellar medium using the diagnostic O VI ion. A detailed comparison between the simulations and FUSE data is carried out by taking lines of sight (LOS) measurements through the simulated Galactic disk, covering an extent of 4 kpc from different vantage points. The simulation results bear a striking resemblance with the observations: (1) the N(O VI) distribution with distance and angle fall within the minimum and maximum values of the FUSE data; (2) the column density dispersion with distance is constant for all the LOS, showing a mild decrease at large distances; (3) O VI has a clumpy distribution along the LOS; and (4) the time-averaged midplane density for distances >400 pc has a value of (1.3-1.4) Multiplication-Sign 10{sup -8} cm{sup -3}. The highest concentration of O VI by mass occurs in the thermally stable (10{sup 3.9} K < T {<=} 10{sup 4.2} K; 20%) and unstable (10{sup 4.2} K < T < 10{sup 5} K; 50%) regimes, both well below its peak temperature in collisional ionization equilibrium, with the corresponding volume filling factors oscillating with time between 8%-20% and 4%-5%, respectively. These results may also be relevant for intergalactic metal absorption systems at high redshifts.

  1. Ionization and thermal equilibrium models for O star winds based on time-independent radiation-driven wind theory

    NASA Technical Reports Server (NTRS)

    Drew, J. E.

    1989-01-01

    Ab initio ionization and thermal equilibrium models are calculated for the winds of O stars using the results of steady state radiation-driven wind theory to determine the input parameters. Self-consistent methods are used for the roles of H, He, and the most abundant heavy elements in both the statistical and the thermal equilibrium. The model grid was chosen to encompass all O spectral subtypes and the full range of luminosity classes. Results of earlier modeling of O star winds by Klein and Castor (1978) are reproduced and used to motivate improvements in the treatment of the hydrogen equilibrium. The wind temperature profile is revealed to be sensitive to gross changes in the heavy element abundances, but insensitive to other factors considered such as the mass-loss rate and velocity law. The reduced wind temperatures obtained in observing the luminosity dependence of the Si IV lambda 1397 wind absorption profile are shown to eliminate any prospect of explaining the observed O VI lambda 1036 line profiles in terms of time-independent radiation-driven wind theory.

  2. 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

  3. Investigating the Chemical Evolution of the Universe via Numerical Simulations: Supernova Dust Destruction and Non-Equilibrium Ionization Chemistry

    NASA Astrophysics Data System (ADS)

    Silvia, Devin W.

    2013-12-01

    The chemical evolution of the Universe is a complicated process with countless facets that define its properties over the course of time. In the early Universe, the metal-free first stars were responsible for originally introducing metals into the pristine gas left over from the Big Bang. Once these metals became prevalent, they forever altered the thermodynamics of the Universe. Understanding precisely where these metals originated, where they end up, and the conditions they experience along the way is of great interest in the astrophysical community. In this work, I have used numerical simulations as a means of understanding two separate phenomena related to the chemical evolution the Universe. The first topic focuses on the question as to whether or not core-collapse supernovae in the high-redshift universe are capable of being "dust factories" for the production of galactic dust. To achieve this, I carried out idealized simulations of supernova ejecta clouds being impacted by reverse-shock blast waves. By post-processing the results of these simulations, I was able to estimate the amount of dust destruction that would occur due to thermal sputtering. In the most extreme scenarios, simulated with high relative velocities between the shock and the ejecta cloud and high gas metallicities, I find complete destruction for some grains species and only 44% dust mass survival for even the most robust species. This raises the question as to whether or not high-redshift supernova can produce dust masses in sufficient excess of the ˜1 Msun per event required to match observations of high-z galaxies. The second investigation was driven by the desire to find an answer to the missing baryon problem and a curiosity as to the impact that including a full non-equilibrium treatment of ionization chemistry has on simulations of the intergalactic medium. To address these questions, I have helped to develop Dengo, a new software package for solving complex chemical networks. Once

  4. 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.

  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. 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.

  7. 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.

  8. 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.

  9. 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.

  10. Adsorption of Pb(II) ions onto biomass from Trifolium resupinatum: equilibrium and kinetic studies

    NASA Astrophysics Data System (ADS)

    Athar, Makshoof; Farooq, Umar; Aslam, Muhammad; Salman, M.

    2013-09-01

    The present study provides information about the binding of Pb(II) ions on an eco-friendly and easily available biodegradable biomass Trifolium resupinatum. The powdered biomass was characterized by FTIR, potentiometric titration and surface area analyses. The FTIR spectrum showed the presence of hydroxyl, carbonyl and amino functional groups and Pb(II) ions bound with the oxygen- and nitrogen-containing sites (hydroxyl and amino groups). The acidic groups were also confirmed by titrations. Effects of various environmental parameters (time, pH and concentration) have been studied. The biosorption process achieved equilibrium in a very short period of time (25 min). Non-linear approach for Langmuir and Freundlich models was used to study equilibrium process and root mean-square error was used as an indicator to decide the fitness of the mathematical model. The biosorption process was found to follow pseudo-second-order kinetics and was very fast. Thus, the biomass can be cost-effectively used for the binding of Pb(II) ions from aqueous solutions.

  11. Dielectronic recombination rates, ionization equilibrium, and radiative energy-loss rates for neon, magnesium, and sulfur ions in low-density plasmas. [in solar corona

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.; Davis, J.; Rogerson, J. E.; Blaha, M.

    1979-01-01

    Results of detailed and systematic calculations are presented for the total dielectronic recombination rate coefficients for the ions of Ne, Mg, and S in a low-density predominantly hydrogen plasma. The new recombination rates are used to calculate solar corona ionization-equilibrium distributions of the ions. The most important effect of dielectronic recombination for ions in corona equilibrium is found to be a shift in the maximum-abundance temperatures toward higher temperatures, which are in some cases reduced from those predicted on the basis of the simple Burgess formula.

  12. Determination of the Fe(II)aq-magnetite equilibrium iron isotope fractionation factor using the three-isotope method and a multi-direction approach to equilibrium

    NASA Astrophysics Data System (ADS)

    Frierdich, Andrew J.; Beard, Brian L.; Scherer, Michelle M.; Johnson, Clark M.

    2014-04-01

    Magnetite is ubiquitous in the Earth's crust and its presence in modern marine sediments has been taken as an indicator of biogeochemical Fe cycling. Magnetite is also the most abundant Fe oxide in banded iron formations (BIFs) that have not been subjected to ore-forming alteration. Magnetite is therefore an important target of stable Fe isotope studies, and yet interpretations are currently difficult because of large uncertainties in the equilibrium stable Fe isotope fractionation factors for magnetite relative to fluids and other minerals. In this study, we utilized the three-isotope method (57Fe-56Fe-54Fe) to explore isotopic exchange via an enriched-57Fe tracer, and natural mass-dependent fractionation using 56Fe/54Fe variations, during reaction of aqueous Fe(II) (Fe(II)aq) with magnetite. Importantly, we employed a multi-direction approach to equilibrium by reacting four 57Fe-enriched Fe(II) solutions that had distinct 56Fe/54Fe ratios, which identifies changes in the instantaneous Fe isotope fractionation factor and hence identifies kinetic isotope effects. We find that isotopic exchange can be described by two 56Fe/54Fe fractionations, where an initial rapid exchange (∼66% isotopic mixing within 1 day) involved a relatively small Fe(II)aq-magnetite 56Fe/54Fe fractionation, followed by slower exchange (∼25% isotopic mixing over 50 days) that was associated with a larger Fe(II)aq-magnetite 56Fe/54Fe fractionation; this later fractionation is interpreted to approach isotopic equilibrium between Fe(II)aq and the total magnetite. All four Fe(II) solutions extrapolate to the same final equilibrium 56Fe/54Fe fractionation for Fe(II)aq-magnetite of -1.56±0.20‰ (2σ) at 22 °C. Additional experiments that synthesized magnetite via conversion of ferrihydrite by reaction with aqueous Fe(II) yield final 56Fe/54Fe fractionations that are identical to those of the exchange experiments. Our experimental results agree well with calculated fractionation factors using

  13. 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.

  14. 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).

  15. 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)

  16. ENERGY LEVELS AND SPECTRAL LINES OF SINGLY IONIZED MANGANESE (Mn II)

    SciTech Connect

    Kramida, Alexander; Sansonetti, Jean E.

    2013-04-01

    This compilation revises the previously recommended list of energy levels of singly ionized manganese (Mn II) and provides a comprehensive list of observed spectral lines and transition probabilities in this spectrum. The new level optimization takes into account critically assessed uncertainties of measured wavelengths and includes about a hundred high-precision wavelengths determined by laser spectroscopy and Fourier transform techniques. Uncertainties of 63% of energy levels and 74% of Ritz wavelengths are reduced by a factor of three on average.

  17. 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.

  18. 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. PMID:25953610

  19. Electrospray ionization mass spectral characteristics and fragmentation mechanisms of Angiotensin II and its analogues

    NASA Astrophysics Data System (ADS)

    Li, Huihui; Yuan, Gu

    2006-05-01

    The characteristic fragmentation pathways of Angiotensin II and eight analogues were investigated by electrospray ionization tandem mass spectrometry. The main fragmentations involve the cleavages of the CCO and CONH bonds with the loss of water, ammonia or carbon monoxide and rearrangements involving hydrogen atoms, and the MS/MS spectra give significant sequence information of these octapeptides. In addition, the two members of the analogues with the same mass and different elemental composition can be distinguished by the MS/MS spectra of [M + H]+ and fragment ions. These results show that ESI tandem mass spectrometry is an excellent tool for the structural identification of Angiotensin II and its analogues.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Determination of the equilibrium, kinetic and thermodynamic parameters of adsorption of copper(II) ions onto seeds of Capsicum annuum.

    PubMed

    Ozcan, Adnan; Ozcan, A Safa; Tunali, Sibel; Akar, Tamer; Kiran, Ismail

    2005-09-30

    Adsorption of copper ions onto Capsicum annuum (red pepper) seeds was investigated with the variation in the parameters of pH, contact time, adsorbent and copper(II) concentrations and temperature. The nature of the possible adsorbent and metal ion interactions was examined by the FTIR technique. The copper(II) adsorption equilibrium was attained within 60 min. Adsorption of copper(II) ions onto C. annuum seeds followed by the Langmuir, Freundlich and Dubinin-Radushkevich (D-R) isotherm models. Maximum adsorption capacity (q(max)) of copper(II) ions onto red pepper seeds was 4.47x10(-4) molg(-1) at 50 degrees C. Three kinetic models including the pseudo-first-order, pseudo-second-order and intraparticle diffusion equations were selected to follow the adsorption process. Kinetic parameters such as rate constants, equilibrium adsorption capacities and related correlation coefficients, for each kinetic model were calculated and discussed. It was indicated that the adsorption of copper(II) ions onto C. annuum seeds could be described by the pseudo-second-order kinetic model and also followed the intraparticle diffusion model up to 60 min, but diffusion is not only the rate controlling step. Thermodynamics parameters such as the change of free energy, enthalpy and entropy were also evaluated for the adsorption of copper(II) ions onto C. annuum seeds.

  7. 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…

  8. 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.

  9. 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.

  10. Kinetics, equilibrium, and thermodynamics investigation on the adsorption of lead(II) by coal-based activated carbon.

    PubMed

    Yi, Zhengji; Yao, Jun; Zhu, Mijia; Chen, Huilun; Wang, Fei; Liu, Xing

    2016-01-01

    The goal of this research is to investigate the feasibility of using activated coal-based activated carbon (CBAC) to adsorb Pb(II) from aqueous solutions through batch tests. Effects of contact time, pH, temperature and initial Pb(II) concentration on the Pb(II) adsorption were examined. The Pb(II) adsorption is strongly dependent on pH, but insensitive to temperature. The best pH for Pb(II) removal is in the range of 5.0-5.5 with more than 90 % of Pb(II) removed. The equilibrium time was found to be 60 min and the adsorption data followed the pseudo-second-order kinetics. Isotherm data followed Langmuir isotherm model with a maximum adsorption capacity of 162.33 mg/g. The adsorption was exothermic and spontaneous in nature. The Fourier transform infrared spectroscopy and scanning electron microscopy analysis suggested that CBAC possessed a porous structure and was rich in carboxyl and hydroxyl groups on its surface, which might play a major role in Pb(II) adsorption. These findings indicated that CBAC has great potential as an alternative adsorbent for Pb(II) removal. PMID:27504258

  11. IONIZED GAS KINEMATICS AT HIGH RESOLUTION. II. DISCOVERY OF A DOUBLE INFRARED CLUSTER IN II Zw 40

    SciTech Connect

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

    2013-04-10

    The nearby dwarf galaxy II Zw 40 hosts an intense starburst. At the center of the starburst is a bright compact radio and infrared source, thought to be a giant dense H II region containing Almost-Equal-To 14, 000 O stars. Radio continuum images suggest that the compact source is actually a collection of several smaller emission regions. We accordingly use the kinematics of the ionized gas to probe the structure of the radio-infrared emission region. With TEXES on the NASA-IRTF we measured the 10.5 {mu}m [S IV] emission line with effective spectral resolutions, including thermal broadening, of {approx}25 and {approx}3 km s{sup -1} and spatial resolution {approx}1''. The line profile shows two distinct, spatially coextensive, emission features. The stronger feature is at galactic velocity and has FWHM 47 km s{sup -1}. The second feature is {approx}44 km s{sup -1} redward of the first and has FWHM 32 km s{sup -1}. We argue that these are two giant embedded clusters, and estimate their masses to be Almost-Equal-To 3 Multiplication-Sign 10{sup 5} M{sub Sun} and Almost-Equal-To 1.5 Multiplication-Sign 10{sup 5} M{sub Sun }. The velocity shift is unexpectedly large for such a small spatial offset. We suggest that it may arise in a previously undetected kinematic feature remaining from the violent merger that formed the galaxy.

  12. 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.

  13. Radiation fields of intermediate-age stellar populations with binaries as ionizing sources of H II regions

    NASA Astrophysics Data System (ADS)

    Zhang, F.; Li, L.; Cheng, L.; Wang, L.; Kang, X.; Zhuang, Y.; Han, Z.

    2015-02-01

    Radiation fields emitted by O- and B-type stars or young stellar populations (SPs) are generally considered as significant central ionizing sources (CISs) of classic H II regions. In our previous studies, we showed that the inclusion of binary interactions in stellar population synthesis models can significantly increase the ultraviolet spectrum hardness and the number of ionizing photons of intermediate-age (IA) SPs (7 ≲ log(t/yr) ≲ 8). In this work, we present photoionization models of H II regions ionized by radiation fields emitted by IA SPs, including binary systems, and show that these fields are in theory possible candidates for significant CISs of classic H II regions. When radiation fields of IA SPs comprising binary systems are used as the CISs of classic H II regions, the theoretical strengths of a number of lines (such as [O III] λ4959', [S II] λ6716', etc.), which are weaker than observations, are increased; the border or selection-criterion lines between star-forming galaxies and active galactic nuclei (AGNs) in the diagnostic diagrams (for example, [N II] λ6583/Hα versus [O III] λ5007/Hβ), move into the region occupied originally by AGNs; and the He II λ1640 line, observed in Lyman break and high-redshift gravitationally lensed galaxies, also can be produced.

  14. [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

  15. 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

  16. 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.

  17. H II Region Ionization of the Interstellar Medium: A Case Study of NGC 7538

    NASA Astrophysics Data System (ADS)

    Luisi, Matteo; Anderson, L. D.; Balser, Dana S.; Bania, T. M.; Wenger, Trey V.

    2016-06-01

    Using data from the Green Bank Telescope, we analyze the radio continuum (free–free) and radio recombination line (RRL) emission of the compact H ii region NGC 7538 (Sharpless 158). We detect extended radio continuum and hydrogen RRL emission beyond the photodissociation region (PDR) toward the north and east, but a sharp decrease in emission toward the south and west. This indicates that a non-uniform PDR morphology is affecting the amount of radiation “leaking” through the PDR. The strongest carbon RRL emission is found in the western PDR that appears to be dense. We compute a leaking fraction f R = 15 ± 5% of the radio continuum emission measured in the plane of the sky which represents a lower limit when accounting for the three-dimensional geometry of the region. We detect an average {}4{{{He}}}+/{{{H}}}+ abundance ratio by number of 0.088 ± 0.003 inside the H ii region and a decrease in this ratio with increasing distance from the region beyond the PDR. Using Herschel Space Observatory data, we show that small dust temperature enhancements to the north and east of NGC 7538 coincide with extended radio emission, but that the dust temperature enhancements are mostly contained within a second PDR to the east. Unlike the giant H ii region W43, the radiation leaking from NGC 7538 seems to only affect the local ambient medium. This suggests that giant H ii regions may have a large effect in maintaining the ionization of the interstellar medium.

  18. 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.

  19. 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.

  20. Equilibrium analysis of aggregation behavior in the solvent extraction of Cu(II) from sulfuric acid by didodecylnaphthalene sulfonic acid

    SciTech Connect

    Moyer, B.A.; Baes, C.F. Jr.; Case, G.N.; Lumetta, G.J.; Wilson, N.M.

    1993-01-01

    By use of the principles of equilibrium analysis, the liquid-liquid cation exchange of Cu(II) from aqueous sulfuric acid at 25{degrees}C by didodecylnaphthalenesulfonic acid (HDDNS) in toluene may be understood in terms of small hydrated aggregated species in the organic phase. Extraction data were measured as a function of organic-phase HDDNS molarity (1.0 {times} 10{sup {minus}4} to 1.0 {times} 10{sup {minus}1}), aqueous copper(II) sulfate molarity (1.2 {times} 10{sup {minus}8} to 1.3 {times} 10{sup {minus}2}), and aqueous sulfuric acid molarity (0.03 to 6.0). Graphical analysis of linear regions of the data support a model in which organic-phase aggregates of HDDNS function by cation exchange to incorporate Cu(II) ions with no apparent change in aggregation number at low loading. Supporting FTIR spectra and water-content measurements of HDDNS solutions in toluene show that the HDDNS aggregates are highly hydrated. By use of the computer program SXLSQA, a comprehensive equilibrium model was developed with inclusion of activity effects. Aqueous-phase activity coefficients and degree of aqueous bisulfate formation were estimated by use of the Pitzer treatment. Organic-phase nonideality was estimated by the Hildebrand-Scott treatment and was shown to be a negligible effect under the conditions tested. Excluding aqueous sulfuric acid molarities greater than 1, it was possible to model the data to within experimental error by assuming only the equilibrium extraction of Cu{sup 2+} ion by the aggregate (HDDNS){sub 4}(H{sub 2}O){sub 22} and the equilibrium dissociation of (HDDNS){sub 4}(H{sub 2}O){sub 22} to the monomer. The dependence of Cu(II) distribution on aqueous sulfuric acid molarity was shown to be quantitatively consistent with a cation-exchange process. In comparison with the graphical approach, the computer analysis allows comprehensive model testing over large, nonlinear data sets and eliminates the need to make limiting assumptions.

  1. Biosorptive removal of mercury(II) from aqueous solution using lichen (Xanthoparmelia conspersa) biomass: kinetic and equilibrium studies.

    PubMed

    Tuzen, Mustafa; Sari, Ahmet; Mendil, Durali; Soylak, Mustafa

    2009-09-30

    The potential use of the lichen biomass (Xanthoparmelia conspersa) to remove mercury(II) ions from aqueous solution by biosorption was evaluated using the batch method. Effects of pH, contact time, biomass concentration and temperature on the removal of Hg(II) ions were studied. The Langmuir isotherm models defined the equilibrium data precisely compared to Freundlich model and the maximum biosorption capacity obtained was 82.8 mg g(-1). From the D-R isotherm model, the mean free energy was calculated as 9.5 kJ mol(-1). It shows that the biosorption of Hg(II) ions onto X. conspersa biomass was taken place by chemical ion-exchange. Experimental data were also performed to the pseudo-first-order and pseudo-second-order kinetic models. The results indicated that the biosorption of Hg(II) on the lichen biomass followed well the second-order kinetics. Thermodynamic parameters, DeltaG(o), DeltaH(o) and DeltaS(o) indicated the Hg(II) sorption to be exothermic and spontaneous with decreased randomness at the solid-solution interface. Furthermore, the lichen biomass could be regenerated using 1M HCl, with up to 85% recovery, which allowed the reuse of the biomass in ten biosorption-desorption cycles without any considerable loss of biosorptive removal capacity.

  2. 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

  3. Equilibrium studies of sorption of lead(II) ions by different pectin compounds.

    PubMed

    Khotimchenko, Maxim; Kovalev, Valeri; Khotimchenko, Yuri

    2007-11-19

    The adsorption of Pb(II) ions from aqueous solution by different pectin compounds was studied in a batch sorption system. Water-soluble low- and high-esterified pectins and insoluble calcium pectate beads were investigated. The lead-binding capacity of all pectin compounds was highest within the pH range from 7 to 8. The binding capacities and rates of Pb(II) ions by pectin compounds were evaluated. The Langmuir, Freundlich and BET sorption models were applied to describe the isotherms and isotherm constants. Sorption isothermal data could be well interpreted by the Langmuir model. These results obtained through the study suggest that pectin compounds are favorable sorbers. The largest amount of Pb(II) ions were bound by pectin with the low degree of esterfication. Therefore, pectin substances may be considered as perspective for sorption and removal of Pb(II) ions from wastewaters.

  4. 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.

  5. The Ionized Gas in Nearby Galaxies as Traced by the [N II] 122 and 205 μm Transitions

    NASA Astrophysics Data System (ADS)

    Herrera-Camus, R.; Bolatto, A.; Smith, J. D.; Draine, B.; Pellegrini, E.; Wolfire, M.; Croxall, K.; de Looze, I.; Calzetti, D.; Kennicutt, R.; Crocker, A.; Armus, L.; van der Werf, P.; Sandstrom, K.; Galametz, M.; Brandl, B.; Groves, B.; Rigopoulou, D.; Walter, F.; Leroy, A.; Boquien, M.; Tabatabaei, F. S.; Beirao, P.

    2016-08-01

    The [N ii] 122 and 205 μm transitions are powerful tracers of the ionized gas in the interstellar medium. By combining data from 21 galaxies selected from the Herschel KINGFISH and Beyond the Peak surveys, we have compiled 141 spatially resolved regions with a typical size of ˜1 kpc, with observations of both [N ii] far-infrared lines. We measure [N ii] 122/205 line ratios in the ˜0.6-6 range, which corresponds to electron gas densities of n e ˜ 1-300 cm-3, with a median value of n e = 30 cm-3. Variations in the electron density within individual galaxies can be as high as a factor of ˜50, frequently with strong radial gradients. We find that n e increases as a function of infrared color, dust-weighted mean starlight intensity, and star-formation rate (SFR) surface density (ΣSFR). As the intensity of the [N ii] transitions is related to the ionizing photon flux, we investigate their reliability as tracers of the SFR. We derive relations between the [N ii] emission and SFR in the low-density limit and in the case of a log-normal distribution of densities. The scatter in the correlation between [N ii] surface brightness and ΣSFR can be understood as a property of the n e distribution. For regions with n e close to or higher than the [N ii] line critical densities, the low-density limit [N ii]-based SFR calibration systematically underestimates the SFR because the [N ii] emission is collisionally quenched. Finally, we investigate the relation between [N ii] emission, SFR, and n e by comparing our observations to predictions from the MAPPINGS-III code.

  6. The Ionized Gas in Nearby Galaxies as Traced by the [N II] 122 and 205 μm Transitions

    NASA Astrophysics Data System (ADS)

    Herrera-Camus, R.; Bolatto, A.; Smith, J. D.; Draine, B.; Pellegrini, E.; Wolfire, M.; Croxall, K.; de Looze, I.; Calzetti, D.; Kennicutt, R.; Crocker, A.; Armus, L.; van der Werf, P.; Sandstrom, K.; Galametz, M.; Brandl, B.; Groves, B.; Rigopoulou, D.; Walter, F.; Leroy, A.; Boquien, M.; Tabatabaei, F. S.; Beirao, P.

    2016-08-01

    The [N ii] 122 and 205 μm transitions are powerful tracers of the ionized gas in the interstellar medium. By combining data from 21 galaxies selected from the Herschel KINGFISH and Beyond the Peak surveys, we have compiled 141 spatially resolved regions with a typical size of ˜1 kpc, with observations of both [N ii] far-infrared lines. We measure [N ii] 122/205 line ratios in the ˜0.6–6 range, which corresponds to electron gas densities of n e ˜ 1–300 cm‑3, with a median value of n e = 30 cm‑3. Variations in the electron density within individual galaxies can be as high as a factor of ˜50, frequently with strong radial gradients. We find that n e increases as a function of infrared color, dust-weighted mean starlight intensity, and star-formation rate (SFR) surface density (ΣSFR). As the intensity of the [N ii] transitions is related to the ionizing photon flux, we investigate their reliability as tracers of the SFR. We derive relations between the [N ii] emission and SFR in the low-density limit and in the case of a log-normal distribution of densities. The scatter in the correlation between [N ii] surface brightness and ΣSFR can be understood as a property of the n e distribution. For regions with n e close to or higher than the [N ii] line critical densities, the low-density limit [N ii]-based SFR calibration systematically underestimates the SFR because the [N ii] emission is collisionally quenched. Finally, we investigate the relation between [N ii] emission, SFR, and n e by comparing our observations to predictions from the MAPPINGS-III code.

  7. Hopf bifurcations in coronal loops. I. Stability conditions for static equilibrium. II. Nonlinear evolution of instabilities

    SciTech Connect

    Gomez, D.; Sicardi Schifino, A.; Ferro Fontan, C. Buenos Aires Universidad )

    1990-03-01

    Starting from the hydrodynamic equations, the present study of the coupling between the hot plasma confined in a coronal loop and the much colder chromospheric plasma at the footprints proceeds to derive a model which generalizes the analysis of Kuin and Marterns (1982) and consistently takes into account the condensation-evaporation process. The linearization of the equations is shown to determine the bifurcation point at which the static equilibrium's stability is lost. In the second part of this work, the nonlinear evolution of these equations is studied both analytically and numerically. The application of a perturbative technique around the critical point indicates the occurrence of a subcritical Hopf bifurcation. 63 refs.

  8. 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

  9. Magnetohydrostatic Equilibrium. II. Three-dimensional Multiple Open Magnetic Flux Tubes in the Stratified Solar Atmosphere

    NASA Astrophysics Data System (ADS)

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

    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.

  10. 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.

  11. 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

  12. Equilibrium and thermodynamic studies of Cd (II) biosorption by chemically modified orange peel.

    PubMed

    Kumar, Arbind; Kumar, Vipin

    2016-03-01

    Agricultural wastes have great potential of removing heavy metal ions from aqueous solution. Removal of Cd (II) from aqueous solutions onto chemically modified orange peel was studied at different pH, contact time, initial metal concentrations, adsorbent doses and temperature. Batch experiments were carried out under optimized conditions to evaluate the adsorption capacity of orange peel chemically modified with NaOH. The results showed that maximum adsorption capacity of modified orange peel, approximately 97.0%, was observed 3 mg 1⁻¹ of initial Cd(II) concentration pH 6 for 4 g 1⁻¹ adsorbent dosage, 200 min contact time and 298 K temperature. Adsorption efficiency of modified orange peel decreased with increase in temperature indicated exothermic nature of adsorption. A negative value of ΔG⁰(-8.59 kJ mol⁻¹) confirmed the feasibility of adsorption process and spontaneous nature of adsorption. A negative value of ΔH⁰ (-28.08 kJ mol⁻¹) indicated exothermic nature while a negative ΔS⁰ (-66.86 J K⁻¹ mol⁻¹) value suggested decrease in degree of freedom of the adsorbed species. The results showed that biosorption process of Cd(II) ions by chemically modified orange peel is feasible, spontaneous and exothermic under studied conditions. Chemically by modified orange peel investigated in the present study showed good potential for the removal of cadmium from aqueous solutions. PMID:27097438

  13. Non-Maxwellian velocity distribution functions associated with steep temperature gradients in the solar transition region. Paper 2: The effect of non-Maxwellian electron distribution functions on ionization equilibrium calculations for carbon, nitrogen and oxygen

    NASA Technical Reports Server (NTRS)

    Roussel-Dupre, R.

    1979-01-01

    Non-Maxwellian electron velocity distribution functions, previously computed for Dupree's model of the solar transition region are used to calculate ionization rates for ions of carbon, nitrogen, and oxygen. Ionization equilibrium populations for these ions are then computed and compared with similar calculations assuming Maxwellian distribution functions for the electrons. The results show that the ion populations change (compared to the values computed with a Maxwellian) in some cases by several orders of magnitude depending on the ion and its temperature of formation.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Additions to the Spectrum and Energy Levels and a Critical Compilation of Singly-Ionized Boron, B II

    NASA Astrophysics Data System (ADS)

    Ryabtsev, A. N.; Kink, I.; Awaya, Y.; Ekberg, J. O.; Mannervik, S.; Ölme, A.; Martinson, I.

    2005-01-01

    We have undertaken a number of experimental studies of the structure of singly ionized boron, B II. Much of this work was initially motivated by a search for the "missing" 2s3s 1S term. There was a surprising disagreement between theory and experiment for this level. In this context lots of data for B II were collected over the years, from beam-foil experiments, high-resolution spark spectroscopy and theoretical calculations. The new material, which includes more than 80 newly classified (or revised) spectral lines, has now been thoroughly analyzed. This was followed by a critical compilation of all known levels and lines of B II, along with the theoretical interpretation of the levels, classifications of the lines and calculated transition probabilities for most lines.

  19. 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.

  20. R-matrix Floquet theory of molecular multiphoton processes: II. Multiphoton ionization of H2

    NASA Astrophysics Data System (ADS)

    Colgan, J.; Glass, D. H.; Higgins, K.; Burke, P. G.

    2001-06-01

    Multiphoton ionization rates for H2 immersed in an intense linearly polarized laser field are calculated using the recently developed R-matrix Floquet theory of molecular multiphoton processes. We assume that the H2 molecule is aligned along the laser polarization direction and we adopt the fixed-nuclei approximation, in which the motion of the target electrons is calculated in the laser field and in the field of the nuclei, which are assumed to be fixed in space. An accurate multi-state wavefunction is employed to calculate one-, two- and four-photon ionization rates for H2 at several internuclear separations over a range of frequencies and intensities. Analysis of the ionization rates reveals the important role played both by resonances corresponding to Rydberg bound states converging to the H2+ ion ground state and by doubly excited states converging to the H2+ ion first excited state. These resonances give rise to resonant enhanced multiphoton ionization peaks in many of the ionization rates studied in this paper, and their possible role in controlling the vibrational population of the final H2+ ion is discussed.

  1. Effect of temperature on the chromatographic retention of ionizable compounds. II. Acetonitrile-water mobile phases.

    PubMed

    Gagliardi, Leonardo G; Castells, Cecilia B; Ràfols, Clara; Rosés, Martí; Bosch, Elisabeth

    2005-06-10

    The retentive behavior of weak acids and bases in reversed-phase liquid chromatography (RPLC) upon changes in column temperature has been theoretically and experimentally studied. The study focuses on examining the temperature dependence of the retention of various solutes at eluent pH close to their corresponding pKa values, and on the indirect role exerted by the buffer ionization equilibria on retention and selectivity. Retention factors of several ionizable compounds in a typical octadecylsilica column and using buffer solutions dissolved in 30% (v/v) acetonitrile as eluent at five temperatures in the range from 25 to 50 degrees C were carefully measured. Six buffer solutions were prepared from judiciously chosen conjugated pairs of different chemical nature. Their pKa values in this acetonitrile-water composition and within the range of 15-50 degrees C were determined potentiometrically. These compounds exhibit very different standard ionization enthalpies within this temperature range. Thus, whenever they are used to control mobile phase pH, the column temperature determines their final pH. Predictive equations of retention that take into account the temperature effect on both the transfer and the ionization processes are evaluated. This study demonstrates the significant role that the selected buffer would have on retention and selectivity in RPLC at temperatures higher than 25 degrees C, particularly for solutes that coelute. PMID:16001552

  2. Effect of temperature on the chromatographic retention of ionizable compounds. II. Acetonitrile-water mobile phases.

    PubMed

    Gagliardi, Leonardo G; Castells, Cecilia B; Ràfols, Clara; Rosés, Martí; Bosch, Elisabeth

    2005-06-10

    The retentive behavior of weak acids and bases in reversed-phase liquid chromatography (RPLC) upon changes in column temperature has been theoretically and experimentally studied. The study focuses on examining the temperature dependence of the retention of various solutes at eluent pH close to their corresponding pKa values, and on the indirect role exerted by the buffer ionization equilibria on retention and selectivity. Retention factors of several ionizable compounds in a typical octadecylsilica column and using buffer solutions dissolved in 30% (v/v) acetonitrile as eluent at five temperatures in the range from 25 to 50 degrees C were carefully measured. Six buffer solutions were prepared from judiciously chosen conjugated pairs of different chemical nature. Their pKa values in this acetonitrile-water composition and within the range of 15-50 degrees C were determined potentiometrically. These compounds exhibit very different standard ionization enthalpies within this temperature range. Thus, whenever they are used to control mobile phase pH, the column temperature determines their final pH. Predictive equations of retention that take into account the temperature effect on both the transfer and the ionization processes are evaluated. This study demonstrates the significant role that the selected buffer would have on retention and selectivity in RPLC at temperatures higher than 25 degrees C, particularly for solutes that coelute.

  3. Dwarf Galaxies with Ionizing Radiation Feedback. II. Spatially Resolved Star Formation Relation

    NASA Astrophysics Data System (ADS)

    Kim, Ji-hoon; Krumholz, Mark R.; Wise, John H.; Turk, Matthew J.; Goldbaum, Nathan J.; Abel, Tom

    2013-12-01

    We investigate the spatially resolved star formation relation using a galactic disk formed in a comprehensive high-resolution (3.8 pc) simulation. Our new implementation of stellar feedback includes ionizing radiation as well as supernova explosions, and we handle ionizing radiation by solving the radiative transfer equation rather than by a subgrid model. Photoheating by stellar radiation stabilizes gas against Jeans fragmentation, reducing the star formation rate (SFR). Because we have self-consistently calculated the location of ionized gas, we are able to make simulated, spatially resolved observations of star formation tracers, such as Hα emission. We can also observe how stellar feedback manifests itself in the correlation between ionized and molecular gas. Applying our techniques to the disk in a galactic halo of 2.3 × 1011 M ⊙, we find that the correlation between SFR density (estimated from mock Hα emission) and H2 density shows large scatter, especially at high resolutions of lsim75 pc that are comparable to the size of giant molecular clouds (GMCs). This is because an aperture of GMC size captures only particular stages of GMC evolution and because Hα traces hot gas around star-forming regions and is displaced from the H2 peaks themselves. By examining the evolving environment around star clusters, we speculate that the breakdown of the traditional star formation laws of the Kennicutt-Schmidt type at small scales is further aided by a combination of stars drifting from their birthplaces and molecular clouds being dispersed via stellar feedback.

  4. Dynamics of Coronal Rain and Descending Plasma Blobs in Solar Prominences. II. Partially Ionized Case

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    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-1 and of the order of 10-30 km s-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-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.

  5. 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.

  6. The use of native and protonated grapefruit biomass (Citrus paradisi L.) for cadmium(II) biosorption: equilibrium and kinetic modelling.

    PubMed

    Bayo, Javier; Esteban, Ginés; Castillo, Julián

    2012-01-01

    This paper describes the use of native and protonated grapefruit biomass, a by-product of the food industry, as an effective and low-cost biosorbent for cadmium removal from aqueous solutions. The biomass composition was analysed by high-performance liquid chromatography, scanning electron microscopy coupled with energy-dispersive X-ray analysis and Fourier transform infrared spectroscopy, showing that hydroxyl and carboxylic groups were the main functional groups implicated in Cd(II) biosorption. The effect of different parameters affecting the biosorption process were studied. The optimum removal of cadmium ions was at pH 4.5. Elution of alkaline-earth ions proved to be related with cadmium uptake, aiming for an ion-exchange mechanism. Protonated biomass showed higher adsorption affinity, binding strength and irreversibility for cadmium than native grapefruit, although the optimum metal uptake and high reaction rate was for the native form of grapefruit. Biosorption experimental data fitted Freundlich > Langmuir > Temkin equilibrium adsorption models. Data for both types of biomass were better fitted by a pseudo-second-order kinetic model, with an excellent correlation between calculated and experimental values. Because of these experimental results, and taking into account that both types of biomass displayed an exothermic and spontaneous physical adsorption process, native grapefruit can be proposed in further experiments as a cheap, effective, low-cost and environmentally friendly natural sorbent for the removal of cadmium from industrial wastewater effluents, avoiding chemical pretreatment before its use. PMID:22720399

  7. Iron isotope fractionation between aqueous Fe(II) and goethite revisited: New insights based on a multi-direction approach to equilibrium and isotopic exchange rate modification

    NASA Astrophysics Data System (ADS)

    Frierdich, Andrew J.; Beard, Brian L.; Reddy, Thiruchelvi R.; Scherer, Michelle M.; Johnson, Clark M.

    2014-08-01

    The Fe isotope compositions of naturally occurring Fe oxide minerals provide insights into biogeochemical processes that occur in modern and ancient environments. Key to understanding isotopic variations in such minerals is knowledge of the equilibrium Fe isotope fractionation factors between common minerals and aqueous Fe species. Because experimental measurements of isotopic fractionation may reflect a combination of kinetic and equilibrium fractionations during rapid dissolution and precipitation, even in experiments that employ the three-isotope method, assessment of the attainment of equilibrium is often difficult. Here, we re-examine Fe isotope exchange, via a 57Fe tracer, and natural mass-dependent fractionation, through changes in initial 56Fe/54Fe ratios, between aqueous Fe(II) (Fe(II)aq) and goethite. This approach uses the three-isotope method, but is distinct in its evaluation of kinetic isotope fractionation and the attainment of equilibrium by: (i) employing a multi-direction approach to equilibrium at 22 °C via reaction of three Fe(II)aq solutions that had different initial 56Fe/54Fe ratios, (ii) conducting isotopic exchange experiments at elevated temperature (50 °C), and (iii) modifying the rate of isotopic exchange through a combination of trace-element substitutions and particle coarsening to evaluate corresponding temporal changes in fractionation trajectories that may reflect changing instantaneous fractionation factors. We find that rapid isotopic exchange produces kinetic isotope effects between Fe(II)aq and goethite, which shifts the 56Fe/54Fe ratios of Fe(II)aq early in reactions toward that of goethite, indicating that the instantaneous Fe(II)aq-goethite fractionation factor under kinetic conditions is small. Importantly, however, this kinetic fractionation is “erased” with continued reaction, and this is evident by the congruence for multiple-exchange trajectories of distinct initial Fe(II)aq solutions toward the same final value

  8. [Spatial structure of cro-repressor in a solution. II. Effect of ionized groups].

    PubMed

    Kurochkin, A V; Kirpichnikov, M P

    1986-01-01

    The technique of 1H NMR spectroscopy and absorption UV spectroscopy were used to study the ionization of the tyrosine phenol cycles and the effect of ionizable groups on the chemical shifts of signals from protons in the side chains of several amino acid residues. The microenvironment of these residues was established by analysing the titration curves. The mutual orientation of two functionally important adjacent alpha-helical protein regions was determined in solution. The signals from methionine residues belonging to different regions of the secondary structure were assigned in the NMR spectrum. The results indicate that the spatial structure of the repressor is similar in solution an in the crystal. They confirm the model proposed for the cro repressor interaction with DNA and based on the data of X-ray diffraction analysis.

  9. 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.

  10. 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.

  11. Evidence for Fluorescent Fe II Emission from Extended Low Ionization Outflows in Obscured Quasars

    NASA Astrophysics Data System (ADS)

    Wang, Tinggui; Ferland, Gary J.; Yang, Chenwei; Wang, Huiyuan; Zhang, Shaohua

    2016-06-01

    Recent studies have shown that outflows in at least some broad absorption line (BAL) quasars are extended well beyond the putative dusty torus. Such outflows should be detectable in obscured quasars. We present four WISE selected infrared red quasars with very strong and peculiar ultraviolet Fe ii emission lines: strong UV Fe ii UV arising from transitions to ground/low excitation levels, and very weak Fe ii at wavelengths longer than 2800 Å. The spectra of these quasars display strong resonant emission lines, such as C iv, Al iii and Mg ii but sometimes, a lack of non-resonant lines such as C iii], S iii and He ii. We interpret the Fe ii lines as resonantly scattered light from the extended outflows that are viewed nearly edge-on, so that the accretion disk and broad line region are obscured by the dusty torus, while the extended outflows are not. We show that dust free gas exposed to strong radiation longward of 912 Å produces Fe ii emission very similar to that observed. The gas is too cool to collisionally excite Fe ii lines, accounting for the lack of optical emission. The spectral energy distribution from the UV to the mid-infrared can be modeled as emission from a clumpy dusty torus, with UV emission being reflected/scattered light either by the dusty torus or the outflow. Within this scenario, we estimate a minimum covering factor of the outflows from a few to 20% for the Fe ii scattering region, suggesting that Fe ii BAL quasars are at a special stage of quasar evolution.

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

    DOE PAGESBeta

    Khazov, Daniel; Yaron, O.; Gal-Yam, A.; Manulis, I.; Rubin, A.; Kulkarni, S. R.; Arcavi, I.; Kasliwal, M. M.; Ofek, E. O.; Cao, Y.; et al

    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

  13. 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.

  14. Spectral shape of the UV ionizing background and He II absorption at redshifts 1.8 < z < 2.9

    NASA Astrophysics Data System (ADS)

    Agafonova, I. I.; Levshakov, S. A.; Reimers, D.; Fechner, C.; Tytler, D.; Simcoe, R. A.; Songaila, A.

    2007-01-01

    Aims:The shape of the UV ionizing background is reconstructed from optically thin metal absorption-line systems identified in spectra of HE 2347-4342, Q 1157+3143, and HS 1700+6416 in the redshift interval 1.8 < z < 2.9. Methods: The systems are analyzed by means of the Monte Carlo Inversion method completed with the spectral shape recovering procedure. Results: The UVB spectral shape fluctuates at 2.4 < z < 2.9 mostly due to radiative transfer processes in the clumpy IGM. At z ⪉ 1.8, the IGM becomes almost transparent both in the H I and He II Lyman continua and the variability of the spectral shape comes from diversity of spectral indices describing the QSO/AGN intrinsic radiation. At z > 2.4, the recovered spectral shapes show intensity depression between 3 and 4 Ryd due to He II Lyα absorption in the IGM clouds (line blanketing) and continuous medium (true Gunn-Petersen effect). The mean He II Lyα opacity estimated from the depth of this depression corresponds within 1-2σ to the values directly measured from the H I/He II Lyα forest towards the quasars studied. The observed scatter in η = N(He II)/N(H I) and anti-correlation between N(H I) and η can be explained by the combined action of variable spectral softness and differences in the mean gas density between the absorbing clouds. Neither of the recovered spectral shapes show features which can be attributed to the putative input of radiation from soft sources like starburst galaxies.

  15. Three-dimensional modeling of ionized gas. II. Spectral energy distributions of massive and very massive stars in stationary and time-dependent modeling of the ionization of metals in H II regions

    NASA Astrophysics Data System (ADS)

    Weber, J. A.; Pauldrach, A. W. A.; Hoffmann, T. L.

    2015-11-01

    Context. H II regions play a crucial role in the measurement of the chemical composition of the interstellar medium and provide fundamental data about element abundances that constrain models of galactic chemical evolution. Discrepancies that still exist between observed emission line strengths and those predicted by nebular models can be partly attributed to the spectral energy distributions (SEDs) of the sources of ionizing radiation used in the models as well as to simplifying assumptions made in nebular modeling. Aims: One of the main influences on the nebular spectra is the metallicity, both nebular and stellar, which shows large variations even among nearby galaxies. Although nebular modeling often involves testing of different nebular metallicities against their influence on the predicted spectra, adequate grids of stellar atmospheres and realistic SEDs for different metallicities are still lacking. This is unfortunate because the influence of stellar metallicity on nebular line strength ratios, via its effect on the SEDs, is of similar importance as variations in the nebular metallicity. To overcome this deficiency we have computed a grid of model atmosphere SEDs for massive and very massive O-type stars covering a range of metallicities from significantly subsolar (0.1 Z⊙) to supersolar (2 Z⊙). Methods: The SEDs have been computed using a state-of-the-art model atmosphere code that takes into account the attenuation of the ionizing flux by the spectral lines of all important elements and the hydrodynamics of the radiatively driven winds and their influence on the SEDs. For the assessment of the SEDs in nebular simulations we have developed a (heretofore not available) 3D radiative transfer code that includes a time-dependent treatment of the metal ionization. Results: Using the SEDs in both 1D and 3D nebular models we explore the relative influence of stellar metallicity, gas metallicity, and inhomogeneity of the gas on the nebular ionization structure

  16. Screening derivatized peptide libraries for tight binding inhibitors to carbonic anhydrase II by electrospray ionization-mass spectrometry.

    PubMed

    Gao, J; Cheng, X; Chen, R; Sigal, G B; Bruce, J E; Schwartz, B L; Hofstadler, S A; Anderson, G A; Smith, R D; Whitesides, G M

    1996-05-10

    This paper describes the use of electrospray ionization-mass spectrometry (ESI-MS) to screen two libraries of soluble compounds to search for tight binding inhibitors for carbonic anhydrase II (EC 4.2.1.1). The two libraries, H2NO2SC6H4C(O)NH-AA1-AA2-C(O)NHCH2CH2CO2H where AA1 and AA2 are L-amino acids (library size: 289 compounds) or D-amino acids (256 compounds), were constructed by attaching tripeptides to the carboxyl group of 4-carboxybenzenesulfonamide. Screening of both libraries yielded, as the tightest binding inhibitor, compound 1 (AA1 = AA2 = L-Leu; binding constant Kb = 1.4 x 10(8) M-1). The ability of ESI-MS to estimate simultaneously the relative binding affinities of a protein to soluble ligands in a library, if general, should be useful in drug development. PMID:8642553

  17. Ionizing shocks in argon. Part II: Transient and multi-dimensional effects

    SciTech Connect

    Kapper, M. G.; Cambier, J.-L.

    2011-06-01

    We extend the computations of ionizing shocks in argon to the unsteady and multi-dimensional, using a collisional-radiative model and a single-fluid, two-temperature formulation of the conservation equations. It is shown that the fluctuations of the shock structure observed in shock-tube experiments can be reproduced by the numerical simulations and explained on the basis of the coupling of the nonlinear kinetics of the collisional-radiative model with wave propagation within the induction zone. The mechanism is analogous to instabilities of detonation waves and also produces a cellular structure commonly observed in gaseous detonations. We suggest that detailed simulations of such unsteady phenomena can yield further information for the validation of nonequilibrium kinetics.

  18. 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.

  19. 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.

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

    NASA Astrophysics Data System (ADS)

    Wu, Wei; Wang, Jin

    2014-09-01

    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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. Equilibrium 2H/ 1H fractionations in organic molecules. II: Linear alkanes, alkenes, ketones, carboxylic acids, esters, alcohols and ethers

    NASA Astrophysics Data System (ADS)

    Wang, Ying; Sessions, Alex L.; Nielsen, Robert J.; Goddard, William A., III

    2009-12-01

    Equilibrium 2H/ 1H fractionation factors (α eq) for various H positions in alkanes, alkenes, ketones, carboxylic acids, esters, alcohols, and ethers were calculated between 0 and 100 °C using vibrational frequencies from ab initio QM calculations (B3LYP/6-311G**). Results were then corrected using a temperature-dependent linear calibration curve based on experimental data for H α in ketones ( Wang et al., 2009). The total uncertainty in reported α eq values is estimated at 10-20‰. The effects of functional groups were found to increase the value of α eq for H next to electron-donating groups, e.g. sbnd OR, sbnd OH or sbnd O(C dbnd O)R, and to decrease the value of α eq for H next to electron-withdrawing groups, e.g. sbnd (C dbnd O)R or sbnd (C dbnd O)OR. Smaller but significant functional group effects are also observed for H β and sometimes H γ. By summing over individual H positions, we estimate the equilibrium fractionation relative to water to be -90‰ to -70‰ for n-alkanes and around -100‰ for pristane and phytane. The temperature dependence of these fractionations is very weak between 0 and 100 °C. Our estimates of α eq agree well with field data for thermally mature hydrocarbons (δ 2H values between -80‰ and -110‰ relative to water). Therefore the observed δ 2H increase of individual hydrocarbons and the disappearance of the biosynthetic δ 2H offset between n-alkyl and linear isoprenoid lipids during maturation of organic matter can be confidently attributed to H exchange towards an equilibrium state. Our results also indicate that many n-alkyl lipids are biosynthesized with δ 2H values that are close to equilibrium with water. In these cases, constant down-core δ 2H values for n-alkyl lipids cannot be reliably used to infer a lack of isotopic exchange.

  13. 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

  14. Bond-equilibrium theory of liquid Se-Te alloys. II. Effect of singly attached ring molecules

    NASA Astrophysics Data System (ADS)

    Cutler, Melvin; Bez, Wolfgang G.

    1981-06-01

    A statistical-mechanical theory for bond equilibrium of chain polymers containing threefold (3F) and onefold (1F) bond defects is extended to include the effects of free ring molecules and ring molecules attached to chains by a single 3F atom. Positively charged singly attached rings are shown to play a key role in bond equilibrium in liquid Sex Te1-x by permitting the formation of ion pairs in which both constituents are effectively chain terminators, thus decreasing the average polymer size. The theory is applied to explain the behavior of the paramagnetic susceptibility, χp, and electronic transport as affected by the Fermi energy EF. It is found that the increase in χp with the concentration of Te is primarily the result of the smaller energy for breaking Te bonds. In addition, attached rings play an important role in determining the effect of temperature on χp. At x<~0.5, the concentrations of both free and attached rings becomes small at high T because of the high concentration of bond defects.

  15. 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.

  16. 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.

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

    PubMed

    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, (1)H 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 NaNO(3) at different temperatures and the corresponding thermodynamic parameters were derived and discussed. The order of -ΔG° and -ΔH° were found to obey Mn(2+)

  18. 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.

  19. 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.

  20. The primordial abundance of deuterium: ionization correction

    NASA Astrophysics Data System (ADS)

    Cooke, Ryan; Pettini, Max

    2016-01-01

    We determine the relative ionization of deuterium and hydrogen in low metallicity damped Lyman α (DLA) and sub-DLA systems using a detailed suite of photoionization simulations. We model metal-poor DLAs as clouds of gas in pressure equilibrium with a host dark matter halo, exposed to the Haardt & Madau background radiation of galaxies and quasars at redshift z ≃ 3. Our results indicate that the deuterium ionization correction correlates with the H I column density and the ratio of successive ion stages of the most commonly observed metals. The N(N II)/N(N I) column density ratio provides the most reliable correction factor, being essentially independent of the gas geometry, H I column density, and the radiation field. We provide a series of convenient fitting formulae to calculate the deuterium ionization correction based on observable quantities. The ionization correction typically does not exceed 0.1 per cent for metal-poor DLAs, which is comfortably below the current measurement precision (2 per cent). However, the deuterium ionization correction may need to be applied when a larger sample of D/H measurements becomes available.

  1. Removal of cadmium(II) ions from aqueous solution using Ni (15 wt.%)-doped α-Fe2O3 nanocrystals: equilibrium, thermodynamic, and kinetic studies.

    PubMed

    OuldM'hamed, Mohamed; Khezami, L; Alshammari, Abdulrahman G; Ould-Mame, S M; Ghiloufi, I; Lemine, O M

    2015-01-01

    The present publication investigates the performance of nanocrystalline Ni (15 wt.%)-doped α-Fe2O3 as an effective nanomaterial for the removal of Cd(II) ions from aqueous solutions. The nanocrystalline Ni-doped α-Fe2O3 powders were prepared by mechanical alloying, and characterized by X-ray diffraction and a vibrating sample magnetometer. Batch-mode experiments were realized to determine the adsorption equilibrium, kinetics, and thermodynamic parameters of toxic heavy metal ions by Ni (15 wt.%)-doped α-Fe2O3. The adsorption isotherms data were found to be in good agreement with the Langmuir model. The adsorption capacity of Cd(II) ion reached a maximum value of about 90.91 mg g(-1) at 328 K and pH 7. The adsorption process kinetics was found to comply with pseudo-second-order rate law. Thermodynamic parameters related to the adsorption reaction, free energy change, enthalpy change and entropy change, were evaluated. The found values of free energy and enthalpy revealed a spontaneous endothermic adsorption-process. Moreover, the positive entropy suggests an increase of randomness during the process of heavy metal removal at the adsorbent-solution interface. PMID:26247760

  2. A Spitzer Survey of Mid-infrared Molecular Emission from Protoplanetary Disks. II. Correlations and Local Thermal Equilibrium Models

    NASA Astrophysics Data System (ADS)

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

    2011-04-01

    We present an analysis of Spitzer Infrared Spectrograph observations of H2O, OH, HCN, C2H2, and CO2 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 μm 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 Hα equivalent width, and tentatively with accretion rate, suggesting that accretional heating contributes to line excitation. If detected, H2O line fluxes are correlated with the mid-IR continuum flux, and other co-varying system parameters, such as L sstarf. 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 H2O emission show that line strength is primarily related to the best-fit emitting area, and this accounts for most source-to-source variation in H2O emitted flux. Best-fit temperatures and column densities cover only a small range of parameter space, near ~1018 cm-2 and 450 K for all sources, suggesting a high abundance of H2O in many planet-forming regions. Other molecules have a range of excitation temperatures from ~500to1500 K, also consistent with an origin in planet-forming regions. We find molecular ratios relative to water of ~10-3 for all molecules, with the exception of CO, for which n(CO)/n(H2O) ~ 1. However, LTE fitting caveats and differences in the way thermo-chemical modeling results are reported make comparisons with

  3. 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

  4. Uncovering multiple Wolf-Rayet star clusters and the ionized ISM in Mrk 178: the closest metal-poor Wolf-Rayet H II galaxy

    NASA Astrophysics Data System (ADS)

    Kehrig, C.; Pérez-Montero, E.; Vílchez, J. M.; Brinchmann, J.; Kunth, D.; García-Benito, R.; Crowther, P. A.; Hernández-Fernández, J.; Durret, F.; Contini, T.; Fernández-Martín, A.; James, B. L.

    2013-07-01

    New integral field spectroscopy (IFS) has been obtained for the nearby metal-poor Wolf-Rayet (WR) galaxy Mrk 178 to examine the spatial correlation between its WR stars and the neighbouring ionized interstellar medium (ISM). The strength of the broad WR features and its low metallicity make Mrk 178 an intriguing object. We have detected the blue and red WR bumps in different locations across the field of view (˜300 pc × 230 pc) in Mrk 178. The study of the WR content has been extended, for the first time, beyond its brightest star-forming knot uncovering new WR star clusters. Using Large/Small Magellanic Cloud-template WR stars, we empirically estimate a minimum of ˜20 WR stars within the region sampled. Maps of the spatial distribution of the emission lines and of the physical-chemical properties of the ionized ISM have been created and analysed. Here, we refine the statistical methodology by Pérez-Montero et al. (2011) to probe the presence of variations in the ISM properties. An error-weighted mean of 12+log(O/H) = 7.72 ± 0.01 is taken as the representative oxygen abundance for Mrk 178. A localized N and He enrichment, spatially correlated with WR stars, is suggested by this analysis. Nebular He II λ4686 emission is shown to be spatially extended reaching well beyond the location of the WR stars. This spatial offset between WRs and He II emission can be explained based on the mechanical energy input into the ISM by the WR star winds, and does not rule out WR stars as the He II ionization source. We study systematic aperture effects on the detection and measurement of the WR features, using Sloan Digital Sky Survey spectra combined with the power of IFS. In this regard, the importance of targeting low metallicity nearby systems is discussed.

  5. 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.

  6. On the modeling of equilibrium twin interfaces in a single-crystalline magnetic shape memory alloy sample. II: numerical algorithm

    NASA Astrophysics Data System (ADS)

    Wang, Jiong; Steinmann, Paul

    2016-05-01

    This is part II of this series of papers. The aim of the current paper was to solve the governing PDE system derived in part I numerically, such that the procedure of variant reorientation in a magnetic shape memory alloy (MSMA) sample can be simulated. The sample to be considered in this paper has a 3D cuboid shape and is subject to typical magnetic and mechanical loading conditions. To investigate the demagnetization effect on the sample's response, the surrounding space of the sample is taken into account. By considering the different properties of the independent variables, an iterative numerical algorithm is proposed to solve the governing system. The related mathematical formulas and some techniques facilitating the numerical calculations are introduced. Based on the results of numerical simulations, the distributions of some important physical quantities (e.g., magnetization, demagnetization field, and mechanical stress) in the sample can be determined. Furthermore, the properties of configurational force on the twin interfaces are investigated. By virtue of the twin interface movement criteria derived in part I, the whole procedure of magnetic field- or stress-induced variant reorientations in the MSMA sample can be properly simulated.

  7. Rapid Assessment of Human Amylin Aggregation and Its Inhibition by Copper(II) Ions by Laser Ablation Electrospray Ionization Mass Spectrometry with Ion Mobility Separation

    PubMed Central

    Donaldson, Robert P.; Jeremic, Aleksandar M.; Vertes, Akos

    2015-01-01

    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. Here, 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 inhibitors of

  8. Nonequilibrium ionization phenomena behind shock waves

    SciTech Connect

    Panesi, Marco; Magin, Thierry; Huo, Winifred

    2011-05-20

    An accurate investigation of the behavior of electronically excited states of atoms and molecules in the post shock relaxation zone of a trajectory point of the FIRE II flight experiment is carried out by means of a one-dimensional flow solver coupled to a collisional-radiative model. In the rapidly ionizing regime behind a strong shock wave, the high lying bound electronic states of atoms are depleted. This leads the electronic energy level populations of atoms to depart from Boltzmann distributions which strongly affects the non-equilibrium ionization process as well as the radiative signature. The importance of correct modeling of the interaction of radiation and matter is discussed showing a strong influence on the physico-chemical properties of the gas. The paper clearly puts forward the shortcomings of the simplified approach often used in literature which strongly relies on the escape factors to characterize the optical thickness of the gas.

  9. 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

  10. Extended ionized gas in elliptical galaxies. II. Velocity and monochromatic maps of 11 elliptical and lenticular galaxies

    NASA Astrophysics Data System (ADS)

    Plana, H.; Boulesteix, J.; Amram, Ph.; Carignan, C.; Mendes de Oliveira, C.

    1998-02-01

    For the last ten years faint ionized gas detection has been carried out for elliptical galaxies with success. The kinematics is essential to understand galaxy gas origin and fate. Here we present a sample of 11 elliptical and lenticular galaxies observed with the ``Cigale" scanning Perot-Fabry instrument. For each galaxy monochromatic and velocity map of ionized gas is presented. Geometrical properties such as viewing angles and axis ratios are also derived from observations. Double gaseous components are found in 3 galaxies of our sample, implying an external origin for at least part of the observed gas. % Based on observations collected with the S.A.O. 6 m telescope located in Nizhnij Arkhyz (Russia), the 3.6 m CFH telescope and the 3.6 m telescope at ESO.

  11. 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.

  12. 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.

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

    PubMed Central

    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. PMID:26401429

  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. Experimental radiative lifetimes for highly excited states and calculated oscillator strengths for lines of astrophysical interest in singly ionized cobalt (Co II)

    NASA Astrophysics Data System (ADS)

    Quinet, P.; Fivet, V.; Palmeri, P.; Engström, L.; Hartman, H.; Lundberg, H.; Nilsson, H.

    2016-11-01

    This work reports new experimental radiative lifetimes and calculated oscillator strengths for transitions of astrophysical interest in singly ionized cobalt. More precisely, 19 radiative lifetimes in Co+ have been measured with the time-resolved laser-induced fluorescence technique using one- and two-step excitations. Out of these, seven belonging to the high lying 3d7(4F)4d configuration in the energy range 90 697-93 738 cm-1 are new, and the other 12 from the 3d7(4F)4p configuration with energies between 45 972 and 49 328 cm-1 are compared with previous measurements. In addition, a relativistic Hartree-Fock model including core-polarization effects has been employed to compute transition rates. Supported by the good agreement between theory and experiment for the lifetimes, new reliable transition probabilities and oscillator strengths have been deduced for 5080 Co II transitions in the spectral range 114-8744 nm.

  17. Ionized carbon in side-illuminated molecular clouds.

    PubMed

    Boreiko, R T; Betz, A L; Zmuidzinas, J

    1990-04-10

    We have observed the 2P3/2-2P1/2 fine-structure line of C II at 1900 GHz in five sources with ionization fronts nearly perpendicular to the plane of the sky. 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 line widths of 3-14 km s-1 are typically wider than those of molecular lines and often show rapid spatial variations in the regions observed. In some sources this may indicate that part of the C II emanates from an ionized gas component, while for others it suggests an association between C II emission and an outflow. The C II brightness temperatures are typically equal to or slighty higher than the dust temperature at all locations observed. In the optically thin approximation, C II excitation temperatures are > or = 100 K and column densities are < or = 10(18) cm-2 for all sources except M17, which has a more intense and complicated line profile with a larger spatial extent than any other source observed. The quoted column density estimates derived in the optically thin limit appear to be somewhat lower than those predicted by models of photodissociation regions for sources with a side-illuminated geometry, but uncertainties in the UV flux and geometry of the ionization front preclude a definitive comparison. The estimated column densities would be higher if the C II emission were somewhat optically thick, in which case the ionized carbon would be more in equilibrium with the dust at temperatures lower than predicted by current models.

  18. Highly ionized stellar winds in Be stars. II - Winds in B6-B9.5e stars

    NASA Technical Reports Server (NTRS)

    Grady, C. A.; Sonneborn, George; Bjorkman, K. S.; Snow, T. P.; Shore, Steven N.

    1989-01-01

    The results of a UV survey of stellar winds and circumstellar shells in 40 B6-B9.5e stars covering luminosity classes V-III are presented. A graph is presented of the region from 1520-1560 A, which includes both the Si II UV multiplet 2 transitions and the C IV resonance transition for selected Be stars in the sample. The detection of shortward-shifted discrete component absorption features in nine of the program stars suggests that the material is produced in a stellar wind, which attains velocities of at least a few hundred km/s.

  19. 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.

  20. 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. PMID:24576559

  1. Equilibrium Shaping

    NASA Astrophysics Data System (ADS)

    Izzo, Dario; Petazzi, Lorenzo

    2006-08-01

    We present a satellite path planning technique able to make identical spacecraft aquire a given configuration. The technique exploits a behaviour-based approach to achieve an autonomous and distributed control over the relative geometry making use of limited sensorial information. A desired velocity is defined for each satellite as a sum of different contributions coming from generic high level behaviours: forcing the final desired configuration the behaviours are further defined by an inverse dynamic calculation dubbed Equilibrium Shaping. We show how considering only three different kind of behaviours it is possible to acquire a number of interesting formations and we set down the theoretical framework to find the entire set. We find that allowing a limited amount of communication the technique may be used also to form complex lattice structures. Several control feedbacks able to track the desired velocities are introduced and discussed. Our results suggest that sliding mode control is particularly appropriate in connection with the developed technique.

  2. On ionization and luminescence in flames

    NASA Technical Reports Server (NTRS)

    Sanger, E; Goercke, P; BREDT I

    1951-01-01

    An explanation based upon reaction kinetics is presented to account for the deviation of measured ionization levels obtained from reflection experiments from the values computed assuming chemical equilibrium. The heat transfer to the unburned fuel is also considered.

  3. A simple and accurate SNP scoring strategy based on typeIIS restriction endonuclease cleavage and matrix-assisted laser desorption/ionization mass spectrometry

    PubMed Central

    Hong, Sun Pyo; Ji, Seung Il; Rhee, Hwanseok; Shin, Soo Kyeong; Hwang, Sun Young; Lee, Seung Hwan; Lee, Soong Deok; Oh, Heung-Bum; Yoo, Wangdon; Kim, Soo-Ok

    2008-01-01

    Background We describe the development of a novel matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF)-based single nucleotide polymorphism (SNP) scoring strategy, termed Restriction Fragment Mass Polymorphism (RFMP) that is suitable for genotyping variations in a simple, accurate, and high-throughput manner. The assay is based on polymerase chain reaction (PCR) amplification and mass measurement of oligonucleotides containing a polymorphic base, to which a typeIIS restriction endonuclease recognition was introduced by PCR amplification. Enzymatic cleavage of the products leads to excision of oligonucleotide fragments representing base variation of the polymorphic site whose masses were determined by MALDI-TOF MS. Results The assay represents an improvement over previous methods because it relies on the direct mass determination of PCR products rather than on an indirect analysis, where a base-extended or fluorescent report tag is interpreted. The RFMP strategy is simple and straightforward, requiring one restriction digestion reaction following target amplification in a single vessel. With this technology, genotypes are generated with a high call rate (99.6%) and high accuracy (99.8%) as determined by independent sequencing. Conclusion The simplicity, accuracy and amenability to high-throughput screening analysis should make the RFMP assay suitable for large-scale genotype association study as well as clinical genotyping in laboratories. PMID:18538037

  4. 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.

  5. 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.

  6. A Uniform Analysis of the Lyα Forest at z=0-5. II. Measuring the Mean Intensity of the Extragalactic Ionizing Background Using the Proximity Effect

    NASA Astrophysics Data System (ADS)

    Scott, Jennifer; Bechtold, Jill; Dobrzycki, Adam; Kulkarni, Varsha P.

    2000-09-01

    Moderate-resolution data for 40 quasi-stellar objects (QSOs) at z~2 were combined with spectra of comparable resolution of 59 QSOs with redshifts greater than 1.7 found in the literature to form a large, homogeneous sample of moderate-resolution (~1 Å) QSO spectra. These spectra were presented and the statistics of the Lyα forest were discussed in Paper I. In this analysis, we demonstrate that a proximity effect is present in the data; i.e., there exists a significant (5.5 σ) deficit of lines at zabs~zem. Within 1.5 h-1 Mpc of the QSO emission redshift, the significance does depend on QSO luminosity, in accordance with the theory that this effect is caused by enhanced ionization of hydrogen in the vicinity of the QSO from UV photons from the QSO itself. The photoionization model of Bajtlik, Duncan, & Ostriker permits an estimate of the mean intensity of the extragalactic background radiation at the Lyman limit. We compare the results of this standard analysis with those obtained using a maximum likelihood technique. If the spectrum of the background is assumed to be identical to that of each individual QSO, and if this background is assumed to be constant over the redshift range 1.7II for the 35 objects for which they are measured and adding 400 km s-1 to the remaining QSO Lyα redshifts gives a lower value of J(ν0), 7.0+3.4-4.4×10-22 ergs s-1 cm-2 Hz-1 sr-1. This value is in reasonable agreement with the predictions of various models of the ionizing background based on the integrated quasar luminosity function. Allowing for the fact that individual QSOs have different spectral indices that may also be

  7. Removal of mercury(II) from aqueous solutions and chlor-alkali industry effluent by steam activated and sulphurised activated carbons prepared from bagasse pith: kinetics and equilibrium studies.

    PubMed

    Anoop Krishnan, K; Anirudhan, T S

    2002-05-27

    The adsorption of mercury from aqueous solutions and chlor-alkali industry effluent on steam activated and sulphurised steam activated carbons prepared from bagasse pith have been studied comparatively. The uptake of mercury(II) (Hg(II)) was maximum by steam activated carbon in presence of SO(2) and H(2)S (SA-SO(2)-H(2)S-C) followed by steam activated carbon in presence of SO(2) (SA-SO(2)-C), steam activated carbon in presence of H(2)S (SA-H(2)S-C) and steam activated carbon (SA-C) at the same concentration, pH and temperature of the solution. Adsorption experiments demonstrate that the adsorption process corresponds to the pseudo-second-order kinetic model and equilibrium results correspond to the Langmuir adsorption isotherm. Kinetic parameters as a function of initial concentration, for all adsorbents were calculated. Batch studies indicated that the optimum pH range for the adsorption of Hg(II) on sulphurised carbons was between 4 and 9 and for sulphur free carbon was between 6 and 9 at 30 degrees C. The adsorptive behaviour of the activated carbons is explained on the basis of their chemical nature and porous texture. Decrease in ionic strength and increase in temperature of the solution has been found to improve the uptake of Hg(II). Synthetic and chlor-alkali industrial wastewaters were also treated by sulphurised activated carbons to demonstrate their efficiencies in removing Hg(II) from wastewaters. Some feasibility experiments have been carried out with a view to recover the adsorbed Hg(II) and regenerate the spent activated carbons using 0.2M HCl solution. The data obtained point towards viable adsorbents, which are both effective as well as economically attractive for Hg(II) removal from wastewaters.

  8. An evaluation of the potential triggers of photoinactivation of photosystem II in the context of a Stern-Volmer model for downregulation and the reversible radical pair equilibrium model.

    PubMed Central

    Oxborough, K; Baker, N R

    2000-01-01

    Photoinactivation of photosystem II (PS II) is a light-dependent process that frequently leads to break-down and replacement of the D1 polypeptide. Photoinhibition occurs when the rate of photoinactivation is greater than the rate at which D1 is replaced and results in a decrease in the maximum efficiency of PS II photochemistry. Downregulation, which increases non-radiative decay within PS II, also decreases the maximum efficiency of PS II photochemistry and plays an important role in protecting against photoinhibition by reducing the yield of photoinactivation. The yield of photoinactivation has been shown to be relatively insensitive to photosynthetically active photon flux density (PPFD). Formation of the P680 radical (P680+), through charge separation at PS II, generation of triplet-state P680 (3P680*), through intersystem crossing and charge recombination, and double reduction of the primary stable electron acceptor of PS II (the plastoquinone, Q(A)) are all potentially critical steps in the triggering of photoinactivation. In this paper, these processes are assessed using fluorescence data from attached leaves of higher plant species, in the context of a Stern-Volmer model for downregulation and the reversible radical pair equilibrium model. It is shown that the yield of P680+ is very sensitive to PPFD and that downregulation has very little effect on its production. Consequently, it is unlikely to be the trigger for photoinactivation. The yields of 3P680* generated through charge recombination or intersystem crossing are both less sensitive to PPFD than the yield of P680+ and are both decreased by down regulation. The yield of doubly reduced Q(A) increases with incident photon flux density at low levels, but is relatively insensitive at moderate to high levels, and is greatly decreased by downregulation. Consequently, 3P680* and doubly reduced Q(A) are both viable as triggers of photoinactivation. PMID:11128002

  9. Evidence for an essential role of intradimer interaction in catalytic function of carnosine dipeptidase II using electrospray-ionization mass spectrometry.

    PubMed

    Okumura, Nobuaki; Tamura, Jun; Takao, Toshifumi

    2016-02-01

    Carnosine dipeptidase II (CN2/CNDP2) is an M20 family metallopeptidase that hydrolyses various dipeptides including β-alanyl-L-histidine (carnosine). Crystallographic analysis showed that CN2 monomer is composed of one catalytic and one dimerization domains, and likely to form homodimer. In this crystal, H228 residue of the dimerization domain interacts with the substrate analogue bestatin on the active site of the dimer counterpart, indicating that H228 is involved in enzymatic reaction. In the present study, the role of intradimer interaction of CN2 in its catalytic activity was investigated using electrospray-ionization time-of-flight mass spectrometry (ESI-TOF MS). First, a dimer interface mutant I319K was prepared and shown to be present as a folded monomer in solution as examined by using ESI-TOF MS. Since the mutant was inactive, it was suggested that dimer formation is essential to its enzymatic activity. Next, we prepared H228A and D132A mutant proteins with different N-terminal extended sequences, which enabled us to monitor dimer exchange reaction by ESI-TOF MS. The D132A mutant is a metal ligand mutant and also inactive. But the activity was partially recovered time-dependently when H228A and D132A mutant proteins were incubated together. In parallel, H228A/D132A heterodimer was formed as detected by ESI-TOF MS, indicating that interaction of a catalytic center with H228 residue of the other subunit is essential to the enzymatic reaction. These results provide evidence showing that intradimer interaction of H228 with the reaction center of the dimer counterpart is essential to the enzymatic activity of CN2.

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

    SciTech Connect

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

    2011-05-20

    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.

  11. Optimization, equilibrium, kinetic, thermodynamic and desorption studies on the sorption of Cu(II) from an aqueous solution using marine green algae: Halimeda gracilis.

    PubMed

    Jayakumar, R; Rajasimman, M; Karthikeyan, C

    2015-11-01

    The aptitude of marine green algae Helimeda gracilis for sorption of Cu(II) ions from an aqueous solution was studied in batch experiments. The effect of relevant parameters such as function of pH, sorbent dosage, agitation speed and contact time was evaluated by using Response surface methodology (RSM). A maximum percentage removal of Cu (II) by Halimeda gracilis occurs at pH-4.49, sorbent dosage-1.98g/L, agitation speed-119.43rpm and contact time-60.21min. Further, the sorbent was characterized by using Fourier Transform Infrared Spectroscopy (FTIR) and Scanning electron microscope (SEM) analysis. Experimental data were analyzed in terms of pseudo-first order, pseudo-second order, intraparticle diffusion, power function and elovich kinetic models. The results showed that the sorption process of Cu(II) ions followed well pseudo-second order kinetics. The sorption data of Cu(II) ions at 308.15K are fitted to Langmuir, Freundlich, Dubinin-Radushkevich (D-R), Temkin, Sips and Toth isotherms. Sorption of Cu(II) onto marine green algae Helimeda gracilis followed the Langmuir and Toth isotherm models (R(2)=0.998 and R(2)=0.999) with the maximum sorption capacity of 38.46 and 38.07mg/g. The calculated thermodynamic parameters such as ΔG°, ΔH° and ΔS° showed that the sorption of Cu(II) ions onto Helimeda gracilis biomass was feasible, spontaneous and endothermic. Desorption study shows that the sorbent could be regenerated using 0.2M HCl solution, with up to 89% recovery.

  12. 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.

  13. Clusters containing open-shell molecules. II. Equilibrium structures of ArnOH Van der Waals clusters (X2Pi, n=1 to 15)

    NASA Astrophysics Data System (ADS)

    Xu, Minzhong; Bacic, Zlatko; Hutson, Jeremy M.

    2002-09-01

    The equilibrium and low-lying isomeric structures of ArnOH (X2)Pi clusters for n=1 to 15 are investigated by simulated annealing calculations. Potential energy surfaces are obtained by a pairwise-additive approach, taking into account the open-shell nature of OH X2Pi and including spin-orbit coupling. It is found that the spin-orbit coupling suppresses the Jahn-Teller effect, and many of the clusters have high-symmetry structures (Cnnu with n>2) which would be forbidden in the absence of spin-orbit coupling. The structures are generally similar to those previously found for the closed-shell systems ArnHF and ArnHCl, but different from those for the open-shell systems ArnNO and ArnCH. This is because Ar-OH (X2)Pi, like Ar-HF and Ar-HCl but unlike Ar-NO and Ar-CH, has a near-linear equilibrium structure. ArnOH clusters for n up to 6 have all Ar atoms in a single shell around OH. In the clusters with n=7 to 9, OH is under a pentagonal pyramid formed by six Ar atoms, while the others bind to its exterior, away from OH. For n=10 to 12, the minimum-energy structures have OH inside an Arn cage, which is essentially icosahedral for n=12 but has vacancies for n=10 and 11. For n>12, the extra Ar atoms begin to form a second solvation shell. The global minimum of ArnOH may be constructed from the minimum-energy structure of Arn+1 by replacing one Ar atom with OH.

  14. 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.

  15. 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.

  16. Effect of elastic fields of dislocations on the equilibrium configurations of self-interstitial atoms in cubic crystals. Part II. FCC copper crystal

    SciTech Connect

    Ivanov, V.V.; Chernov, V.M.

    1987-06-01

    The aim of this study is to obtain the energy parameters of the interaction of dislocations of various types with different self-interstitial atom (SIA) configurations in an elastically anisotropic fcc copper crystal. The data from calculations of such interaction make it possible to identify the types of equilibrium SIA configurations that exist in the neighborhood of dislocations and to compare the results with the previously studied case of a bcc iron crystal. The calculations were carried out on the basis of available data on SIA characteristics, obtained with the aid of computer calculations of the parameters of point defects in a fcc copper crystal. The interaction of dislocations with an SIA results in the stabilization of the SIA configurations that are metastable in the absence of elastic fields. The size of the region of stabilization of the <110> dumbbell configuration depends weakly on the type of dislocation and is determined by the distance r = 3b. The distinctive features of the interaction of an SIA with a 60/sup 0/ dislocation enable us to speak of the high mobility of the interstitial atom along the dislocation line. An edge dislocation, interacting with an SIA, causes the SIA to hover as a <110> dumbbell configuration at a distance r = 3b from the line of the dislocation.

  17. Identification of complexes containing glutathione with As(III), Sb(III), Cd(II), Hg(II), Tl(I), Pb(II) or Bi(III) by electrospray ionization mass spectrometry.

    PubMed

    Burford, Neil; Eelman, Melanie D; Groom, Katherine

    2005-10-01

    Electrospray ionization mass spectrometry (ESI-MS) of mixtures containing glutathione (GSH) and nitrates, oxides or chlorides of the heavy metals, arsenic, antimony, cadmium, mercury, thallium, lead or bismuth allows for definitive identification of complexes in the gas phase. In the positive ion mode, spectra show prominent m/z peaks that are assigned to monocations of general formulae [E(GSH)-xH]+ (E = Cd, Hg, Tl, Pb, As, Sb or Bi; x = 0, 1 or 2), [E(GSH)2-xH]+ (E = Hg, As, Sb, or Bi; x = 1 or 2), [E(GSH)3-xH]+ (E = As, Sb or Bi; x = 2), [E2(GSH)-xH]+ (E = Tl or Pb; x = 1 or 3), [E2(GSH)2-xH]+ (E = Bi; x = 5), [E2(GSH)3-xH]+ (E = Bi; x = 5), and/or [E3(GSH)-xH]+ (E = Tl; x = 2). Spectra obtained in the negative ion mode give m/z peaks observed in assigned to monoanionic species that correspond to some of the monocationic species listed above with two protons removed. The results demonstrate the potential application of ESI-MS as a versatile and efficient approach to study toxic heavy metals in biological systems. In addition, the observations provide a foundation database to understand the chemistry of these heavy metals with bio-molecules.

  18. 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.

  19. Ionization chamber

    DOEpatents

    Walenta, A.H.

    An ionization chamber is described which 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 ionizes the gas.

  20. 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.

  1. Calculation of equilibrium constants from multiwavelength spectroscopic data--II: SPECFIT: two user-friendly programs in basic and standard FORTRAN 77.

    PubMed

    Gampp, H; Maeder, M; Meyer, C J; Zuberbühler, A D

    1985-04-01

    A new program (SPECFIT), written in HP BASIC or FORTRAN 77, for the calculation of stability constants from spectroscopic data, is presented. Stability constants have been successfully calculated from multiwavelength spectrophotometric and EPR data, but the program can be equally well applied to the numerical treatment of other spectroscopic measurements. The special features included in SPECFIT to improve convergence, increase numerical reliability, and minimize memory as well as computing time requirements, include (i) elimination of the linear parameters (i.e., molar absorptivities), (ii) the use of analytical instead of numerical derivatives and (iii) factor analysis. Calculation of stability constants from spectroscopic data is then as straightforward as from potentiometric titration curves and gives results of analogous reproducibility. The spectroscopic method has proved, however, to be superior in discrimination between chemical models.

  2. 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.

  3. 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. PMID:27084802

  4. 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.

  5. Fluid hydrogen at high density - Pressure ionization

    NASA Technical Reports Server (NTRS)

    Saumon, Didier; Chabrier, Gilles

    1992-01-01

    The Helmholtz-free-energy model for nonideal mixtures of hydrogen atoms and molecules by Saumon and Chabrier (1991) is extended to describe dissociation and ionization in similar mixtures in chemical equilibrium. A free-energy model is given that describes partial ionization in the pressure and temperature ionization region. The plasma-phase transition predicted by the model is described for hydrogen mixtures including such components as H2, H, H(+), and e(-). The plasma-phase transition has a critical point at Tc = 15,300 K and Pc = 0.614 Mbar, and thermodynamic instability is noted in the pressure-ionization regime. The pressure dissociation and ionization of fluid hydrogen are described well with the model yielding information on the nature of the plasma-phase transition. The model is shown to be valuable for studying dissociation and ionization in astrophysical objects and in high-pressure studies where pressure and temperature effects are significant.

  6. Fine- and hyperfine-structure effects in molecular photoionization. II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations

    NASA Astrophysics Data System (ADS)

    Germann, Matthias; Willitsch, Stefan

    2016-07-01

    Resonance-enhanced multiphoton ionization (REMPI) is a widely used technique for studying molecular photoionization and producing molecular cations for spectroscopy and dynamics studies. Here, we present a model for describing hyperfine-structure effects in the REMPI process and for predicting hyperfine populations in molecular ions produced by this method. This model is a generalization of our model for fine- and hyperfine-structure effects in one-photon ionization of molecules presented in Paper I [M. Germann and S. Willitsch, J. Chem. Phys. 145, 044314 (2016)]. This generalization is achieved by covering two main aspects: (1) treatment of the neutral bound-bound transition including the hyperfine structure that makes up the first step of the REMPI process and (2) modification of our ionization model to account for anisotropic populations resulting from this first excitation step. Our findings may be used for analyzing results from experiments with molecular ions produced by REMPI and may serve as a theoretical background for hyperfine-selective ionization experiments.

  7. 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. ...

  8. Characterization of Sulfolipids of Mycobacterium tuberculosis H37Rv by Multiple-stage Linear Ion-trap High Resolution Mass Spectrometry with Electrospray Ionization Reveals that Family of Sulfolipid II predominates

    PubMed Central

    Rhoades, Elizabeth R.; Streeter, Cassandra; Turk, John; Hsu, Fong-Fu

    2011-01-01

    Mycobacterium tuberculosis, the causative agent of tuberculosis, is unique among bacterial pathogens in that it contains a wide array of complex lipids and lipoglycans on its cell wall. Among them, the sulfated glycolipid, termed sulfolipid is thought to mediate specific host pathogen interactions during infection. Sulfolipids (SLs) including sulfolipid I (SL-I) and sulfolipid II (SL-II) are 2,3,6,6'-tetraacyltrehalose 2'-sulfates. SL-I was identified as a family of homologous 2-palmitoyl(stearoyl)-3-phthioceranoyl, 6,6'-bis(hydroxyphthioceranoy1)-trehalose 2'-sulfate and was believed to be the principal sulfolipid of Mycobacterium tuberculosis strain H37Rv. We cultured and extracted sulfolipids using various conditions including those originally described and employed high-resolution multiple-stage linear ion-trap mass spectrometry with electrospray ionization to characterize the structure of the principal SL. We revealed that SL-II, a family of homologous 2-stearoyl(palmitoyl)-3,6,6'-tris(hydroxyphthioceranoy1)-trehalose2'-sulfates, rather than SL-I is the principal sulfolipid class. We identified a great number of isomers resulting from permutation of the various hydroxyphthioceranoyl substituents at 6- and 6'-position of the trehalose backbone for each of the SL-II species in the entire family. We redefined the structure of this important lipid family that was mis-assigned using the traditional methods 40 years ago. PMID:21919534

  9. 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.

  10. On the Dynamical Evolution of H II Regions: An Investigation of the Ionized Component of W4, a Galactic Chimney Candidate. I. Kinematics and Dynamics in the Latitude Range 0° <= b <= 3°

    NASA Astrophysics Data System (ADS)

    Lagrois, Dominic; Joncas, Gilles

    2009-02-01

    Fabry-Perot interferometry was used to obtain an Hα survey of the most emissive part of W4, a giant superbubble/H II region located in the Perseus arm. Presented by Normandeau and colleagues as an H I cavity aiming away from the Galactic plane, the void has been morphologically interpreted as a Galactic chimney candidate in interaction with the Galactic corona. We present the kinematical results of nearly five million Hα spectra obtained in the southern portion of the nebula (0° <= b <= 3°). Many small-scale radial velocity gradients are detected in the embedded ionized component and are attributed to the photoionization of dense, mostly molecular, fragments found either in or at the periphery of the expanding supershell. The mean local standard of rest radial velocity associated with our Hα survey is found at -42.565 ± 5.204 (1σ) km s-1, redshifted by roughly 5 km s-1 from the molecular material found in the vicinity of the large superbubble. Investigation of the Hα line-width measurements has shown W4-south to fall in a transient regime between low velocity dispersions characteristic of small-size Galactic H II regions and supersonic line widths associated with supergiant extragalactic structures. The overall kinematics of W4-south is best explained with the Champagne model for the dynamical evolution of H II regions where at least 10 independent gas flows crisscross the nebula. For the first time, a Champagne flow is seen coming to an end within a nebula, mingling with the surrounding ionized gas. The nature (molecular versus atomic) of the neutral material, prone to erosion, is critical as it leads to much different kinematical interpretations. W4-south appears as a text book example of the last stage in the life of a giant molecular cloud complex.

  11. 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.

  12. 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.

  13. Princeton spectral equilibrium code: PSEC

    SciTech Connect

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

    1985-05-15

    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-c 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.

  14. 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.

  15. 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

  16. 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.

  17. 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…

  18. Charge states of energetic tellurium ions: Equilibrium and non-equilibrium calculations

    NASA Astrophysics Data System (ADS)

    Kartavykh, Y.; Droege, W.; Klecker, B.; Kocharov, L.; Moebius, E.

    2007-12-01

    Recently, very high abundances of ultraheavy ions were observed in impulsive SEP events, compared to coronal abundances with enrichment factors of >100 for atomic mass > 100 amu. Because wave/particle interaction processes, as discussed for heavy ion enrichment and acceleration, depend critically on the mass per charge (M/Q) of the ions, an estimate of the ionic charge is very important for model calculations. In any realistic acceleration model one would have to use the ionization and recombination rates of these ions as a function of energy, because charge changing processes in the solar corona are inevitable and energy dependent. As an example of high mass ions, we calculate the equilibrium and non-equilibrium charge states for tellurium ions (Te, nuclear charge 52), and present a method to estimate the cross sections and rates for ionization and recombination of ions with arbitrary nuclear charge Z and atomic mass number A.

  19. Collisional radiative coarse-grain model for ionization in air

    NASA Astrophysics Data System (ADS)

    Panesi, Marco; Lani, Andrea

    2013-05-01

    We present a reduced kinetic mechanism for the modeling of the behavior of the electronic states of the atomic species in air mixtures. The model is built by lumping the electronically excited states of the atomic species and by performing Maxwell-Boltzmann averages of the rate constants describing the elementary kinetic processes of the individual states within each group. The necessary reaction rate coefficients are taken from the model compiled by Bultel et al. ["Collisional-radiative model in air for earth re-entry problems," Phys. Plasmas 13, 043502 (2006), 10.1063/1.2194827]. The reduced number of pseudo-states considered leads to a significant reduction of the computational cost, thus enabling the application of the state of the art collisional radiative models to bi-dimensional and three-dimensional problems. The internal states of the molecular species are assumed to be in equilibrium. The rotational energy mode is assumed to quickly equilibrate with the translational energy mode at the kinetic temperature of the heavy species as opposed to the electronic and the vibrational modes, assumed to be in Maxwell-Boltzmann equilibrium at a common temperature TV. In a first step we validate the model by using simple zero- and one-dimensional test cases for which the full kinetic mechanism can be run efficiently. Finally, the reduced kinetic model is used to analyze the strong non-equilibrium flow surrounding the FIRE II flight experiment during the early part of its re-entry trajectory. It is found that the reduced kinetic mechanism is capable of reproducing the ionizational non-equilibrium phenomena, responsible for the drastic reduction of the radiative heat loads on the space capsules during the re-entry phase.

  20. 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

  1. Norfloxacin Zn(II)-based complexes: acid base ionization constant determination, DNA and albumin binding properties and the biological effect against Trypanosoma cruzi.

    PubMed

    Gouvea, Ligiane R; Martins, Darliane A; Batista, Denise da Gama Jean; Soeiro, Maria de Nazaré C; Louro, Sonia R W; Barbeira, Paulo J S; Teixeira, Letícia R

    2013-10-01

    Zn(II) complexes with norfloxacin (NOR) in the absence or in the presence of 1,10-phenanthroline (phen) were obtained and characterized. In both complexes, the ligand NOR was coordinated through a keto and a carboxyl oxygen. Tetrahedral and octahedral geometries were proposed for [ZnCl2(NOR)]·H2O (1) and [ZnCl2(NOR)(phen)]·2H2O (2), respectively. Since the biological activity of the chemicals depends on the pH value, pH titrations of the Zn(II) complexes were performed. UV spectroscopic studies of the interaction of the complexes with calf-thymus DNA (CT DNA) have suggested that they can bind to CT DNA with moderate affinity in an intercalative mode. The interactions between the Zn(II) complexes and bovine serum albumin (BSA) were investigated by steady-state and time-resolved fluorescence spectroscopy at pH 7.4. The experimental data showed static quenching of BSA fluorescence, indicating that both complexes bind to BSA. A modified Stern-Volmer plot for the quenching by complex 2 demonstrated preferential binding near one of the two tryptophan residues of BSA. The binding constants obtained (K b ) showed that BSA had a two orders of magnitude higher affinity for complex 2 than for 1. The results also showed that the affinity of both complexes for BSA was much higher than for DNA. This preferential interaction with protein sites could be important to their biological mechanisms of action. The analysis in vitro of the Zn(II) complexes and corresponding ligand were assayed against Trypanosoma cruzi, the causative agent of Chagas disease and the data showed that complex 2 was the most active against bloodstream trypomastigotes.

  2. 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.

    2016-08-01

    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.

  3. 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.

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

    PubMed

    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.

  5. 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)

  6. ON RADIATION PRESSURE IN STATIC, DUSTY H II REGIONS

    SciTech Connect

    Draine, B. T.

    2011-05-10

    Radiation pressure acting on gas and dust causes H II regions to have central densities that are lower than the density near the ionized boundary. H II regions in static equilibrium comprise a family of similarity solutions with three parameters: {beta}, {gamma}, and the product Q{sub 0} n{sub rms}; {beta} characterizes the stellar spectrum, {gamma} characterizes the dust/gas ratio, Q{sub 0} is the stellar ionizing output (photons/s), and n{sub rms} is the rms density within the ionized region. Adopting standard values for {beta} and {gamma}, varying Q{sub 0} n{sub rms} generates a one-parameter family of density profiles, ranging from nearly uniform density (small Q{sub 0} n{sub rms}) to shell-like (large Q{sub 0} n{sub rms}). When Q{sub 0} n{sub rms} {approx}> 10{sup 52} cm{sup -3} s{sup -1}, dusty H II regions have conspicuous central cavities, even if no stellar wind is present. For given {beta}, {gamma}, and Q{sub 0} n{sub rms}, a fourth quantity, which can be Q{sub 0}, determines the overall size and density of the H II region. Examples of density and emissivity profiles are given. We show how quantities of interest-such as the peak-to-central emission measure ratio, the rms-to-mean density ratio, the edge-to-rms density ratio, and the fraction of the ionizing photons absorbed by the gas-depend on {beta}, {gamma}, and Q{sub 0} n{sub rms}. For dusty H II regions, compression of the gas and dust into an ionized shell results in a substantial increase in the fraction of the stellar photons that actually ionize H (relative to a uniform-density H II region with the same dust/gas ratio and density n = n{sub rms}). We discuss the extent to which radial drift of dust grains in H II regions can alter the dust-to-gas ratio. The applicability of these solutions to real H II regions is discussed.

  7. 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. PMID:16722770

  8. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2013-06-01

    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 60Co 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.

  10. 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.

  11. Equilibrium games in networks

    NASA Astrophysics Data System (ADS)

    Li, Angsheng; Zhang, Xiaohui; Pan, Yicheng; Peng, Pan

    2014-12-01

    It seems a universal phenomenon of networks that the attacks on a small number of nodes by an adversary player Alice may generate a global cascading failure of the networks. It has been shown (Li et al., 2013) that classic scale-free networks (Barabási and Albert, 1999, Barabási, 2009) are insecure against attacks of as small as O(logn) many nodes. This poses a natural and fundamental question: Can we introduce a second player Bob to prevent Alice from global cascading failure of the networks? We proposed a game in networks. We say that a network has an equilibrium game if the second player Bob has a strategy to balance the cascading influence of attacks by the adversary player Alice. It was shown that networks of the preferential attachment model (Barabási and Albert, 1999) fail to have equilibrium games, that random graphs of the Erdös-Rényi model (Erdös and Rényi, 1959, Erdös and Rényi, 1960) have, for which randomness is the mechanism, and that homophyly networks (Li et al., 2013) have equilibrium games, for which homophyly and preferential attachment are the underlying mechanisms. We found that some real networks have equilibrium games, but most real networks fail to have. We anticipate that our results lead to an interesting new direction of network theory, that is, equilibrium games in networks.

  12. Immunity by equilibrium.

    PubMed

    Eberl, Gérard

    2016-08-01

    The classical model of immunity posits that the immune system reacts to pathogens and injury and restores homeostasis. Indeed, a century of research has uncovered the means and mechanisms by which the immune system recognizes danger and regulates its own activity. However, this classical model does not fully explain complex phenomena, such as tolerance, allergy, the increased prevalence of inflammatory pathologies in industrialized nations and immunity to multiple infections. In this Essay, I propose a model of immunity that is based on equilibrium, in which the healthy immune system is always active and in a state of dynamic equilibrium between antagonistic types of response. This equilibrium is regulated both by the internal milieu and by the microbial environment. As a result, alteration of the internal milieu or microbial environment leads to immune disequilibrium, which determines tolerance, protective immunity and inflammatory pathology.

  13. Local temperature of out-of-equilibrium quantum electron systems

    NASA Astrophysics Data System (ADS)

    Meair, J.; Bergfield, J. P.; Stafford, C. A.; Jacquod, Ph.

    2014-07-01

    We show how the local temperature of out-of-equilibrium, quantum electron systems can be consistently defined with the help of an external voltage and temperature probe. We determine sufficient conditions under which the temperature measured by the probe (i) is independent of details of the system-probe coupling, (ii) is equal to the temperature obtained from an independent current-noise measurement, (iii) satisfies the transitivity condition expressed by the zeroth law of thermodynamics, and (iv) is consistent with Carnot's theorem. This local temperature therefore characterizes the system in the common sense of equilibrium thermodynamics, but remains well defined even in out-of-equilibrium situations with no local equilibrium.

  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. TOPICAL REVIEW: Nonlocal impact ionization and avalanche multiplication

    NASA Astrophysics Data System (ADS)

    Rees, G. J.; David, J. P. R.

    2010-06-01

    Impact ionization and avalanche multiplication are conventionally described in terms of ionization coefficients which depend only upon the local electric field. Such a description takes no account of the effect of ionization dead space, within which the population distribution, and hence the ionization coefficient of carriers injected cool approach equilibrium with the high electric field, inhibiting ionization and reducing multiplication. This effect, which increases in importance as device dimensions are reduced, clearly benefits such high field devices as transistors by suppressing parasitic avalanche multiplication. It also improves the performance of avalanche photodiodes (APDs) by reducing the spatial randomness of impact ionization, so that the resulting excess multiplication noise is also reduced. It reduces temperature sensitivity and may also further enhance APD speed. This paper reviews these effects and some theoretical models used to describe them. In memory of Peter Robson, who inspired and encouraged scientists and engineers, young and old.

  16. Equilibrium CO bond lengths

    NASA Astrophysics Data System (ADS)

    Demaison, Jean; Császár, Attila G.

    2012-09-01

    Based on a sample of 38 molecules, 47 accurate equilibrium CO bond lengths have been collected and analyzed. These ultimate experimental (reEX), semiexperimental (reSE), and Born-Oppenheimer (reBO) equilibrium structures are compared to reBO estimates from two lower-level techniques of electronic structure theory, MP2(FC)/cc-pVQZ and B3LYP/6-311+G(3df,2pd). A linear relationship is found between the best equilibrium bond lengths and their MP2 or B3LYP estimates. These (and similar) linear relationships permit to estimate the CO bond length with an accuracy of 0.002 Å within the full range of 1.10-1.43 Å, corresponding to single, double, and triple CO bonds, for a large number of molecules. The variation of the CO bond length is qualitatively explained using the Atoms in Molecules method. In particular, a nice correlation is found between the CO bond length and the bond critical point density and it appears that the CO bond is at the same time covalent and ionic. Conditions which permit the computation of an accurate ab initio Born-Oppenheimer equilibrium structure are discussed. In particular, the core-core and core-valence correlation is investigated and it is shown to roughly increase with the bond length.

  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. WHAM observations of ionized gas in the inner Milky Way

    NASA Astrophysics Data System (ADS)

    Hill, Alex S.; Haffner, L. Matthew; Benjamin, Robert A.; Gostisha, Martin; Barger, Kathleen

    2016-01-01

    We present Wisconsin H-Alpha Mapper (WHAM) observations of ionized gas in the southern Milky Way. We include spectroscopic maps of H-Alpha, [S II], and [N II]. The data includes the Scutum-Centaurus Arm, for which we measure an exponential scale height about 20% less than that in the Perseus Arm in the outer Galaxy. The H-alpha scale height suggests a lower electron scale height in both arms than is measured locally from pulsar dispersion. The [N II] and [S II] data provide information about the temperature and ionization state of the gas: gas in the warm ionized medium is generally warmer (≈8000 K) and in lower ionization states than gas in classical H II regions. WHAM research and operations are supported through NSF Award AST-1108911.

  19. IONIZED NITROGEN AT HIGH REDSHIFT

    SciTech Connect

    Decarli, R.; Walter, F.; Neri, R.; Cox, P.; Bertoldi, F.; Carilli, C.; Kneib, J. P.; Lestrade, J. F.; Maiolino, R.; Omont, A.; Richard, J.; Riechers, D.; Thanjavur, K.; Weiss, A.

    2012-06-10

    We present secure [N II]{sub 205{mu}m} detections in two millimeter-bright, strongly lensed objects at high redshift, APM 08279+5255 (z = 3.911) and MM 18423+5938 (z = 3.930), using the IRAM Plateau de Bure Interferometer. Due to its ionization energy [N II]{sub 205{mu}m} is a good tracer of the ionized gas phase in the interstellar medium. The measured fluxes are S([N II]{sub 205{mu}m}) = (4.8 {+-} 0.8) Jy km s{sup -1} and (7.4 {+-} 0.5) Jy km s{sup -1}, respectively, yielding line luminosities of L([N II]{sub 205{mu}m}) = (1.8 {+-} 0.3) Multiplication-Sign 10{sup 9} {mu}{sup -1} L{sub Sun} for APM 08279+5255 and L([N II]{sub 205{mu}m}) = (2.8 {+-} 0.2) Multiplication-Sign 10{sup 9} {mu}{sup -1} L{sub Sun} for MM 18423+5938. Our high-resolution map of the [N II]{sub 205{mu}m} and 1 mm continuum emission in MM 18423+5938 clearly resolves an Einstein ring in this source and reveals a velocity gradient in the dynamics of the ionized gas. A comparison of these maps with high-resolution EVLA CO observations enables us to perform the first spatially resolved study of the dust continuum-to-molecular gas surface brightness ({Sigma}{sub FIR}{proportional_to}{Sigma}{sup N}{sub CO}, which can be interpreted as the star formation law) in a high-redshift object. We find a steep relation (N = 1.4 {+-} 0.2), consistent with a starbursting environment. We measure a [N II]{sub 205{mu}m}/FIR luminosity ratio in APM 08279+5255 and MM 18423+5938 of 9.0 Multiplication-Sign 10{sup -6} and 5.8 Multiplication-Sign 10{sup -6}, respectively. This is in agreement with the decrease of the [N II]{sub 205{mu}m}/FIR ratio at high FIR luminosities observed in local galaxies.

  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. 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…

  2. 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.

  3. 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.

  4. 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

    2014-06-01

    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

  5. Tuning of the Copper–Thioether Bond in Tetradentate N3S(thioether) Ligands; O–O Bond Reductive Cleavage via a [CuII2(μ-1,2-peroxo)]2+/[CuIII2(μ-oxo)2]2+ Equilibrium

    PubMed Central

    2015-01-01

    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-CuI}2-(O2) species L = DMMESE, DMMESP, and DMMESDP, 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. CuI and CuII complexes have been synthesized and crystallographically characterized. Copper(I) complexes are dimeric in the solid state, [{L-CuI}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-CuII(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 {(DMMESE)CuI}+ results in the formation of a trans-μ-1,2-peroxodicopper(II) species [{(DMMESE)CuII}2(μ-1,2-O22–)]2+ (1P). Weakening the Cu–S bond via a change to the thioether donor found in DMMESP leads to the initial formation of [{(DMMESP)CuII}2(μ-1,2-O22–)]2+ (2P) that subsequently isomerizes to a bis-μ-oxodicopper(III) complex, [{(DMMESP)CuIII}2(μ-O2–)2]2+ (2O), with 2P and 2O in equilibrium (Keq = [2O]/[2P] = 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 DMMESDP or substitution with an ether donor in DMMEOE leads to only a bis-μ-oxo species (3O and 4O, respectively). Reactivity studies indicate that the bis-μ-oxodicopper(III) species (2O, 3O) and not the trans-peroxo isomers (1P and 2P) are responsible for the observed ligand sulfoxidation. Our findings concerning the existence of the 2P/2O equilibrium

  6. 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…

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Radioactive equilibrium in ancient marine sediments

    USGS Publications Warehouse

    Breger, I.A.

    1955-01-01

    Radioactive equilibrium in eight marine sedimentary formations has been studied by means of direct determinations of uranium, radium and thorium. Alpha-particle counting has also been carried out in order to cross-calibrate thick-source counting techniques. The maximum deviation from radioactive equilibrium that has been noted is 11 per cent-indicating that there is probably equilibrium in all the formations analyzed. Thick-source alpha-particle counting by means of a proportional counter or an ionization chamber leads to high results when the samples contain less than about 10 p.p.m. of uranium. For samples having a higher content of uranium the results are in excellent agreement with each other and with those obtained by direct analytical techniques. The thorium contents that have been obtained correspond well to the average values reported in the literature. The uranium content of marine sediments may be appreciably higher than the average values that have been reported for sedimentary rocks. Data show that there is up to fourteen times the percentage of uranium as of thorium in the formations studied and that the percentage of thorium never exceeds that of uranium. While the proximity of a depositional environment to a land mass may influence the concentration of uranium in a marine sediment, this is not true with thorium. ?? 1955.

  12. 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.

  13. 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.

  14. 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.

  15. Nonequilibrium ionization due to thermal diffusion and mass flows. [in solar atmosphere

    NASA Technical Reports Server (NTRS)

    Roussel-Dupre, R.

    1980-01-01

    Recent calculations of diffusion coefficients are used in the continuity equation to compute ion populations of carbon in the solar transition region. Thermal diffusion causes strong departures from ionization equilibrium in the region where the temperature gradient is steepest. Mass-conserving flows are also included in our calculations. These dominate over thermal diffusion depending on the magnitude of the flows and also lead to departures from ionization equilibrium. These results have important implications for the interpretation of EUV line emission.

  16. Beam cooling with ionization losses

    NASA Astrophysics Data System (ADS)

    Rubbia, C.; Ferrari, A.; Kadi, Y.; Vlachoudis, V.

    2006-12-01

    This novel type of Ionization Cooling is an effective method in order to enhance the (strong) interaction probability of slow (few MeV/A) ions stored in a small ring. The many traversals through a thin target strongly improve the nuclear reaction rate with respect to a single-pass collision, in a steady configuration in which ionization losses of a target "foil" (typically few hundred μg/cm 2 thick) are continuously recovered by an RF-cavity. With a flat foil, betatron oscillations are "cooled", but the momentum spread diverges exponentially, since faster (slower) particles ionize less (more) than the average. In order to "cool" the beam also longitudinally, a chromaticity has to be introduced with a wedge-shaped "foil". Therefore, in equilibrium conditions, multiple scattering and straggling are both balanced by phase-space compression. Classic Ionization Cooling [A.A. Kolomensky, Atomnaya Energiya 19 (1965) 534; Yu.M. Ado, V.I. Balbekov, Atomnaya Energiya 31(1) (1971) 40-44; A.N. Skrinsky, V.V. Parkhomchuk, Sov. J. Nucl. Phys. 12 (1981) 3; E.A. Perevendentsev, A.N. Skrinsky, in: Proceedings of the 12th International Conference on High Energy Acceleration, 1983, p. 485] is designed to cool the direct beam until it has been compressed and extracted for further use. In practice, this limits its applicability to non-interacting muon beams. Instead, in this new method, applicable to strongly interacting collisions, the circulating beam is not extracted. Ionization cooling provides "in situ" storage of the beam until it is converted by a nuclear interaction with the target. Simple reactions—for instance 7Li+D→8Li+p—are more favourably produced in the "mirror" kinematical frame, namely with a heavier ion colliding against a gas-jet D 2 target. Kinematics is generally very favourable, with angles in a narrow angular cone (around ˜10° for the mentioned reaction) and with a relatively concentrated outgoing energy spectrum which allows an efficient collection of 8

  17. 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.

  18. HRTS II EUV observations of a solar ephemeral region

    NASA Technical Reports Server (NTRS)

    Roussel-Dupre, R.; Wrathall, J.; Nicolas, K. R.; Bartoe, J. D. F.; Brueckner, G. E.

    1984-01-01

    HRTS II has been used to observe the EUV emission of a small bipolar magnetic feature or ephemeral region, where strong EUV line enhancement exhibits contrasts (measured relative to the quiet sun) which range from 10 to 70. The substantiality of the Lyman-alpha and C II-O V emission, and the absence of any measurable emission in coronal forbidden lines, sets a temperature range for the loop's active part of the order of 16,000-300,000 K. The use of the ratios of allowed lines as temperature diagnostics yields temperatures that are very near ionization equilibrium temperatures, and the use of chromospheric lines to form a wavelength standard yields absolute velocities ranging in magnitude from zero to 12 km/sec for C IV, N IV, and O V. This flow is interpreted as a siphon flow.

  19. 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.

  20. 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. PMID:27157333

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. Phase equilibrium studies

    SciTech Connect

    Mathias, P.M.; Stein, F.P.

    1983-09-01

    A phase equilibrium model has been developed for the SRC-I process, as well as the other coal liquefaction processes. It is applicable to both vapor/liquid and liquid/liquid equilibria; it also provides an approximate but adequate description of aqueous mixtures where the volatile electrolyte components dissociate to form ionic species. This report completes the description of the model presented in an earlier report (Mathias and Stein, 1983a). Comparisons of the model to previously published data on coal-fluid mixtures are presented. Further, a preliminary analysis of new data on SRC-I coal fluids is presented. Finally, the current capabilities and deficiencies of the model are discussed. 25 references, 17 figures, 30 tables.

  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. Electron ionization of acetylene

    NASA Astrophysics Data System (ADS)

    King, Simon J.; Price, Stephen D.

    2007-11-01

    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+, H2+, C2+, C+/C22+, CH +/C2H22+, CH2+, C2+, and C2H + relative to the formation of C2H2+, as a function of ionizing electron energy from 30-200eV. 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 50eV double ionization contributes 2% to the total ion yield, increasing to over 10% at an ionizing energy of 100eV. 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 C2H22+ dissociates predominantly on the ground triplet potential energy surface (Σg-3) with a much smaller contribution from dissociation via the lowest singlet potential energy surface (Δg1). Measurements of the kinetic energy released in the fragmentation reactions of C2H22+ 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.

  8. Calculating electron beam properties in an ionized benzene channel

    SciTech Connect

    Goosman, D.R.

    1986-08-01

    We have derived formulas for the equilibrium-beam radius and other properties of an electron beam propagating in an ionized benzene channel. These formulas have been determined for two special cases. The first was for Gaussian spatial profiles for both the electron and laser beams. We obtained an analytical result for the equilibrium-beam radius, even though we included both KrF laser-induced and collisional sources of ionization of different sizes. The second case we considered was for laser and electron beams with flat radial profiles. These calculations were performed to determine if a laser-guided electron beam could reduce the focal size of an electron accelerator. We also developed a personal-computer spreadsheet program that receives 10 inputs and calculates 26 dependent quantities relating to the beam and ionization properties.

  9. 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.

  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 Princeton Spectral Equilibrium Code: PSEC

    NASA Astrophysics Data System (ADS)

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

    1985-05-01

    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 ɛ while the fixed-boundary solution is based on a variational principle and spectral representation of the coordinates x(Ψ, θ) and z(Ψ, θ). Specific calculations using the Columbia University Torus II, the Poloidal Divertor Experiment (PDX), and the Tokamak Fusion Test Reactor (TFTR) geometries are performed.

  12. 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.

  13. Napoleon Is in Equilibrium

    PubMed Central

    Phillips, Rob

    2016-01-01

    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. PMID:27429713

  14. Copolymer Crystallization: Approaching Equilibrium

    NASA Astrophysics Data System (ADS)

    Crist, Buckley; Finerman, Terry

    2002-03-01

    Random ethylene-butene copolymers of uniform chemical composition and degree of polymerization are crystallized by evaporation of thin films (1 μ m - 5 μ m) from solution. Macroscopic films ( 100 μm) formed by sequential layer deposition are characterized by density, calorimetry and X-ray techniques. Most notable is the density, which in some cases implies a crystalline fraction nearly 90% of the equilibrium value calculated from Flory theory. Melting temperature of these solution deposited layers is increased by as much as 8 ^oC over Tm for the same polymer crystallized from the melt. Small-angle X-ray scattering indicates that the amorphous layer thickness is strongly reduced by this layered crystallization process. X-ray diffraction shows a pronounced orientation of chain axes and lamellar normals parallel to the normal of the macroscopic film. It is clear that solvent enhances chain mobility, permitting proper sequences to aggregate and crystallize in a manner that is never achieved in the melt.

  15. 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.

  16. 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.

  17. 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).

  18. Diffuse, Warm Ionized Gas

    NASA Astrophysics Data System (ADS)

    Haffner, L. M.

    2002-05-01

    Over the past decade, new high-sensitivity observations have significantly advanced our knowledge of the diffuse, ionized gas in spiral galaxies. This component of the interstellar medium, often referred to as Warm Ionized Medium (WIM) or Diffuse Ionized Gas (DIG), plays an important role in the complex stellar-interstellar matter and energy cycle. In examining the distribution and physical properties of this gas, we learn not only about the conditions of the medium but also about processes providing heating and ionization in the halos of spiral galaxies. For the Milky Way, three new Hα surveys are available providing large sky coverage, arc-minute spatial resolution, and the ability to kinematically resolve this prominent optical emission line. These new, global views show that the Warm Ionized Medium of the Galaxy is ubiquitous as previously suspected, is rich with filamentary structure down to current resolution limits, and can be traced into the halo at large distances from the Galactic plane. Observations of additional optical emission lines are beginning to probe the physical conditions of the WIM. Early results suggest variations in the temperature and ionization state of the gas which are not adequately explained by Lyman continuum stellar photoionization alone. In parallel with this intensive work in the Milky Way have been numerous studies about the diffuse, ionized gas in other spiral galaxies. Here, deep, face-on spiral investigations provide some of the best maps of the global DIG distribution in a galaxy and begin to allow a probe of the local link between star formation and the powering of ionized gas. In addition, ionized gas has been traced out to impressive distances (z > 3 kpc) in edge-on spirals, revealing out large-scale changes in the physical conditions and kinematics of galactic halos.

  19. 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…

  20. Abnormal ionization in sonoluminescence

    NASA Astrophysics Data System (ADS)

    Zhang, Wen-Juan; An, Yu

    2015-04-01

    Sonoluminescence is a complex phenomenon, the mechanism of which remains unclear. The present study reveals that an abnormal ionization process is likely to be present in the sonoluminescing bubble. To fit the experimental data of previous studies, we assume that the ionization energies of the molecules and atoms in the bubble decrease as the gas density increases and that the decrease of the ionization energy reaches about 60%-70% as the bubble flashes, which is difficult to explain by using previous models. Project supported by the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120002110031) and the National Natural Science Foundation of China (Grant No. 11334005).

  1. 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.

  2. Observation of a Cu(II)(2) (μ-1,2-peroxo)/Cu(III)(2) (μ-oxo)(2) equilibrium and its implications for copper-dioxygen reactivity.

    PubMed

    Kieber-Emmons, Matthew T; Ginsbach, Jake W; Wick, Patrick K; Lucas, Heather R; Helton, Matthew E; Lucchese, Baldo; Suzuki, Masatatsu; Zuberbühler, Andreas D; Karlin, Kenneth D; Solomon, Edward I

    2014-05-01

    Synthesis of small-molecule Cu2 O2 adducts has provided insight into the related biological systems and their reactivity patterns including the interconversion of the Cu(II) 2 (μ-η(2) :η(2) -peroxo) and Cu(III) 2 (μ-oxo)2 isomers. In this study, absorption spectroscopy, kinetics, and resonance Raman data show that the oxygenated product of [(BQPA)Cu(I) ](+) initially yields an "end-on peroxo" species, that subsequently converts to the thermodynamically more stable "bis-μ-oxo" isomer (Keq =3.2 at -90 °C). Calibration of density functional theory calculations to these experimental data suggest that the electrophilic reactivity previously ascribed to end-on peroxo species is in fact a result of an accessible bis-μ-oxo isomer, an electrophilic Cu2 O2 isomer in contrast to the nucleophilic reactivity of binuclear Cu(II) end-on peroxo species. This study is the first report of the interconversion of an end-on peroxo to bis-μ-oxo species in transition metal-dioxygen chemistry. PMID:24700427

  3. Equilibrium muscle cross-bridge behavior. Theoretical considerations. II. Model describing the behavior of strongly-binding cross-bridges when both heads of myosin bind to the actin filament.

    PubMed Central

    Schoenberg, M

    1991-01-01

    A model has been developed for characterizing the interaction between strongly-binding myosin cross-bridges and actin in muscle fibers under equilibrium conditions where both heads of the myosin cross-bridge bind to actin. The model, that of Anderson and Schoenberg (1987. Biophys. J. 52:1077-1082) is quite similar to that of Schoenberg (1985. Biophys. J. 48:467-475), except that explicit account is taken of the fact that each crossbridge has two heads which can bind to actin. The key assumption that allows this model to explain a large body of data unexplained by the Schoenberg (1985) model is that the two crossbridge heads are not totally independent of one another after attachment. After the first head attaches, the second head is then free to attach only to an actin site distal to the first head. This means that when the more distally attached head subsequently detaches and reattaches (as the heads continually do), it will not reattach in a position of lesser strain and reduce the force it supports, but instead will remain attached in its strained position until the proximally attached head also detaches. This model gives an explanation for two important and otherwise unexplained observations made previously: it explains why at ionic strengths in the range of 50-120 mM, (a) the rate constant of force decay after a small stretch is a sigmoidal function of nucleotide analogue concentration, and (b) why in the presence of analogues or in rigor the rate constant of force decay after a small stretch is significantly slower than the rate constant for myosin subfragment-1 detachment from actin in solution. PMID:1932554

  4. Computer Assisted Instruction for Equilibrium.

    ERIC Educational Resources Information Center

    Berry, Gifford L.

    1988-01-01

    Describes two computer assisted tutorials, one on acid ionization constants (Ka), and the other on solubility product constants (Ksp). Discusses framework to be used in writing computer assisted instruction programs. Lists topics covered in the programs. (MVL)

  5. "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. PMID:26486514

  6. "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.

  7. "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.

  8. 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.

  9. 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.

  10. 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…

  11. Tuning, ergodicity, equilibrium, and cosmology

    NASA Astrophysics Data System (ADS)

    Albrecht, Andreas

    2015-05-01

    I explore the possibility that the cosmos is fundamentally an equilibrium system and review the attractive features of such theories. Equilibrium cosmologies are commonly thought to fail due to the "Boltzmann brain" problem. I show that it is possible to evade the Boltzmann brain problem if there is a suitable coarse-grained relationship between the fundamental degrees of freedom and the cosmological observables. I make my main points with simple toy models and then review the de Sitter equilibrium model as an illustration.

  12. Understanding thermal equilibrium through activities

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    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 found that students in India have a rather unsatisfactory understanding of thermal equilibrium. We have designed and developed a module of five activities, which are presented in succession to the students. These activities address the students’ alternative conceptions that underlie their lack of understanding of thermal equilibrium and aim at enhancing their understanding of the concept.

  13. 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.

  14. 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)

  15. 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)

  16. 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.

  17. 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.

  18. 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.

  19. Departure of High-temperature Iron Lines from the Equilibrium State in Flaring Solar Plasmas

    NASA Astrophysics Data System (ADS)

    Kawate, T.; Keenan, F. P.; Jess, D. B.

    2016-07-01

    The aim of this study is to clarify if the assumption of ionization equilibrium and a Maxwellian electron energy distribution is valid in flaring solar plasmas. We analyze the 2014 December 20 X1.8 flare, in which the Fe xxi 187 Å, Fe xxii 253 Å, Fe xxiii 263 Å, and Fe xxiv 255 Å emission lines were simultaneously observed by the EUV Imaging Spectrometer on board the Hinode satellite. Intensity ratios among these high-temperature Fe lines are compared and departures from isothermal conditions and ionization equilibrium examined. Temperatures derived from intensity ratios involving these four lines show significant discrepancies at the flare footpoints in the impulsive phase, and at the looptop in the gradual phase. Among these, the temperature derived from the Fe xxii/Fe xxiv intensity ratio is the lowest, which cannot be explained if we assume a Maxwellian electron distribution and ionization equilibrium, even in the case of a multithermal structure. This result suggests that the assumption of ionization equilibrium and/or a Maxwellian electron energy distribution can be violated in evaporating solar plasma around 10 MK.

  20. 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....

  1. THE ESCAPE FRACTION OF IONIZING RADIATION FROM GALAXIES

    SciTech Connect

    Benson, Andrew; Venkatesan, Aparna; Shull, J. Michael E-mail: avenkatesan@usfca.edu

    2013-06-10

    The escape of ionizing radiation from galaxies plays a critical role in the evolution of gas in galaxies, and the heating and ionization history of the intergalactic medium. We present semi-analytic calculations of the escape fraction of ionizing radiation for both hydrogen and helium from galaxies ranging from primordial systems to disk-type galaxies that are not heavily dust-obscured. We consider variations in the galaxy density profile, source type, location, and spectrum, and gas overdensity/distribution factors. For sufficiently hard first-light sources, the helium ionization fronts closely track or advance beyond that of hydrogen. Key new results in this work include calculations of the escape fractions for He I and He II ionizing radiation, and the impact of partial ionization from X-rays from early active galactic nuclei or stellar clusters on the escape fractions from galaxy halos. When factoring in frequency-dependent effects, we find that X-rays play an important role in boosting the escape fractions for both hydrogen and helium, but especially for He II. We briefly discuss the implications of these results for recent observations of the He II reionization epoch at low redshifts, as well as the UV data and emission-line signatures from early galaxies anticipated from future satellite missions.

  2. 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

  3. 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

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

    NASA Astrophysics Data System (ADS)

    Mansfield, Marc L.; Douglas, Jack F.

    2013-07-01

    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

  5. Equilibrium slab models of Lyman-alpha clouds

    NASA Technical Reports Server (NTRS)

    Charlton, Jane C.; Salpeter, Edwin E.; Hogan, Craig J.

    1993-01-01

    Solutions for the equilibrium configuration of a slab with ionizing radiation incident equally from both sides are explored. Radiation effects (photoionization, Ly-alpha photon trapping, and mock gravity) as well as external pressure and self gravity (with and without dark matter) are included. The general formalism is applied to structure growth on small scales at very high z due to mock gravity on dust. Emphasis is placed on the application of slab models at z of less than 5, particularly those that may correspond to Ly-alpha forest, Lyman limit, and damped Ly-alpha systems. The regime with a dominant outward force contributed by trapping of Ly-alpha photons is discussed. General expressions are given for the equilibrium, including dark matter, assuming various relationships between the density of the dark matter halo and the total gas column density.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Time-dependence Effects in Photospheric-Phase Type II Supernova Spectra

    NASA Astrophysics Data System (ADS)

    Dessart, Luc; Hillier, D. John

    2007-08-01

    We have incorporated time-dependent terms into the statistical and radiative equilibrium calculations of the non-LTE line-blanketed radiative transfer code CMFGEN. To illustrate the significant improvements in spectral fitting achieved for photospheric phase Type II SN, and to document the effects associated with time dependence, we model the outer 6.1 Msolar of ejecta of a BSG/RSG progenitor star. Hopping by 3-day increments, we compute the UV to near-IR spectral evolution for both continuum and lines, from the fully ionized conditions at one week to the partially recombined conditions at 6 weeks after the explosion. We confirm the importance of allowing for time-dependence in the modeling of Type-II SN, as recently discussed by Utrobin & Chugai for SN1987A. However unlike Utrobin & Chugai, who treated the radiation field in a core-halo approximation and assumed the Sobolev approximation for line formation, we allow for the full interaction between the radiation field and level populations, and study the effects on the full spectrum. At the hydrogen-recombination epoch, HI lines and NaD are considerably stronger and broader than in equivalent steady-state models, while CaII is weakened. Former successes of steady-state CMFGEN models are unaffected, while former discrepancies are cured. Time dependence affects all lines, while the continuum, from the UV to the optical, changes only moderately. We identify two key effects: First, time dependence together with the energy gain through changes in ionization and excitation lead to an over-ionization in the vicinity of the photosphere, dramatically affecting line optical depths and profiles. Second, the ionization is frozen-in at large radii/velocities. This stems solely from the time-scale contrast between recombination and expansion and will occur, modulo non-thermal excitation effects, in all SN types. The importance of this effect on spectral analyses, across SN types and epochs, remains to be determined.

  12. The effect of electron temperature and impact ionization on Martian return AOTV flowfields

    NASA Astrophysics Data System (ADS)

    Carlson, Leland A.; Gally, Thomas A.

    1989-06-01

    Various electron impact ionization models in conjunction with a quasi-equilibrium electron temperature model have been investigated and applied to the stagnation region of a hypothetical 2.3 m nose radius Martian return AOTV. For the conditions considered, U = 12 km/sec at 80 km, both multi-temperature inviscid and viscous results indicate that a two-step ionization impact model predicts ionization distances in agreement with experimental data, that nonequilibrium chemistry and radiation effects are important throughout the stagnation zone, and that the quasi-equilibrium electron temperature model is reasonable. Also, using a non-grey emission-absorption radiation step model, it is shown that nonequilibrium causes a reduction in radiative heating from that predicted for equilibrium conditions and that compared to an adiabatic wall a cool wall (1650 deg K) results in a 28 to 45 percent reduction in radiative heating due to absorption near the wall.

  13. HIGHLY IONIZED PLASMA IN THE HALO OF A LUMINOUS SPIRAL GALAXY NEAR z = 0.225

    SciTech Connect

    Narayanan, Anand; Savage, Blair D.; Wakker, Bart P. E-mail: savage@astro.wisc.ed

    2010-04-01

    We present analyses of the physical conditions in the z(O{sub VI})=0.22496 and z(O{sub VI})=0.22638 multiphase absorption systems detected in the ultraviolet Hubble Space Telescope/STIS and FUSE spectra of the quasar H 1821+643 (m{sub V} = 14.2, z{sub em} = 0.297). Both absorbers are likely associated with the extended halo of a {approx}2L*{sub B} Sbc-Sc galaxy situated at a projected distance of {approx}116 h {sup -1}{sub 71} kpc from the sight line. The z = 0.22496 absorber is detected in C II, C III, C IV, O III, O VI, Si II, Si III, and H I (Ly alpha-Lytheta) at >3sigma significance. The components of Si III and Si II are narrow with implied temperatures of T {approx}< 3 x 10{sup 4} K. The low and intermediate ions in this absorber are consistent with an origin in a T {approx} 10{sup 4} K photoionized gas with [Si/H] and [C/H] of {approx}-0.6 dex. In contrast, the broader O VI absorption is likely produced in collisionally ionized plasma under nonequilibrium conditions. The z(O{sub VI})=0.22638 system has broad Ly alpha (BLA) and C III absorption offset by v = -53 km s{sup -1} from O VI. The H I and C III line widths for the BLA imply T = 1.1 x 10{sup 5} K. For non-equilibrium cooling we obtain [C/H] {approx}-1.5 dex and N(H) = 3.2 x 10{sup 18} cm{sup -2} in the BLA. The O VI, offset from the BLA with no detected H I or C III, is likely collisionally ionized at T {approx} 3 x 10{sup 5} K. From the observed multiphase properties and the proximity to a luminous galaxy, we propose that the z = 0.22496 absorber is an extragalactic analog of a highly ionized Galactic HVC, in which the O VI is produced in transition temperature plasma (T {approx} 10{sup 5} K) at the interface layers between the warm (T < 5 x 10{sup 4} K) HVC gas phase and the hot (T {approx}> 10{sup 6} K) coronal halo of the galaxy. The z = 0.22638 O VI-BLA absorber could be tracing a cooling condensing fragment in the nearby galaxy's hot gaseous halo.

  14. 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.

  15. 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

  16. New Constraints on the Escape of Ionizing Photons from Starburst Galaxies Using Ionization-parameter Mapping

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    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 (gsim3 Myr) for mechanical feedback to have cleared optically thin passageways in the interstellar medium, but young enough (lsim5 Myr) that the ionizing stars are still present.

  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. 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.

  20. Phase coexistence far from equilibrium

    NASA Astrophysics Data System (ADS)

    Dickman, Ronald

    2016-04-01

    Investigation of simple far-from-equilibrium systems exhibiting phase separation leads to the conclusion that phase coexistence is not well defined in this context. This is because the properties of the coexisting nonequilibrium systems depend on how they are placed in contact, as verified in the driven lattice gas with attractive interactions, and in the two-temperature lattice gas, under (a) weak global exchange between uniform systems, and (b) phase-separated (nonuniform) systems. Thus, far from equilibrium, the notions of universality of phase coexistence (i.e., independence of how systems exchange particles and/or energy), and of phases with intrinsic properties (independent of their environment) are lost.

  1. Toroidal plasma equilibrium with gravity

    SciTech Connect

    Yoshikawa, S.

    1980-09-01

    Toroidal magnetic field configuration in a gravitational field is calculated both from a simple force-balance and from the calculation using magnetic surfaces. The configuration is found which is positionally stable in a star. The vibrational frequency near the equilibrium point is proportional to the hydrostatic frequency of a star multiplied by the ratio (W/sub B//W/sub M/)/sup 1/2/ where W/sub B/ is the magnetic field energy density, and W/sub M/ is the material pressure at the equilibrium point. It is proposed that this frequency may account for the observed solar spot cycles.

  2. 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

  3. 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.

  4. Dynamics of pre-ionized fast capillary discharge

    NASA Astrophysics Data System (ADS)

    Hübner, J.; Vrba, P.; Straus, J.; Jancarek, A.; Nevrkla, M.

    2014-05-01

    The goal of this work is to determine the best conditions for pre-ionization of the nitrogen filled capillary plasma column applying an external exponentially damped or high-frequency alternating current. As we supposed, optimal pre-ionization conditions are achieved when the plasma is quiescent, motionless and isothermal, near the local thermodynamical equilibrium. At the time of optimal conditions for the pre-ionization plasma column, the main pulse is applied. This approach enables us to estimate the influence of such prepared plasma on the value of emitted energy during the main current pulse. For modeling of plasma during the pre-pulse and main pulse, the magneto-hydro-dynamics (MHD) NPINCH code [1] and the radiative-MHD Z* code [2] were used. The computer results are used for further improvement of x-ray-ultraviolet-capillary sources designed in IPP ASCR and CTU FNSPE laboratories in Prague.

  5. A numerical scheme for ionizing shock waves

    SciTech Connect

    Aslan, Necdet . E-mail: naslan@yeditepe.edu.tr; Mond, Michael

    2005-12-10

    A two-dimensional (2D) visual computer code to solve the steady state (SS) or transient shock problems including partially ionizing plasma is presented. Since the flows considered are hypersonic and the resulting temperatures are high, the plasma is partially ionized. Hence the plasma constituents are electrons, ions and neutral atoms. It is assumed that all the above species are in thermal equilibrium, namely, that they all have the same temperature. The ionization degree is calculated from Saha equation as a function of electron density and pressure by means of a nonlinear Newton type root finding algorithms. The code utilizes a wave model and numerical fluctuation distribution (FD) scheme that runs on structured or unstructured triangular meshes. This scheme is based on evaluating the mesh averaged fluctuations arising from a number of waves and distributing them to the nodes of these meshes in an upwind manner. The physical properties (directions, strengths, etc.) of these wave patterns are obtained by a new wave model: ION-A developed from the eigen-system of the flux Jacobian matrices. Since the equation of state (EOS) which is used to close up the conservation laws includes electronic effects, it is a nonlinear function and it must be inverted by iterations to determine the ionization degree as a function of density and temperature. For the time advancement, the scheme utilizes a multi-stage Runge-Kutta (RK) algorithm with time steps carefully evaluated from the maximum possible propagation speed in the solution domain. The code runs interactively with the user and allows to create different meshes to use different initial and boundary conditions and to see changes of desired physical quantities in the form of color and vector graphics. The details of the visual properties of the code has been published before (see [N. Aslan, A visual fluctuation splitting scheme for magneto-hydrodynamics with a new sonic fix and Euler limit, J. Comput. Phys. 197 (2004) 1

  6. 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.…

  7. Invariant criteria for bound states, degree of ionization, and plasma phase transition

    NASA Technical Reports Server (NTRS)

    Girardeau, M. D.

    1990-01-01

    Basis invariant characterizations of bound states and bound fraction of a partially ionized hydrogen plasma are given in terms of properties of the spectrum of eigenvalues and eigenfunctions of the equilibrium quantum statistical one-proton-one-electron reduced density matrix. It is suggested that these can be used to place theories of a proposed plasma-ionization phase transition on a firm foundation. This general approach may be relevant to cosmological questions such as the quark deconfinement-confinement transition.

  8. On the preservation of non-covalent protein complexes during electrospray ionization.

    PubMed

    Chingin, Konstantin; Barylyuk, Konstantin; Chen, Huanwen

    2016-10-28

    The application range of electrospray ionization mass spectrometry for the quantitative determination of stoichiometries and binding constants for non-covalent protein complexes is broadly discussed. The underlying fundamental question is whether or not the original molecular equilibrium can be preserved during the ionization process and be revealed by subsequent mass spectrometry analysis. Here, we take a new look at this question by discussing recent studies in droplet chemistry.This article is part of the themed issue 'Quantitative mass spectrometry'. PMID:27644969

  9. Measurement of L-shell electron-impact ionization cross sections for highly charged uranium ions

    SciTech Connect

    Stoehlker, T.; Kraemer, A. |; Elliott, S.R.; Marrs, R.E.; Scofield, J.H.

    1997-10-01

    L-shell electron-impact ionization cross sections for highly charged uranium ions from fluorinelike U{sup 83+} through lithiumlike U{sup 89+} have been measured at 45-, 60-, and 75-keV electron energy. The cross sections were obtained from x-ray measurements of the equilibrium ionization balance in an electron beam ion trap. The measured cross sections agree with recent relativistic distorted wave calculations. {copyright} {ital 1997} {ital The American Physical Society}

  10. Measurement of electron-impact ionization cross sections for hydrogenlike high-Z ions

    SciTech Connect

    Marrs, R.E.; Elliott, S.R.; Scofield, J.H.

    1997-08-01

    Electron-impact ionization cross sections have been measured for the hydrogenlike ions of molybdenum, dysprosium, gold, and bismuth at selected electron energies between 1.3 and 3.9 times threshold. The cross sections were obtained from x-ray measurements of the equilibrium ionization balance in an electron beam ion trap. The measured cross sections agree with recent relativistic distorted-wave calculations that include both the Moeller interaction and exchange. {copyright} {ital 1997} {ital The American Physical Society}

  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. 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…

  13. An investigation of equilibrium concepts

    NASA Technical Reports Server (NTRS)

    Prozan, R. J.

    1982-01-01

    A different approach to modeling of the thermochemistry of rocket engine combustion phenomena is presented. The methodology described is based on the hypothesis of a new variational principle applicable to compressible fluid mechanics. This hypothesis is extended to treat the thermochemical behavior of a reacting (equilibrium) gas in an open system.

  14. 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.

  15. Tevatron ionization profile monitoring

    SciTech Connect

    Jansson, A.; Bowie, K.; Fitzpatrick, T.; Kwarciany, R.; Lundberg, C.; Slimmer, D.; Valerio, L.; Zagel, J.; /Fermilab

    2006-06-01

    Ionization Profile monitors have been used in almost all machines at Fermilab. However, the Tevatron presents some particular challenges with its two counter-rotating, small beams, and stringent vacuum requirements. In order to obtain adequate beam size accuracy with the small signals available, custom made electronics from particle physics experiments was employed. This provides a fast (single bunch) and dead-timeless charge integration with a sensitivity in the femto-Coulomb range, bringing the system close to the single ionization electron detection threshold. The detector itself is based on a previous Main Injector prototype, albeit with many modifications and improvements. The first detector was installed at the end of 2005, and the second detector during the spring shutdown. The ultimate goal is to continuously monitor beam size oscillations at injection, as well as the beam size evolution during ramp and squeeze. Initial results are very encouraging.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. Dissociative ionization of biomolecules

    NASA Astrophysics Data System (ADS)

    Huo, Winifred

    2004-09-01

    Dissociative ionization (DI) by electron impact plays a role in many different applications, including low-temperature plasma processing, the study of space and astrophysical plasmas, and the study of biological damages by high-energy radiation. In the present study, our goal is to understand the health hazard to humans from exposure to radiation during an extended space flight. DI by secondary electrons can damage the DNA, either directly by causing a DNA lesion, or indirectly by producing radicals and cations that attack the DNA. The theoretical model employed makes use of the fact that electronic motion is much faster than nuclear motion, allowing DI to be treated as a two-step process. The first step is electron-impact ionization resulting in a dissociative state of the molecular ion with the same geometry as the neutral molecule. In the second step the ion relaxes from the initial geometry and undergoes unimolecular dissociation. Thus the DI cross section is given by the product of the ionization cross section and the dissociation probability. For the ionization process we use the improved binary-encounter dipole (iBED) model. For unimolecular dissociation, we use the multiconfigurational self-consistent field (MCSCF) method to determine the minimum energy pathways to possible product channels. This model has been applied to study the DI of H_2O, NH_3, and CH_4, and the results are in good agreement with experiment. The DI from the low-lying channels of benzene has also been studied and the dissociation products are compared with photoionization measurements. The DI of the DNA bases guanine and cytosine are then discussed. Of the four DNA bases, guanine has the largest ionization cross section and cytosine has the smallest. The guanine radical cation is considered to be one of the precursors to the primary, direct-type lesions formed in DNA when it is irradiated. Comparison of DI products of guanine and cytosine will be made to understand the differences in

  3. 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.

  4. Effect of transition metal binding on the tautomeric equilibrium of the carnosine imidazolic ring

    NASA Astrophysics Data System (ADS)

    Torreggiani, A.; Fini, G.; Bottura, G.

    2001-05-01

    A Raman study of carnosine (Carn) and its complexes with Cu(II), Zn(II) and Co(II) at different pH values was carried out. At pH 7 and 9, Carn exists in equilibrium between two tautomeric forms. Raman spectroscopy appears to be a useful tool for analysing the tautomeric equilibrium of the imidazole ring of Carn since the sites involved in metal chelation can be identified by some bands (e.g. νC4C5) that change in wavenumber depending on whether the imidazole ring takes the tautomeric form I or II. Form I (N π-H) is predominant in the free ligand, but the metal coordination can affect the tautomeric equilibrium. Although weak compared to those of aromatic residues, the Raman marker bands may be useful in analysing metal-histidine interaction in proteins.

  5. Phonon Mapping in Flowing Equilibrium

    NASA Astrophysics Data System (ADS)

    Ruff, J. P. C.

    2015-03-01

    When a material conducts heat, a modification of the phonon population occurs. The equilibrium Bose-Einstein distribution is perturbed towards flowing-equilibrium, for which the distribution function is not analytically known. Here I argue that the altered phonon population can be efficiently mapped over broad regions of reciprocal space, via diffuse x-ray scattering or time-of-flight neutron scattering, while a thermal gradient is applied across a single crystal sample. When compared to traditional transport measurements, this technique offers a superior, information-rich new perspective on lattice thermal conductivity, wherein the band and momentum dependences of the phonon thermal current are directly resolved. The proposed method is benchmarked using x-ray thermal diffuse scattering measurements of single crystal diamond under transport conditions. CHESS is supported by the NSF & NIH/NIGMS via NSF Award DMR-1332208.

  6. Non-equilibrium calcium ionisation in the solar atmosphere

    NASA Astrophysics Data System (ADS)

    Wedemeyer-Böhm, S.; Carlsson, M.

    2011-04-01

    Context. The chromosphere of the Sun is a temporally and spatially very varying medium for which the assumption of ionisation equilibrium is questionable. Aims: Our aim is to determine the dominant processes and timescales for the ionisation equilibrium of calcium under solar chromospheric conditions. Methods: The study is based on numerical simulations with the RADYN code, which combines hydrodynamics with a detailed solution of the radiative transfer equation. The calculations include a detailed non-equilibrium treatment of hydrogen, calcium, and helium. Next to an hour long simulation sequence, additional simulations are produced, for which the stratification is slightly perturbed so that a ionisation relaxation timescale can be determined. The simulations are characterised by upwards propagating shock waves, which cause strong temperature fluctuations and variations of the (non-equilibrium) ionisation degree of calcium. Results: The passage of a hot shock front leads to a strong net ionisation of Ca II, rapidly followed by net recombination. The relaxation timescale of the calcium ionisation state is found to be of the order of a few seconds at the top of the photosphere and 10 to 30 s in the upper chromosphere. At heights around 1 Mm, we find typical values around 60 s and in extreme cases up to ~150 s. Generally, the timescales are significantly reduced in the wakes of ubiquitous hot shock fronts. The timescales can be reliably determined from a simple analysis of the eigenvalues of the transition rate matrix. The timescales are dominated by the radiative recombination from Ca III into the metastable Ca II energy levels of the 4d 2D term. These transitions depend strongly on the density of free electrons and therefore on the (non-equilibrium) ionisation degree of hydrogen, which is the main electron donor. Conclusions: The ionisation/recombination timescales derived here are too long for the assumption of an instantaneous ionisation equilibrium to be valid

  7. Punctuated equilibrium comes of age

    NASA Astrophysics Data System (ADS)

    Gould, Stephan Jay; Eldredge, Niles

    1993-11-01

    The intense controversies that surrounded the youth of punctuated equilibrium have helped it mature to a useful extension of evolutionary theory. As a complement to phyletic gradualism, its most important implications remain the recognition of stasis as a meaningful and predominant pattern within the history of species, and in the recasting of macroevolution as the differential success of certain species (and their descendants) within clades.

  8. Thermodynamic equilibrium at heterogeneous pressure

    NASA Astrophysics Data System (ADS)

    Vrijmoed, J. C.; Podladchikov, Y. Y.

    2015-07-01

    Recent advances in metamorphic petrology point out the importance of grain-scale pressure variations in high-temperature metamorphic rocks. Pressure derived from chemical zonation using unconventional geobarometry based on equal chemical potentials fits mechanically feasible pressure variations. Here, a thermodynamic equilibrium method is presented that predicts chemical zoning as a result of pressure variations by Gibbs energy minimization. Equilibrium thermodynamic prediction of the chemical zoning in the case of pressure heterogeneity is done by constrained Gibbs minimization using linear programming techniques. In addition to constraining the system composition, a certain proportion of the system is constrained at a specified pressure. Input pressure variations need to be discretized, and each discrete pressure defines an additional constraint for the minimization. The Gibbs minimization method provides identical results to a geobarometry approach based on chemical potentials, thus validating the inferred pressure gradient. The thermodynamic consistency of the calculation is supported by the similar result obtained from two different approaches. In addition, the method can be used for multi-component, multi-phase systems of which several applications are given. A good fit to natural observations in multi-phase, multi-component systems demonstrates the possibility to explain phase assemblages and zoning by spatial pressure variations at equilibrium as an alternative to pressure variation in time due to disequilibrium.

  9. Long-term equilibrium tides

    NASA Astrophysics Data System (ADS)

    Shaffer, John A.; Cerveny, Randall S.

    1998-08-01

    Extreme equilibrium tides, or ``hypertides,'' are computed in a new equilibrium tidal model combining algorithms of a version of the Chapront ELP-2000/82 Lunar Theory with the BER78 Milankovitch astronomical expansions. For the recent past, a high correspondence exists between computed semidiurnal tide levels and a record of coastal flooding demonstrating that astronomical alignment is a potential influence on such flooding. For the Holocene and near future, maximum tides demonstrate cyclic variations with peaks at near 5000 B.P. and 4000 A.P. On the late Quaternary timescale, variations in maximum equilibrium tide level display oscillations with periods of approximately 10,000, 100,000 and 400,000 years, because of precessional shifts in tidal maxima between vernal and autumnal equinoxes. While flooding occurs under the combined effects of tides and storms via ``storm surges,'' the most extensive flooding will occur with the coincidence of storms and the rarer hypertides and is thus primarily influenced by hypertides. Therefore we suggest that astronomical alignment's relationship to coastal flooding is probabilistic rather than deterministic. Data derived from this model are applicable to (1) archaeological and paleoclimatic coastal reconstructions, (2) long-term planning, for example, radioactive waste site selection, (3) sealevel change and paleoestuarine studies or (4) ocean-meteorological interactions.

  10. 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.

  11. Equilibrium and kinetics in metamorphism

    NASA Astrophysics Data System (ADS)

    Pattison, D. R.

    2012-12-01

    The equilibrium model for metamorphism is founded on the metamorphic facies principle, the repeated association of the same mineral assemblages in rocks of different bulk composition that have been metamorphosed together. Yet, for any metamorphic process to occur, there must be some degree of reaction overstepping (disequilibrium) to initiate reaction. The magnitude and variability of overstepping, and the degree to which it is either a relatively minor wrinkle or a more substantive challenge to the interpretation of metamorphic rocks using the equilibrium model, is an active area of current research. Kinetic barriers to reaction generally diminish with rising temperature due to the Arrhenius relation. In contrast, the rate of build-up of the macroscopic energetic driving force needed to overcome kinetic barriers to reaction, reaction affinity, does not vary uniformly with temperature, instead varying from reaction to reaction. High-entropy reactions that release large quantities of H2O build up reaction affinity more rapidly than low-entropy reactions that release little or no H2O, such that the former are expected to be overstepped less than the latter. Some consequences include: (1) metamorphic reaction intervals may be discrete rather than continuous, initiating at the point that sufficient reaction affinity has built up to overcome kinetic barriers; (2) metamorphic reaction intervals may not correspond in a simple way to reaction boundaries in an equilibrium phase diagram; (3) metamorphic reactions may involve metastable reactions; (4) metamorphic 'cascades' are possible, in which stable and metastable reactions involving the same reactant phases may proceed simultaneously; and (5) fluid generation, and possibly fluid presence in general, may be episodic rather than continuous, corresponding to discrete intervals of reaction. These considerations bear on the interpretation of P-T-t paths from metamorphic mineral assemblages and textures. The success of the

  12. Engineered Ionizable Side Chains.

    PubMed

    Cymes, Gisela D; Grosman, Claudio

    2015-01-01

    One of the great challenges of mechanistic ion-channel biology is to obtain structural information from well-defined functional states. In the case of neurotransmitter-gated ion channels, the open-channel conformation is particularly elusive owing to its transient nature and brief mean lifetime. In this Chapter, we show how the analysis of single-channel currents recorded from mutants engineered to contain single ionizable side chains in the transmembrane region can provide specific information about the open-channel conformation without any interference from the closed or desensitized conformations. The method takes advantage of the fact that the alternate binding and unbinding of protons to and from an ionizable side chain causes the charge of the protein to fluctuate by 1 unit. We show that, in mutant muscle acetylcholine nicotinic receptors (AChRs), this fluctuating charge affects the rate of ion conduction in such a way that individual proton-transfer events can be identified in a most straightforward manner. From the extent to which the single-channel current amplitude is reduced every time a proton binds, we can learn about the proximity of the engineered side chain to the lumen of the pore. And from the kinetics of proton binding and unbinding, we can calculate the side-chain's affinity for protons (pK a), and hence, we can learn about the electrostatic properties of the microenvironment around the introduced ionizable group. The application of this method to systematically mutated AChRs allowed us to identify unambiguously the stripes of the M1, M2 and M3 transmembrane α-helices that face the pore's lumen in the open-channel conformation in the context of a native membrane. PMID:26381938

  13. 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.

  14. 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.

  15. Hydraulic effects in a radiative atmosphere with ionization

    NASA Astrophysics Data System (ADS)

    Bhat, P.; Brandenburg, A.

    2016-03-01

    Context. In his 1978 paper, Eugene Parker postulated the need for hydraulic downward motion to explain magnetic flux concentrations at the solar surface. A similar process has also recently been seen in simplified (e.g., isothermal) models of flux concentrations from the negative effective magnetic pressure instability (NEMPI). Aims: We study the effects of partial ionization near the radiative surface on the formation of these magnetic flux concentrations. Methods: We first obtain one-dimensional (1D) equilibrium solutions using either a Kramers-like opacity or the H- opacity. The resulting atmospheres are then used as initial conditions in two-dimensional (2D) models where flows are driven by an imposed gradient force that resembles a localized negative pressure in the form of a blob. To isolate the effects of partial ionization and radiation, we ignore turbulence and convection. Results: Because of partial ionization, an unstable stratification always forms near the surface. We show that the extrema in the specific entropy profiles correspond to the extrema in the degree of ionization. In the 2D models without partial ionization, strong flux concentrations form just above the height where the blob is placed. Interestingly, in models with partial ionization, such flux concentrations always form at the surface well above the blob. This is due to the corresponding negative gradient in specific entropy. Owing to the absence of turbulence, the downflows reach transonic speeds. Conclusions: We demonstrate that, together with density stratification, the imposed source of negative pressure drives the formation of flux concentrations. We find that the inclusion of partial ionization affects the entropy profile dramatically, causing strong flux concentrations to form closer to the surface. We speculate that turbulence effects are needed to limit the strength of flux concentrations and homogenize the specific entropy to a stratification that is close to marginal.

  16. Ionization of polarized hydrogen atoms

    SciTech Connect

    Alessi, J.G.

    1983-01-01

    Methods are discussed for the production of polarized H/sup -/ ions from polarized atoms produced in ground state atomic beam sources. Present day sources use ionizers of two basic types - electron ionizers for H/sup +/ Vector production followed by double charge exchange in a vapor, or direct H/sup -/ Vector production by charge exchange of H/sup 0/ with Cs/sup 0/. Both methods have ionization efficiencies of less than 0.5%. Ionization efficiencies in excess of 10% may be obtained in the future by the use of a plasma ionizer plus charge exchange in Cs or Sr vapor, or ionization by resonant charge exchange with a self-extracted D/sup -/ beam from a ring magnetron or HCD source. 36 references, 4 figures.

  17. 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.

  18. Collisional energy transfer probabilities of highly excited molecules from kinetically controlled selective ionization (KCSI). II. The collisional relaxation of toluene: P(E',E) and moments of energy transfer for energies up to 50 000 cm-1

    NASA Astrophysics Data System (ADS)

    Lenzer, Thomas; Luther, Klaus; Reihs, Karsten; Symonds, Andrew C.

    2000-03-01

    Complete and detailed experimental transition probability density functions P(E',E) have been determined for the first time for collisions between a large, highly vibrationally excited molecule, toluene, and several bath gases. This was achieved by applying the method of kinetically controlled selective ionization (KCSI) (Paper I [J. Chem. Phys. 112, 4076 (2000), preceding article]). An optimum P(E',E) representation is recommended (monoexponential with a parametric exponent in the argument) which uses only three parameters and features a smooth behavior of all parameters for the entire set of bath gases. In helium, argon, and CO2 the P(E',E) show relatively increased amplitudes in the wings—large energy gaps |E'-E|—which can also be represented by a biexponential form. The fractional contribution of the second exponent in these biexponentials, which is directly related to the fraction of the so-called "supercollisions," is found to be very small (<0.1%). For larger colliders the second term disappears completely and the wings of P(E',E) have an even smaller amplitude than that provided by a monoexponential form. At such low levels, the second exponent is therefore of practically no relevance for the overall energy relaxation rate. All optimized P(E',E) representations show a marked linear energetic dependence of the (weak) collision parameter α1(E), which also results in an (approximately) linear dependence of <ΔE> and of the square root of <ΔE2>. The energy transfer parameters presented in this study form a new benchmark class in certainty and accuracy, e.g., with only 2%-7% uncertainty for our <ΔE> data below 25 000 cm-1. They should also form a reliable testground for future trajectory calculations and theories describing collisional energy transfer of polyatomic molecules.

  19. Ar II Emission Processes and Emission Rate Coefficients in ASTRAL Helicon Plasmas

    NASA Astrophysics Data System (ADS)

    Boivin, R. F.; Gardner, A.; Kamar, O.; Kesterson, A.; Loch, S.; Munoz, J.; Ballance, C.

    2008-11-01

    Emission processes for Ar II line emission are described for low temperature plasmas (Te < 10 eV). It is found that Ar II emission results primarily from Ar ion ground state excitation rather than from any Ar neutral state. This suggests that Ar II emission results from stepping processes which includes ionization and then excitation of the neutral Ar atom filling the vacuum chamber. The Ar II emission rate coefficients are measured in the ASTRAL helicon plasma source using a 0.33 m monochromator and a CCD camera. ASTRAL produces Ar plasmas with the following parameters: ne = 1E11 -- 1E13 cm-3 and Te = 2 - 10 eV, B-field <= 1.3 kGauss, rf power <= 2 kWatt. RF compensated Langmuir probes are used to measure Te and ne. In this experiment, Ar II transitions are monitored as a function of Te while ne is kept constant. Experimental emission rates are obtained as a function of Te and compared to theoretical predictions. Theoretical predictions make use of the ADAS suite of codes as well as recent R-matrix electron-impact excitation calculations that includes pseudo-states contributions. Our collisional-radiative formalism assumes that the excited levels are in quasi-static equilibrium with the ground and metastable populations.

  20. 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.

  1. 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.

  2. Nonsequential double ionization of molecules

    SciTech Connect

    Prauzner-Bechcicki, Jakub S.; Sacha, Krzysztof; Zakrzewski, Jakub; Eckhardt, Bruno

    2005-03-01

    Double ionization of diatomic molecules by short linearly polarized laser pulses is analyzed. We consider the final stage of the ionization process, that is the decay of a highly excited two electron molecule, which is formed after rescattering. The saddles of the effective adiabatic potential energy close to which simultaneous escape of electrons takes place are identified. Numerical simulations of the ionization of molecules show that the process can be dominated by either sequential or nonsequential events. In order to increase the ratio of nonsequential to sequential ionizations very short laser pulses should be applied.

  3. 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.

  4. 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.

  5. Equilibrium figures of dwarf planets

    NASA Astrophysics Data System (ADS)

    Rambaux, Nicolas; Chambat, Frederic; Castillo-Rogez, Julie; Baguet, Daniel

    2016-10-01

    Dwarf planets including transneptunian objects (TNO) and Ceres are >500 km large and display a spheroidal shape. These protoplanets are left over from the formation of the solar System about 4.6 billion years ago and their study could improve our knowledge of the early solar system. They could be formed in-situ or migrated to their current positions as a consequence of large-scale solar system dynamical evolution. Quantifying their internal composition would bring constraints on their accretion environment and migration history. That information may be inferred from studying their global shapes from stellar occultations or thermal infrared imaging. Here we model the equilibrium shapes of isolated dwarf planets under the assumption of hydrostatic equilibrium that forms the basis for interpreting shape data in terms of interior structure. Deviations from hydrostaticity can shed light on the thermal and geophysical history of the bodies. The dwarf planets are generally fast rotators spinning in few hours, so their shape modeling requires numerically integration with Clairaut's equations of rotational equilibrium expanded up to third order in a small parameter m, the geodetic parameter, to reach an accuracy better than a few kilometers depending on the spin velocity and mean density. We also show that the difference between a 500-km radius homogeneous model described by a MacLaurin ellipsoid and a stratified model assuming silicate and ice layers can reach several kilometers in the long and short axes, which could be measurable. This type of modeling will be instrumental in assessing hydrostaticity and thus detecting large non-hydrostatic contributions in the observed shapes.

  6. 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.

  7. 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.

  8. 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.

  9. Multiphoton ionization studies of clusters of immiscible liquids. II. C6H6- (H2O)n, n=3-8 and (C6H6)2- (H2O)1,2

    NASA Astrophysics Data System (ADS)

    Garrett, Aaron W.; Zwier, Timothy S.

    1992-03-01

    Resonant two-photon ionization (R2PI) time-of-flight mass spectroscopy is used to record S0-S1 spectra of the neutral complexes C6H6-(H2O)n with n=3-8 and (C6H6)2-(H2O)1,2. Due to limitations imposed by the size of these clusters, a number of vibronic level arguments are used to constrain the gross features of the geometries of these clusters. Among the spectral clues provided by the data are the frequency shifts of the transitions, their van der Waals structure, the fragmentation of the photoionized clusters, and the complexation-induced origin intensity and 610 splitting. In the 1:3 cluster, simple arguments are made based on the known structures of the 1:1 and 1:2 clusters which lead to the conclusion that all three water molecules reside on the same side of the benzene ring. Three structures for the 1:3 cluster are proposed which are consistent with the available data. Of these, only one is also consistent with the remarkable similarity of the 1:4 and 1:5 spectra to those of the 1:3 cluster. This structure involves a cyclic water trimer in which one of the water molecules is near the sixfold axis in a π hydrogen-bonded configuration. This structure is then expanded in the 1:4 and 1:5 clusters to incorporate the fourth and fifth water molecules in cyclic structures which place the additional water molecules far from the benzene ring without disturbing the interaction of the other water molecules with the benzene ring. For 1:n clusters with n≥6, subtle and then significant changes are observed in the spectra which indicate changes in the way the water cluster interacts with the benzene ring. This development occurs at precisely the water cluster size which calculations predict that cagelike water cluster structures will begin to compete and eventually be favored over large cyclic structures. Finally, cursory scans of the 2:1 cluster show that this cluster also fragments efficiently upon photoionization by loss of a single water molecule and that it possesses a

  10. Hanging an Airplane: A Case Study in Static Equilibrium

    NASA Astrophysics Data System (ADS)

    Katz, Debora M.

    2009-11-01

    Our classrooms are filled with engineering majors who take a semester-long course in static equilibrium. Many students find this class too challenging and drop their engineering major. In our introductory physics class, we often breeze through static equilibrium; to physicists equilibrium is just a special case of Newton's second law. While it is difficult to find more time in the syllabus for any one topic, a hands-on case study may help students to develop their physical intuition about static equilibrium and may help them to succeed in their subsequent classes. This article describes a hands-on case study that you may wish to use in your classroom. (You may also wish to check a case study involving a boat published in this journal in the 1990s. ) The hands-on case study presented here can be easily modified to work at the high school or introductory college level. There are three major components: I) planning, II) doing, and III) calculating.

  11. Equilibrium Studies of Designed Metalloproteins.

    PubMed

    Gibney, B R

    2016-01-01

    Complete thermodynamic descriptions of the interactions of cofactors with proteins via equilibrium studies are challenging, but are essential to the evaluation of designed metalloproteins. While decades of studies on protein-protein interaction thermodynamics provide a strong underpinning to the successful computational design of novel protein folds and de novo proteins with enzymatic activity, the corresponding paucity of data on metal-protein interaction thermodynamics limits the success of computational metalloprotein design efforts. By evaluating the thermodynamics of metal-protein interactions via equilibrium binding studies, protein unfolding free energy determinations, proton competition equilibria, and electrochemistry, a more robust basis for the computational design of metalloproteins may be provided. Our laboratory has shown that such studies provide detailed insight into the assembly and stability of designed metalloproteins, allow for parsing apart the free energy contributions of metal-ligand interactions from those of porphyrin-protein interactions in hemeproteins, and even reveal their mechanisms of proton-coupled electron transfer. Here, we highlight studies that reveal the complex interplay between the various equilibria that underlie metalloprotein assembly and stability and the utility of making these detailed measurements. PMID:27586343

  12. Non-equilibrium phase transitions

    SciTech Connect

    Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.

    1998-12-31

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken.

  13. 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…

  14. 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.

  15. Ionized cluster beam deposition

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, A. R.

    1983-11-01

    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.

  16. 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.

  17. 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.

  18. A simple way to model nebulae with distributed ionizing stars

    NASA Astrophysics Data System (ADS)

    Jamet, L.; Morisset, C.

    2008-04-01

    Aims: This work is a follow-up of a recent article by Ercolano et al. that shows that, in some cases, the spatial dispersion of the ionizing stars in a given nebula may significantly affect its emission spectrum. The authors found that the dispersion of the ionizing stars is accompanied by a decrease in the ionization parameter, which at least partly explains the variations in the nebular spectrum. However, they did not research how other effects associated to the dispersion of the stars may contribute to those variations. Furthermore, they made use of a unique and simplified set of stellar populations. The scope of the present article is to assess whether the variation in the ionization parameter is the dominant effect in the dependence of the nebular spectrum on the distribution of its ionizing stars. We examined this possibility for various regimes of metallicity and age. We also investigated a way to model the distribution of the ionizing sources so as to bypass expensive calculations. Methods: We wrote a code able to generate random stellar populations and to compute the emission spectra of their associated nebulae through the widespread photoionization code cloudy. This code can process two kinds of spatial distributions of the stars: one where all the stars are concentrated at one point, and one where their separation is such that their Strömgren spheres do not overlap. Results: We found that, in most regimes of stellar population ages and gas metallicities, the dependence of the ionization parameter on the distribution of the stars is the dominant factor in the variation of the main nebular diagnostics with this distribution. We derived a method to mimic those effects with a single calculation that makes use of the common assumptions of a central source and a spherical nebula, in the case of constant density objects. This represents a computation time saving by a factor of at least several dozen in the case of H ii regions ionized by massive clusters.

  19. Amorphous silicon ionizing particle detectors

    DOEpatents

    Street, Robert A.; Mendez, Victor P.; Kaplan, Selig N.

    1988-01-01

    Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation.

  20. Amorphous silicon ionizing particle detectors

    DOEpatents

    Street, R.A.; Mendez, V.P.; Kaplan, S.N.

    1988-11-15

    Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation. 15 figs.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. Non-equilibrium dynamics in AMO quantum simulators

    NASA Astrophysics Data System (ADS)

    Daley, Andrew

    2016-05-01

    Recently, the possibility to control and measure AMO systems time-dependently has generated a lot of progress in exploring out-of-equilibrium dynamics for strongly interacting many-particle systems. This connects directly to fundamental questions relating to the relaxation of such systems to equilibrium, as well as the spreading of correlations and build-up of entanglement. While ultracold atoms allow for exceptional microscopic control over quantum gases with short-range interactions, experiments with polar molecules and chains of trapped ions now also offer the possibility to investigate spin models with long-range interactions. I will give an introduction to the recent developments in this area, illustrated with two examples: (i) the possibility to measurement entanglement for many itinerant particles with ultracold atoms in optical lattices, and (ii) new opportunities to compare dynamics with short and long-range interactions, especially using systems of trapped ions, where it is possible to control the effective range of interactions.

  6. Electron-impact ionization and dissociative ionization of biomolecules

    NASA Astrophysics Data System (ADS)

    Huo, Winifred

    2006-05-01

    Oxidative damages by ionizing radiation are the source of radiation-induced damages to human health. It is recognized that secondary electrons play a role in the damage process, particularly important is the damage of DNA by electrons, potentially leading to mutagenesis. The damage can be direct, by creating a DNA lesion, or indirect, by producing radicals that attack the DNA. Molecular-level study of electron interaction with DNA provides information on the damage pathways and dominant mechanisms. This investigation focuses on ionization and dissociative ionization (DI) of DNA fragments by electron-impact. For ionization we use the improved binary-encounter dipole (iBED) model [W.M. Huo, Phys. Rev. A64, 042719-1 (2001)]. For DI it is assumed that electron motion is much faster than nuclear motion, allowing DI to be treated as a two-step process and the DI cross section given by the product of the ionization cross section and dissociation probability. The ionization study 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'- and C5'-deoxyribose-phospate cross sections, differing by less than 5%. The result implies that certain properties of the DNA, like the total ionization cross section, are localized properties and an additivity principle may apply. This allows us to obtain properties of a larger molecular system built up from the results of smaller subsystem fragments. The DI of guanine and cytosine has been studied. For guanine, a proton is produced from the channel where the ionized electron originates from a molecular orbital with significant charge density along the N(1)-H bond. The interaction of the proton with cytosine was also studied.

  7. Hierarchical condensation near phase equilibrium

    NASA Astrophysics Data System (ADS)

    Olemskoi, A. I.; Yushchenko, O. V.; Borisyuk, V. N.; Zhilenko, T. I.; Kosminska, Yu. O.; Perekrestov, V. I.

    2012-06-01

    A novel mechanism of new phase formation is studied both experimentally and theoretically in the example of quasi-equilibrium stationary condensation in an ion-plasma sputterer. Copper condensates are obtained to demonstrate that a specific network structure is formed as a result of self-assembly in the course of deposition. The fractal pattern related is inherent in the phenomena of diffusion limited aggregation. Condensate nuclei are shown to form statistical ensemble of hierarchically subordinated objects distributed in ultrametric space. The Langevin equation and the Fokker-Planck equation related are found to describe stationary distribution of thermodynamic potential variations at condensation. Time dependence of the formation probability of branching structures is found to clarify the experimental situation.

  8. Neoclassical equilibrium in gyrokinetic simulations

    SciTech Connect

    Garbet, X.; Dif-Pradalier, G.; Nguyen, C.; Sarazin, Y.; Grandgirard, V.; Ghendrih, Ph.

    2009-06-15

    This paper presents a set of model collision operators, which reproduce the neoclassical equilibrium and comply with the constraints of a full-f global gyrokinetic code. The assessment of these operators is based on an entropy variational principle, which allows one to perform a fast calculation of the neoclassical diffusivity and poloidal velocity. It is shown that the force balance equation is recovered at lowest order in the expansion parameter, the normalized gyroradius, hence allowing one to calculate correctly the radial electric field. Also, the conventional neoclassical transport and the poloidal velocity are reproduced in the plateau and banana regimes. The advantages and drawbacks of the various model operators are discussed in view of the requirements for neoclassical and turbulent transport.

  9. 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.

  10. String fluid in local equilibrium

    NASA Astrophysics Data System (ADS)

    Schubring, Daniel; Vanchurin, Vitaly

    2014-10-01

    We study the solutions of string fluid equations under the assumption of a local equilibrium which was previously obtained in the context of the kinetic theory. We show that the fluid can be foliated into noninteracting submanifolds whose equations of motion are exactly that of the wiggly strings considered previously by Vilenkin and Carter. In a special case of negligible statistical variance in either the left- or the right-moving directions of microscopic strings, the submanifolds are described by the action of a null-current-carrying chiral string. When both variances vanish the submanifolds are described by the Nambu-Goto action and the string fluid reduces to the string dust introduced by Stachel.

  11. Equilibrium Potentials of Membrane Electrodes

    PubMed Central

    Wang, Jui H.; Copeland, Eva

    1973-01-01

    A simple thermodynamic theory of the equilibrium potentials of membrane electrodes is formulated and applied to the glass electrode for measurement of pH. The new formulation assumes the selective adsorption or binding of specific ions on the surface of the membrane which may or may not be permeable to the ion, and includes the conventional derivation based on reversible ion transport across membranes as a special case. To test the theory, a platinum wire was coated with a mixture of stearic acid and methyl-tri-n-octyl-ammonium stearate. When this coated electrode was immersed in aqueous phosphate solution, its potential was found to be a linear function of pH from pH 2 to 12 with a slope equal to the theoretical value of 59.0 mV per pH unit at 24°. PMID:4516194

  12. Equilibrium calculations of firework mixtures

    SciTech Connect

    Hobbs, M.L.; Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro

    1994-12-31

    Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.

  13. Equilibrium Slab Models of Lyman-Alpha Clouds

    NASA Technical Reports Server (NTRS)

    Charlton, Jane C.; Salpeter, Edwin E.; Hogan, Craig J.

    1993-01-01

    We model the L(sub y(alpha)) clouds as slabs of hydrogen with an ionizing extragalactic radiation field incident from both sides. In general, the equilibrium configuration of a slab at redshift z approx. less than 5 is determined by a balance of the gas pressure, gravity (including the effects of a dark matter halo), and the pressure exerted by the inter-galactic medium, P(sub ext). These models have been used to make predictions of the number of slabs as a function of the neutral hydrogen column density, N(sub H). A break in the curve is predicted at the transition between regimes where gravity and pressure are the dominant confining forces, with a less rapid decrease at larger N(sub H). The transition from optically thin to optically thick slabs leads to a gap in the distribution, whose location is governed largely by the spectrum of ionizing radiation. There are certain parallels between lines of sight through the outer HI disk of spiral galaxy with increasing radius, and the progression from damped, to Lyman limit, to forest clouds. We discuss briefly the possibility that at least some of the observed low z forest clouds may be a separate population, associated with galaxies, as suggested by the observations of Bahcall et al. This population could dominate the forest at present if the dark matter attached to galaxies should lead to gravity confinement for this disk population, while the isolated clouds remain pressure confined. The formalism developed in this paper will allow a more detailed study. We also discuss a more general parameter study of the equilibrium configuration of slabs, including mock gravity and L(sub y(alpha)) photon trapping.

  14. Theoretical studies of photoexcitation and ionization in H2O

    NASA Technical Reports Server (NTRS)

    Diercksen, G. H. F.; Kraemer, W. P.; Rescigno, T. N.; Bender, C. F.; Mckoy, B. V.; Langhoff, S. R.; Langhoff, P. W.

    1982-01-01

    Theoretical studies using Franck-Condon and static-exchange approximations are reported for the complete dipole excitation and ionization spectrum in H2O, where (1) large Cartesian Gaussian basis sets are used to represent the required discrete and continuum electronic eigenfunctions at the ground state equilibrium geometry, and (2) previously devised moment-theory techniques are employed in constructing the continuum oscillator-strength densities from the calculated spectra. Comparisons are made of the calculated excitation and ionization profiles with recent experimental photoabsorption studies and corresponding spectral assignments, electron impact-excitation cross sections, and dipole and synchrotron-radiation studies of partial-channel photoionization cross sections. The calculated partial-channel cross sections are found to be atomic-like, and dominated by 2p-kd components. It is suggested that the latter transition couples with the underlying 1b(1)-kb(1) channel, accounting for a prominent feature in recent synchrotron-radiation measurements.

  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. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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. PMID:26671401

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. Martian Meteor Ionization Layers

    NASA Technical Reports Server (NTRS)

    Grebowsky, J. M.; Pesnell, W. D.

    1999-01-01

    Small interplanetary grains bombard Mars, like all the solar system planets, and, like all the planets with atmospheres, meteoric ion and atom layers form in the upper atmosphere. We have developed a comprehensive one-dimensional model of the Martian meteoric ionization layer including a full chemical scheme. A persistent layer of magnesium ions should exist around an altitude of 70 km. Unlike the terrestrial case, where the metallic ions are formed via charge-exchange with the ambient ions, Mg(+) in the Martian atmosphere is produced by photoionization. Nevertheless, the predicted metal layer peak densities for Earth and Mars are similar. Diffusion solutions, such as those presented here, should be a good approximation of the metallic ions in regions where the magnetic field is negligible and may provide a significant contribution to the nightside ionosphere. The low ultraviolet absorption of the Martian atmosphere may make Mars an excellent laboratory in which to study meteoric ablation. Resonance lines not seen in the spectra of terrestrial meteors may be visible to a surface observatory in the Martian highlands.

  11. Strange attractors with various equilibrium types

    NASA Astrophysics Data System (ADS)

    Sprott, J. C.

    2015-07-01

    Of the eight types of hyperbolic equilibrium points in three-dimensional flows, one is overwhelmingly dominant in dissipative chaotic systems. This paper shows examples of chaotic systems for each of the eight types as well as one without any equilibrium and two that are nonhyperbolic. The systems are a generalized form of the Nosé-Hoover oscillator with a single equilibrium point. Six of the eleven cases have hidden attractors, and six of them exhibit multistability for the chosen parameters.

  12. 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.

  13. 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.

  14. 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

  15. 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. PMID:25757823

  16. 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.

  17. 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. PMID:27078486

  18. 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.

  19. Determining Equilibrium Position For Acoustical Levitation

    NASA Technical Reports Server (NTRS)

    Barmatz, M. B.; Aveni, G.; Putterman, S.; Rudnick, J.

    1989-01-01

    Equilibrium position and orientation of acoustically-levitated weightless object determined by calibration technique on Earth. From calibration data, possible to calculate equilibrium position and orientation in presence of Earth gravitation. Sample not levitated acoustically during calibration. Technique relies on Boltzmann-Ehrenfest adiabatic-invariance principle. One converts resonant-frequency-shift data into data on normalized acoustical potential energy. Minimum of energy occurs at equilibrium point. From gradients of acoustical potential energy, one calculates acoustical restoring force or torque on objects as function of deviation from equilibrium position or orientation.

  20. 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.

  1. 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

  2. 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

  3. IONIZED GAS IN THE GALACTIC CENTER: NEW OBSERVATIONS AND INTERPRETATION

    SciTech Connect

    Irons, Wesley T.; Lacy, John H.; Richter, Matthew J.

    2012-08-20

    We present new observations of the [Ne II] emission from the ionized gas in Sgr A West with improved resolution and sensitivity. About half of the emission comes from gas with kinematics indicating it is orbiting in a plane tipped about 25 Degree-Sign from the Galactic plane. This plane is consistent with that derived previously for the circumnuclear molecular disk and the northern arm and western arc ionized features. However, unlike most previous studies, we conclude that the ionized gas is not moving along the ionized features, but on more nearly circular paths. The observed speeds are close to, but probably somewhat less than expected for orbital motions in the potential of the central black hole and stars and have a small inward component. The spatial distribution of the emission is well fitted by a spiral pattern. We discuss possible physical explanations for the spatial distribution and kinematics of the ionized gas, and conclude that both may be best explained by a one-armed spiral density wave, which also accounts for both the observed low velocities and the inward velocity component. We suggest that a density wave may result from the precession of elliptical orbits in the potential of the black hole and stellar mass distribution.

  4. Triggered star formation in giant HI supershells: ionized gas

    NASA Astrophysics Data System (ADS)

    Egorov, O. V.; Lozinskaya, T. A.; Moiseev, A. V.

    We considered the regions of triggered star formation inside kpc-sized HI supershells in three dwarf galaxies: IC 1613, IC 2574 and Holmberg II. The ionized and neutral gas morphology and kinematics were studied based on our observations with scanning Fabry-Perot interferometer at the SAO RAS 6-m telescope and 21 cm archival data of THINGS and LITTLE THINGS surveys. Qualitative analysis of the observational data was performed in order to highlight two questions: why the star formation occurred very locally in the supershells, and how the ongoing star formation in HI supershells rims influence its evolution? During the investigation we discovered the phenomenon never before observed in galaxies IC 2574 and Holmberg II: we found faint giant (kpc- sized) ionized shells in H-alpha and [SII]6717,6731 lines inside the supergiant HI shells.

  5. Ionization of impurities in silicon

    NASA Astrophysics Data System (ADS)

    Kuźmicz, Wiesław

    1986-12-01

    A model for calculation of the percentage of ionized dopant atoms as a function of the doping concentration and temperature is proposed. The results are compared with experiment. Analytical approximations that facilitate practical applications of the model are given.

  6. Measuring Air-Ionizer Output

    NASA Technical Reports Server (NTRS)

    Lonborg, J. O.

    1985-01-01

    Test apparatus checks ion content of airstream from commercial air ionizer. Apparatus ensures ion output is sufficient to neutralize static charges in electronic assembly areas and concentrations of positive and negative ions are balanced.

  7. 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.

  8. The need for energy equilibrium.

    PubMed

    Flouris, A D; Klentrou, P

    2005-06-01

    Human bioenergetics has been extensively assessed by means of field proxies (ie, cardiorespiratory fitness field tests) during the last two decades. A systematic review of the germane literature, however, suggests considerable controversy as to whether the present tests lead to valid measurements of energy expenditure/utilisation. The present paper suggests that current modalities of field testing being used as predictive models for bioenergetics may suffer from methodological limitations, stemming primarily from inappropriate design. A major weakness in the theoretical basis of proxies is that, although based on field measurements, it seeks to predict laboratory bioenergetics which, in turn, are used to provide information on field performance. Hence, it seems reasonable that the number of transformations increases the potential for error and may have significant impact on the prediction of bioenergetics. Recent studies asserted the importance of achieving 'energy equilibrium' between the reference standard and each proxy. The suggested approach involves designing proxies that closely simulate each laboratory protocol used as reference standard. The theoretical bases of previous and contemporary approaches are discussed in an attempt to increase the validity of current proxy assessments.

  9. 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.

  10. 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.

  11. 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.

  12. Shock Wave Dynamics in Weakly Ionized Gases

    NASA Technical Reports Server (NTRS)

    Johnson, Joseph A., III

    1998-01-01

    We have begun a comprehensive series of analyses and experiments to study the basic problem of shock wave dynamics in ionized media. Our objective is to isolate the mechanisms that are responsible for the decrease in the shock amplitude and also to determine the relevant plasma parameters that will be required for a drag reduction scheme in an actual high altitude hypersonic flight. Specifically, we have initiated a program of analyses and measurements with the objective of (i) fully characterizing the propagation dynamics in plasmas formed in gases of aerodynamic interest, (ii) isolating the mechanisms responsible for the decreased shock strength and increased shock velocity, (iii) extrapolating the laboratory observations to the technology of supersonic flight.

  13. Equilibrium sampling to determine the thermodynamic potential for bioaccumulation of persistent organic pollutants from sediment.

    PubMed

    Jahnke, Annika; MacLeod, Matthew; Wickström, Håkan; Mayer, Philipp

    2014-10-01

    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.

  14. The effects of nonequilibrium ionization on the radiative losses of the solar corona

    SciTech Connect

    Spadaro, D.; Zappala, R.A.; Antiochos, S.K.; Lanzafame, G.; Noci, G. )

    1990-10-01

    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. 19 refs.

  15. 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.

  16. 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...

  17. A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water

    PubMed Central

    Wu, Xiongwu; Brooks, Bernard R.

    2015-01-01

    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. PMID:26506245

  18. 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.

  19. 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.

  20. Inference of directional selection and mutation parameters assuming equilibrium.

    PubMed

    Vogl, Claus; Bergman, Juraj

    2015-12-01

    In a classical study, Wright (1931) proposed a model for the evolution of a biallelic locus under the influence of mutation, directional selection and drift. He derived the equilibrium distribution of the allelic proportion conditional on the scaled mutation rate, the mutation bias and the scaled strength of directional selection. The equilibrium distribution can be used for inference of these parameters with genome-wide datasets of "site frequency spectra" (SFS). Assuming that the scaled mutation rate is low, Wright's model can be approximated by a boundary-mutation model, where mutations are introduced into the population exclusively from sites fixed for the preferred or unpreferred allelic states. With the boundary-mutation model, inference can be partitioned: (i) the shape of the SFS distribution within the polymorphic region is determined by random drift and directional selection, but not by the mutation parameters, such that inference of the selection parameter relies exclusively on the polymorphic sites in the SFS; (ii) the mutation parameters can be inferred from the amount of polymorphic and monomorphic preferred and unpreferred alleles, conditional on the selection parameter. Herein, we derive maximum likelihood estimators for the mutation and selection parameters in equilibrium and apply the method to simulated SFS data as well as empirical data from a Madagascar population of Drosophila simulans.

  1. 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…

  2. A computationally efficient Multicomponent Equilibrium Solver for Aerosols (MESA)

    NASA Astrophysics Data System (ADS)

    Zaveri, Rahul A.; Easter, Richard C.; Peters, Leonard K.

    2005-12-01

    Development and application of a new Multicomponent Equilibrium Solver for Aerosols (MESA) is described for systems containing H+, NH4+, Na+, Ca2+, SO42-, HSO4-, NO3-, and Cl- ions. The equilibrium solution is obtained by integrating a set of pseudo-transient ordinary differential equations describing the precipitation and dissolution reactions for all the possible salts to steady state. A comprehensive temperature dependent mutual deliquescence relative humidity (MDRH) parameterization is developed for all the possible salt mixtures, thereby eliminating the need for a rigorous numerical solution when ambient RH is less than MDRH(T). The solver is unconditionally stable, mass conserving, and shows robust convergence. Performance of MESA was evaluated against the Web-based AIM Model III, which served as a benchmark for accuracy, and the EQUISOLV II solver for speed. Important differences in the convergence and thermodynamic errors in MESA and EQUISOLV II are discussed. The average ratios of speeds of MESA over EQUISOLV II ranged between 1.4 and 5.8, with minimum and maximum ratios of 0.6 and 17, respectively. Because MESA directly diagnoses MDRH, it is significantly more efficient when RH < MDRH. MESA's superior performance is partially due to its "hard-wired" code for the present system as opposed to EQUISOLV II, which has a more generalized structure for solving any number and type of reactions at temperatures down to 190 K. These considerations suggest that MESA is highly attractive for use in 3-D aerosol/air-quality models for lower tropospheric applications (T > 240 K) in which both accuracy and computational efficiency are critical.

  3. Similarity of ionized gas nebulae around unobscured and obscured quasars

    NASA Astrophysics Data System (ADS)

    Liu, Guilin; Zakamska, Nadia L.; Greene, Jenny E.

    2014-08-01

    Quasar feedback is suspected to play a key role in the evolution of massive galaxies, by removing or reheating gas in quasar host galaxies and thus limiting the amount of star formation. In this paper, we continue our investigation of quasar-driven winds on galaxy-wide scales. We conduct Gemini Integral Field Unit spectroscopy of a sample of luminous unobscured (type 1) quasars, to determine the morphology and kinematics of ionized gas around these objects, predominantly via observations of the [O III] λ5007 Å emission line. We find that ionized gas nebulae extend out to ˜13 kpc from the quasar, that they are smooth and round, and that their kinematics are inconsistent with gas in dynamical equilibrium with the host galaxy. The observed morphological and kinematic properties are strikingly similar to those of ionized gas around obscured (type 2) quasars with matched [O III] luminosity, with marginal evidence that nebulae around unobscured quasars are slightly more compact. Therefore, in samples of obscured and unobscured quasars carefully matched in [O III] luminosity, we find support for the standard geometry-based unification model of active galactic nuclei, in that the intrinsic properties of the quasars, of their hosts and of their ionized gas appear to be very similar. Given the apparent ubiquity of extended ionized regions, we are forced to conclude that either the quasar is at least partially illuminating pre-existing gas or that both samples of quasars are seen during advanced stages of quasar feedback. In the latter case, we may be biased by our [O III]-based selection against quasars in the early `blow-out' phase, for example due to dust obscuration.

  4. Physical Conditions in Low Ionization Regions of the Orion Nebula

    NASA Technical Reports Server (NTRS)

    Baldwin, J. A.; Crotts, A.; DuFour, R. J.; Ferland, G. J.; Heathcote, S.; Hester, J. J.; Korista, K. T.; Martin, P. J.; ODell, C. R.

    1996-01-01

    We reexamine the spectroscopic underpinnings of recent claims that low ionization (O(I)) and (Fe(II)) lines from the Orion H(II) region are produced in a region where the iron-carrying grains have been destroyed and the electron density is surprisingly high. Our new HST and CTIO observations show that previous reported detections of(O(I)) lambda 5577 were strongly affected by telluric emission. Our line limits consistent with a moderate density (approx. 10(exp 4)/cu. cm photoionized gas. We show that a previously proposed model of the Orion H(II) region reproduces the observed (O(I)) and (Fe(II)) spectrum. These lines are fully consistent with formation in a moderate density dusty region.

  5. 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…

  6. A general equilibrium analysis of partial-equilibrium welfare measures: The case of climate change

    SciTech Connect

    Kokoski, M.F.; Smith, V.K. )

    1987-06-01

    This paper uses computable general equilibrium models to demonstrate that partial-equilibrium welfare measures can offer reasonable approximations of the true welfare changes for large exogenous changes. With consistency in the size and direction of the indirect price effects associated with large shocks, single sector partial-equilibrium measures will exhibit small errors. Otherwise the errors can be substantial and difficult to sign.

  7. 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.

  8. 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.

  9. Disturbances in equilibrium function after major earthquake.

    PubMed

    Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi

    2012-01-01

    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.

  10. 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.

  11. 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.

  12. Coordination properties of hydralazine Schiff base. Synthesis and equilibrium studies of some metal ion complexes

    NASA Astrophysics Data System (ADS)

    Shoukry, Azza A.; Shoukry, Mohamed M.

    2008-08-01

    In the present study, a new ligand is prepared by condensation of hydralazine (1-Hydralazinophthalazine) with 2-butanon-3-oxime. The acid-base equilibria of the schiff-base and the complex formation equilibria with the metal ions as Cu(II), Ni(II), Co(II), Cd(II), Mn(II) and Zn(II) are investigated potentiometrically. The stability constants of the complexes are determined and the concentration distribution diagrams of the complexes are evaluated. The effect of metal ion properties as atomic number, ionic radius, electronegativity and ionization potential are investigated. The isolated solid complexes are characterized by conventional chemical and physical methods. The potential coordination sites are assigned using the i.r. and 1H NMR spectra. The structures of the isolated solid complexes are proposed on the basis of the spectral and magnetic studies.

  13. Copper adsorption on magnetite-loaded chitosan microspheres: A kinetic and equilibrium study

    NASA Astrophysics Data System (ADS)

    Podzus, P. E.; Debandi, M. V.; Daraio, M. E.

    2012-08-01

    A composite of Fe3O4 nanoparticles and the biopolymer chitosan, chemically crosslinked, was prepared as microspheres and used to adsorb copper ions, which were chosen as a model of contaminant metal in water. The adsorption of copper on the magnetic microspheres was studied in a batch process, with different aqueous solutions of Cu (II) at concentrations ranging from 40 to 1100 ppm. Kinetic and equilibrium aspects of the adsorption process were studied. The time-dependent Cu (II) adsorption data were well described by a pseudo-second-order kinetic model. It was found that the equilibrium data follow the Langmuir isotherm, with a maximum adsorption capacity of around 500 mg Cu/g chitosan. The used microspheres were removed and after desorption the material was able to be reused as an adsorbent. The prepared microspheres proved efficient in the removal of copper ions through an adsorption process whose kinetic and equilibrium characteristics were analyzed.

  14. 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.

  15. 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…

  16. 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.

  17. 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).

  18. 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

  19. The role of partial ionization effects in the chromosphere

    NASA Astrophysics Data System (ADS)

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo; Carlsson, Mats

    2015-04-01

    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 atmospheres

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. Local Nash Equilibrium in Social Networks

    PubMed Central

    Zhang, Yichao; Aziz-Alaoui, M. A.; Bertelle, Cyrille; Guan, Jihong

    2014-01-01

    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. PMID:25169150

  5. Physical Properties of the Edge-On Ionization Front in the Trifid Nebula

    NASA Astrophysics Data System (ADS)

    Niedzielski, Joshua; Baldwin, J. A.; Pellegrini, E.

    2010-01-01

    An edge-on ionization front in the Galactic H II region M20 was observed on two nights with the SOAR telescope. Grids of long-slit spectra were taken that include the Hα, Hβ and [S II] 6717, 6731 emission lines, which were used to determine the reddening correction, Hα surface brightness and electron density at thousands of points across the ionization front. The electron density is found to increase sharply to about 1000 cm-3 within the region of high Hα surface brightness. In addition, the [N II] 6548, 6583, and 5755 emission lines were used to determine the electron temperature across the ionization front. Our results are compared to those of Lefloch et al (2002) who used far-infrared and radio spectra.

  6. 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).

  7. Chlorodifluoromethane equilibrium on 13X molecular sieve

    NASA Astrophysics Data System (ADS)

    Carlile, Donna L.; Mahle, John J.; Buettner, Leonard C.; Tevault, David E.; Friday, David K.

    1994-08-01

    Adsorption phase equilibrium data are required for evaluating any adsorption-based gas separation process. The U.S. Army Edgewood Research, Development and Engineering Center is currently measuring adsorption phase equilibrium data for a variety of chemical warfare agents and their surrogates on adsorbent materials to correlate physical properties to filtration/separation efficiencies of each vapor on each adsorbent. This report details the adsorption phase equilibrium data measured for chlorodifluoromethane (R-22) on 13X Molecular Sieve. The 13X Molecular Sieve is a candidate adsorbent for future military air purification systems employing the pressure-swing adsorption separation process.

  8. 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.

  9. Asymmetric Magnetic Reconnection in Weakly Ionized Chromospheric Plasmas

    NASA Astrophysics Data System (ADS)

    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.

  10. 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).

  11. 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.

  12. 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…

  13. A breakthrough biosorbent in removing heavy metals: Equilibrium, kinetic, thermodynamic and mechanism analyses in a lab-scale study.

    PubMed

    Abdolali, Atefeh; Ngo, Huu Hao; Guo, Wenshan; Lu, Shaoyong; Chen, Shiao-Shing; Nguyen, Nguyen Cong; Zhang, Xinbo; Wang, Jie; Wu, Yun

    2016-01-15

    A breakthrough biosorbent namely multi-metal binding biosorbent (MMBB) made from a combination of tea wastes, maple leaves and mandarin peels, was prepared to evaluate their biosorptive potential for removal of Cd(II), Cu(II), Pb(II) and Zn(II) from multi-metal aqueous solutions. FTIR and SEM were conducted, before and after biosorption, to explore the intensity and position of the available functional groups and changes in adsorbent surface morphology. Carboxylic, hydroxyl and amine groups were found to be the principal functional groups for the sorption of metals. MMBB exhibited best performance at pH 5.5 with maximum sorption capacities of 31.73, 41.06, 76.25 and 26.63 mg/g for Cd(II), Cu(II), Pb(II) and Zn(II), respectively. Pseudo-first and pseudo-second-order models represented the kinetic experimental data in different initial metal concentrations very well. Among two-parameter adsorption isotherm models, the Langmuir equation gave a better fit of the equilibrium data. For Cu(II) and Zn(II), the Khan isotherm describes better biosorption conditions while for Cd(II) and Pb(II), the Sips model was found to provide the best correlation of the biosorption equilibrium data. The calculated thermodynamic parameters indicated feasible, spontaneous and exothermic biosorption process. Overall, this novel MMBB can effectively be utilized as an adsorbent to remove heavy metal ions from aqueous solutions.

  14. Spreadsheet Templates for Chemical Equilibrium Calculations.

    ERIC Educational Resources Information Center

    Joshi, Bhairav D.

    1993-01-01

    Describes two general spreadsheet templates to carry out all types of one-equation chemical equilibrium calculations encountered by students in undergraduate chemistry courses. Algorithms, templates, macros, and representative examples are presented to illustrate the approach. (PR)

  15. Stochastic approach to equilibrium and nonequilibrium thermodynamics

    NASA Astrophysics Data System (ADS)

    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.

  16. Sound speeds in suspensions in thermodynamic equilibrium

    NASA Astrophysics Data System (ADS)

    Temkin, S.

    1992-11-01

    This work considers sound propagation in suspensions of particles of constant mass in fluids, in both relaxed and frozen thermodynamic equilibrium. Treating suspensions as relaxing media, thermodynamic arguments are used to obtain their sound speeds in equilibrium conditions. The results for relaxed equilibrium, which is applicable in the limit of low frequencies, agree with existing theories for aerosols, but disagree with Wood's equation. It is shown that the latter is thermodynamically correct only in the exceptional case when the specific heat ratios of the fluid and of the particles are equal to unity. In all other cases discrepancies occur. These may be significant when one of the two phases in the suspension is a gas, as is the case in aerosols and in bubbly liquids. The paper also includes a brief discussion of the sound speed in frozen equilibrium.

  17. Points of Equilibrium in Electrostatic Fields.

    ERIC Educational Resources Information Center

    Rogers, Peter J.

    1979-01-01

    Discusses the electric field line pattern for four equal charges of the same sign placed at the corners of a square. The electric field intensity and the point of equilibrium are interpreted, taking into account three dimensions. (HM)

  18. An Elementary Discussion of Chemical Equilibrium.

    ERIC Educational Resources Information Center

    David, Carl W.

    1988-01-01

    This discussion uses a more difficult reaction as the prototype to derive the standard equation for chemical equilibrium. It can be used by students who can understand and use partial derivatives. (CW)

  19. 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. PMID:25974471

  20. 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.

  1. 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)

  2. Thermal equilibrium in Europa's ice shell

    NASA Astrophysics Data System (ADS)

    Moore, William B.

    2006-01-01

    Models of tidal-convective equilibrium for Europa's ice shell are computed using a laboratory-derived composite flow law for ice. Volume diffusion creep is found to dominate the flow law at equilibrium, and thus the thickness of the shell is strongly dependent on the poorly known grain size of the ice. This grain size is, however, constrained to be less than a few millimeters if equilibrium is achieved at the current eccentricity. Europa's ice shell cannot be thinner than about 16 km in equilibrium at present, since tidal dissipation cannot generate enough heat in such a thin shell to balance the heat transport. No conductive equilibria are found; this is likely due to the fact that most of a conductive shell must be cold if temperature gradients are to be large enough to carry the heat. A minimum eccentricity of about 0.0025 (about 1/4 the present value) below which there are no equilibria is also found.

  3. 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.

  4. A multiple sampling time projection ionization chamber for nuclear fragment tracking and charge measurement

    NASA Astrophysics Data System (ADS)

    Bauer, G.; Bieser, F.; Brady, F. P.; Chance, J. C.; Christie, W. F.; Gilkes, M.; Lindenstruth, V.; Lynen, U.; Müller, Walter F. J.; Romero, J. L.; Sann, H.; Tull, C. E.; Warren, P.

    1997-02-01

    A detector has been developed for the tracking and charge measurement of the projectile fragment nuclei produced in relativistic nuclear collisions. This device, MUSIC II, is a second generation Multiple Sampling Ionization Chamber (MUSIC), and employs the principles of ionization and time projection chambers. It provides unique charge determination for charges Z≥6, and excellent track position measurement. MUSIC II has been used most recently with the EOS (Equation of State) TPC and other EOS Collaboration detectors. Earlier it was used with other systems in experiments at the Heavy Ion Superconducting Spectrometer (HISS) facility at Lawrence Berkeley Laboratory and the ALADIN spectrometer at GSI.

  5. Equilibrium fluctuation energy of gyrokinetic plasma

    SciTech Connect

    Krommes, J.A.; Lee, W.W.; Oberman, C.

    1985-11-01

    The thermal equilibrium electric field fluctuation energy of the gyrokinetic model of magnetized plasma is computed, and found to be smaller than the well-known result (k)/8..pi.. = 1/2T/(1 + (klambda/sub D/)/sup 2/) valid for arbitrarily magnetized plasmas. It is shown that, in a certain sense, the equilibrium electric field energy is minimum in the gyrokinetic regime. 13 refs., 2 figs.

  6. 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

  7. Non-equilibrium Kinematics in Merging Galaxies

    NASA Astrophysics Data System (ADS)

    Mihos, J. C.

    Measurements of the kinematics of merging galaxies are often used to derive dynamical masses, study evolution onto the fundamental plane, or probe relaxation processes. These measurements are often compromised to some degree by strong non-equilibrium motions in the merging galaxies. This talk focuses on the evolution of the kinematics of merging galaxies, and highlights some pitfalls which occur when studying non-equilibrium systems.

  8. 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.

  9. 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.

  10. 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.

  11. Rayleigh-Taylor instability at ionization fronts: perturbation analysis

    NASA Astrophysics Data System (ADS)

    Ricotti, Massimo

    2014-01-01

    The linear growth rate of the Rayleigh-Taylor instability (RTI) at ionization fronts is investigated via perturbation analysis in the limit of incompressible fluids. In agreement with previous numerical studies, it is found that absorption of ionizing radiation inside the H II region due to hydrogen recombinations suppresses the growth of instabilities. In the limit of a large density contrast at the ionization front, the RTI growth rate has the simple analytical solution n=-ν _rec+(ν _rec^2+gk)^{1/2}, where νrec is the hydrogen recombination rate inside the H II region, k is the perturbation's wavenumber and g is the effective acceleration in the frame of reference of the front. Therefore, the growth of surface perturbations with wavelengths λ ≫ λ _cr ≡ 2π g/ν _rec^2 is suppressed by a factor ˜(λcr/4λ)1/2 with respect to the non-radiative incompressible RTI. Implications on stellar and black hole feedback are briefly discussed.

  12. 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.

  13. Spatially Resolved Measurements of Fully Ionized Low-Z Impurities in the PDX Tokamak

    NASA Astrophysics Data System (ADS)

    Fonck, R. J.; Finkenthal, M.; Goldston, R. J.; Herndon, D. L.; Hulse, R. A.; Kaita, R.; Meyerhofer, D. D.

    1982-09-01

    Fully ionized oxygen and carbon in PDX plasmas are detected via charge-exchange recombination reactions between the impurities and hydrogen atoms from a low-power neutral beam. The C6+ and O8+ ions are observed out to radii beyond the limiter, which is in contrast to expectations based on coronal equilibrium but consistent with a simple diffusive transport model. Central values of Zeff obtained with these measurements agree with values obtained from plasma resistivity and visible bremsstrahlung measurements.

  14. 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.

  15. 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.

  16. 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)

  17. Effects of Astrophysical Magnetic Fields in Partially Ionized Gases

    NASA Astrophysics Data System (ADS)

    Arge, Charles Nickolos

    1997-11-01

    Magnetic field studies in astrophysics are usually carried out with the assumptions that (i) the plasma is fully ionized, and (ii) ideal MHD applies. These assumptions are justified in many astrophysical contexts. However, here, we focus on two environments composed of partially ionized gas, and where dissipation processes due to departures from complete ionization have significant effects. Using detailed numerical computations, we quantify these non-ideal MHD effects and compare them with astrophysical data. First we consider the structure of an MHD shock as it relates to the interaction between the heliosphere and the local interstellar medium (LISM). We ask: does the heliosphere generate a bow shock as it moves through the LISM? Since the LISM is only partially ionized, ion-atom interactions provide a dissipation mechanism which may smooth out an otherwise abrupt transition between the LISM and the heliospheric material. To investigate this possibility, we develop a two-fluid code that computes the structure of one-dimensional transverse MHD shock fronts. We find existence of extensive areas of permissible parameter space where ion-atom mediation is strong enough to smear out the bow shock over hundreds of AU. This is relevant to a recent interpretation of Hubble Space Telescope spectra suggesting that the heliospheric bow shock does not exist. Next, we study the two-dimensional behavior of partially ionized gas in magnetized regions of the solar atmosphere. The highly time-dependent nature of solar magnetic fields frequently produces interacting oppositely directed magnetic fields. Since in partially ionized gases the ions 'feel' the field more than the atoms, the gas which emerges from such interacting fields may have a different ion/atom ratio than the ambient medium. By extending the ZEUS-3D code to apply to a partially ionized gas, we have quantified this effect. Our simulations show that enhancements in ion/atom ratios may be as large as a factor of almost

  18. Non-equilibrium phase transition in mesoscopic biochemical systems: from stochastic to nonlinear dynamics and beyond.

    PubMed

    Ge, Hao; Qian, Hong

    2011-01-01

    A theory for an non-equilibrium phase transition in a driven biochemical network is presented. The theory is based on the chemical master equation (CME) formulation of mesoscopic biochemical reactions and the mathematical method of large deviations. The large deviations theory provides an analytical tool connecting the macroscopic multi-stability of an open chemical system with the multi-scale dynamics of its mesoscopic counterpart. It shows a corresponding non-equilibrium phase transition among multiple stochastic attractors. As an example, in the canonical phosphorylation-dephosphorylation system with feedback that exhibits bistability, we show that the non-equilibrium steady-state (NESS) phase transition has all the characteristics of classic equilibrium phase transition: Maxwell construction, a discontinuous first-derivative of the 'free energy function', Lee-Yang's zero for a generating function and a critical point that matches the cusp in nonlinear bifurcation theory. To the biochemical system, the mathematical analysis suggests three distinct timescales and needed levels of description. They are (i) molecular signalling, (ii) biochemical network nonlinear dynamics, and (iii) cellular evolution. For finite mesoscopic systems such as a cell, motions associated with (i) and (iii) are stochastic while that with (ii) is deterministic. Both (ii) and (iii) are emergent properties of a dynamic biochemical network.

  19. Non-equilibrium phase transition in mesoscopic biochemical systems: from stochastic to nonlinear dynamics and beyond

    PubMed Central

    Ge, Hao; Qian, Hong

    2011-01-01

    A theory for an non-equilibrium phase transition in a driven biochemical network is presented. The theory is based on the chemical master equation (CME) formulation of mesoscopic biochemical reactions and the mathematical method of large deviations. The large deviations theory provides an analytical tool connecting the macroscopic multi-stability of an open chemical system with the multi-scale dynamics of its mesoscopic counterpart. It shows a corresponding non-equilibrium phase transition among multiple stochastic attractors. As an example, in the canonical phosphorylation–dephosphorylation system with feedback that exhibits bistability, we show that the non-equilibrium steady-state (NESS) phase transition has all the characteristics of classic equilibrium phase transition: Maxwell construction, a discontinuous first-derivative of the ‘free energy function’, Lee–Yang's zero for a generating function and a critical point that matches the cusp in nonlinear bifurcation theory. To the biochemical system, the mathematical analysis suggests three distinct timescales and needed levels of description. They are (i) molecular signalling, (ii) biochemical network nonlinear dynamics, and (iii) cellular evolution. For finite mesoscopic systems such as a cell, motions associated with (i) and (iii) are stochastic while that with (ii) is deterministic. Both (ii) and (iii) are emergent properties of a dynamic biochemical network. PMID:20466813

  20. 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.

  1. Navier-Stokes simulation of 3-D hypersonic equilibrium air flow

    NASA Technical Reports Server (NTRS)

    Nagaraj, N.; Lombard, C. K.; Bardina, J.

    1988-01-01

    A computationally efficient three-dimensional conservative supracharacteristic Navier-Stokes method has been extended to simulate complex external chemically reacting flows of hypersonic reentry vehicles at angle-of-attack. Numerical simulation results of the flow around a sphere-cone-cone-flare reentry vehicle at 10 deg angle-of-attack are presented, in addition to the results of a well-validated two-dimensional code with which the 0-deg axisymmetric flow has been computed. A method for obtaining compositions of species in equilibrium ionized air is proposed.

  2. 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.

  3. The phenotypic equilibrium of cancer cells: From average-level stability to path-wise convergence.

    PubMed

    Niu, Yuanling; Wang, Yue; Zhou, Da

    2015-12-01

    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.

  4. The prospective search for highly ionized technetium in hot (pre-) white dwarfs

    NASA Astrophysics Data System (ADS)

    Werner, K.; Rauch, T.; Kučas, S.; Kruk, J. W.

    2015-02-01

    The discovery of technetium (Tc) in the atmospheres of red giants by Merrill (1952, ApJ, 116, 21) constituted convincing proof that s-process nucleosynthesis is indeed occurring in evolved stars. In principle, Tc should still be present in the atmospheres of hot post-AGB stars and (pre-) white dwarfs although, due to radioactive decay, it should be present in decreasing quantities along post-AGB evolution. The recent discovery of a large number of trans-iron group elements in hot white dwarfs with atomic numbers in the range A = 30-56 (Zn to Ba) raises the prospect that Tc (A = 43) may also be detected. However, this is currently not feasible because no atomic data exist for ionization stages beyond Tc ii. As an initial step, we calculated atomic energy levels and oscillator strengths of Tc iv-vi and used these data to compute non-local thermodynamic equilibrium (NLTE) model atmospheres to estimate at which minimum abundance level Tc could be detected. We show that Tc lines can be found in ultraviolet spectra of hot white dwarfs provided Tc is as abundant as other detected trans-Fe elements. We find that radiative levitation can keep Tc in large, easily detectable quantities in the atmosphere. A direct identification of Tc lines is still not feasible because wavelength positions cannot be computed with necessary precision. Laboratory measurements are necessary to overcome this problem. Our results suggest that such efforts are beneficial to the astrophysical community. Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26666.Tables 1-6 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/574/A29

  5. Effects of crowders on the equilibrium and kinetic properties of protein aggregation

    NASA Astrophysics Data System (ADS)

    Bridstrup, John; Yuan, Jian-Min

    2016-08-01

    The equilibrium and kinetic properties of protein aggregation systems in the presence of crowders are investigated using simple, illuminating models based on mass-action laws. Our model yields analytic results for equilibrium properties of protein aggregates, which fit experimental data of actin and ApoC-II with crowders reasonably well. When the effects of crowders on rate constants are considered, our kinetic model is in good agreement with experimental results for actin with dextran as the crowder. Furthermore, the model shows that as crowder volume fraction increases, the length distribution of fibrils becomes narrower and shifts to shorter values due to volume exclusion.

  6. Enhanced ionization of the H2 molecule driven by intense ultrashort laser pulses

    NASA Astrophysics Data System (ADS)

    Dehghanian, E.; Bandrauk, A. D.; Kamta, G. Lagmago

    2010-06-01

    We report correlated two-electron ab initio calculations for the hydrogen molecule H2 in interaction with intense ultrashort laser pulses, via a solution of the full three-dimensional time-dependent Schrödinger equation. Our results for ionization and excitation probabilities (at 800 and 400 nm) as a function of internuclear distance R show strong evidence of enhanced ionization, in both single and double ionization, as well as enhanced excitation, in single and double excitation, as the internuclear distance R increases from the equilibrium value Re. The enhancement of all these molecular processes exhibits a maximum at a critical distance Rc, which can be predicted from simple electrostatic and recollision models.

  7. Subpicosecond pulse laser absorption by an overdense plasma with variable ionization.

    PubMed

    Zhidkov, A; Sasaki, A

    1999-06-01

    Transient ionization of an overdense plasma produced by a subpicosecond, p-polarized obliquely incident pulse laser of moderate intensity (10(16)-10(18) W/cm(2)) changes the plasma heat transfer via processes dominated by the return current and the absorption rate via ion acceleration. To explore the effect of variable ionization, a hybrid one-dimensional electro-magnetic particle-in-cell method that conforms to a direct solution of the Fokker-Planck-Landau equation is applied. A method that includes the Langevin equation to account for Coulomb collisions and the average ion model to calculate the nonlocal thermodynamic equilibrium ionization balance provides good agreement between the computed absorption and the measured results.

  8. 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.

  9. 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.

  10. 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.

  11. Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

    DOE PAGESBeta

    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. 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

  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. Non-Equilibrium Transitions of Heliospheric plasma

    NASA Astrophysics Data System (ADS)

    Livadiotis, G.; McComas, D. J.

    2011-12-01

    Recent advances in Space Physics theory have established the connection between non-extensive Statistical Mechanics and space plasmas by providing a theoretical basis for the empirically derived kappa distributions commonly used to describe the phase space distribution functions of these systems [1]. The non-equilibrium temperature and the kappa index that govern these distributions are the two independent controlling parameters of non-equilibrium systems [1-3]. The significance of the kappa index is primarily given by its role in identifying the non-equilibrium stationary states, and measuring their "thermodynamic distance" from thermal equilibrium [4], while its physical meaning is connected to the correlation between the system's particles [5]. For example, analysis of the IBEX high Energetic Neutral Atom spectra [6] showed that the vast majority of measured kappa indices are between ~1.5 and ~2.5, consistent with the far-equilibrium "cavity" of minimum entropy discovered by Livadiotis & McComas [2]. Spontaneous procedures that can increase the entropy, move the system gradually toward equilibrium, that is the state with the maximum (infinite) kappa index. Other external factors that may decrease the entropy, move the system back to states further from equilibrium where the kappa indices are smaller. Newly formed pick-up ions can play this critical role in the solar wind and other space plasmas. We have analytically shown that their highly ordered motion can reduce the average entropy in the plasma beyond the termination shock, inside the inner heliosheath [7]. Non-equilibrium transitions have a key role in understanding the governing thermodynamical processes of space plasmas. References 1. Livadiotis, G., & McComas, D. J. 2009, JGR, 114, 11105. 2. Livadiotis, G., & McComas, D. J. 2010a, ApJ, 714, 971. 3. Livadiotis, G., & McComas, D. J. 2010c, in AIP Conf. Proc. 9, Pickup Ions Throughout the Heliosphere and Beyond, ed. J. LeRoux, V. Florinski, G. P. Zank, & A

  14. 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.

  15. Efficiency of muscle contraction. The chemimechanic equilibrium

    NASA Astrophysics Data System (ADS)

    Becker, E. W.

    1991-10-01

    Although muscle contraction is one of the principal themes of biological research, the exact mechanism whereby the chemical free energy of ATP hydrolysis is converted into mechanical work remains elusive. The high thermodynamic efficiency of the process, above all, is difficult to explain on the basis of present theories. A model of the elementary effect in muscle contraction is proposed which aims at high thermodynamic efficiency based on an approximate equilibrium between chemical and mechanical forces throughout the transfer of free energy. The experimental results described in the literature support the assumption that chemimechanic equilibrium is approximated by a free energy transfer system based on the binding of divalent metal ions to the myosin light chains. Muscle contraction demonstrated without light chains is expected to proceed with a considerably lower efficiency. Free energy transfer systems based on the binding of ions to proteins seem to be widespread in the cell. By establishing an approximate chemimechanic equilibrium, they could facilitate biological reactions considerably and save large amounts of free energy. The concept of chemimechanic equilibrium is seen as a supplementation to the concept of chemiosmotic equilibrium introduced for the membrane transport by P. Mitchell.

  16. Ionization and pulse lethargy effects in inverse Cherenkov accelerators

    SciTech Connect

    Sprangle, P.; Hubbard, R.F.,; Hafizi, B.,

    1997-05-01

    Ionization processes limit the accelerating gradient and place an upper limit on the pulse duration of the electromagnetic driver in the inverse Cherenkov accelerator (ICA). Group velocity slippage, i.e., pulse lethargy, on the other hand, imposes a lower limit on the pulse duration. These limits are obtained for two ICA configurations in which the electromagnetic driver (e.g., laser or millimeter wave source) is propagated in a waveguide that is (i) lined with a dielectric material or (ii) filled with a neutral gas. In either configuration the electromagnetic driving field is guided and has an axial electric field with phase velocity equal to the speed of light in vacuum, c. The intensity of the driver in the ICA, and therefore the acceleration gradient, is limited by tunneling and collisional ionization effects. Partial ionization of the dielectric liner or gas can lead to significant modification of the dispersive properties of the waveguide, altering the phase velocity of the accelerating field and causing particle slippage, thus disrupting the acceleration process. An additional limitation on the pulse duration is imposed since the group velocity of the driving pulse is less than c and the pulse slips behind the accelerated electrons. Hence for sufficiently short pulses the electrons outrun the pulse, terminating the acceleration. Limitations on the driver pulse duration and accelerating gradient, due to ionization and pulse lethargy, are estimated for the two ICA configurations. Maximum accelerating gradients and pulse durations are presented for a 10 {mu}m, 1 mm, and 1 cm wavelength electromagnetic driver. The combination of ionization and pulse lethargy effects impose severe limitations on the maximum energy gain in inverse Cherenkov accelerators. {copyright} {ital 1997} {ital The American Physical Society}

  17. Plasma Flow and Equilibrium Considerations in the STX Experiment

    NASA Astrophysics Data System (ADS)

    Miller, K. E.; Slough, J. T.

    2001-10-01

    The STX experiment was operated during the construction phase of TCS, primarily to investigate the ability of the Rotating Magnetic Field (RMF) to directly form an FRC, without the usual theta pinch technology. STX utilized a 25G RMF at 350kHz to form 2m long by 0.2m radius FRCs. Plasmas were typically fully ionized deuterium with a temperature of 60 eV and a peak density of 5x10^18m-3. Axial confining fields of 100G maintained a true vacuum boundary around the plasma and allowed for the study of FRC RMF equilibrium interactions. Key findings are that the RMF drove strong radial and axial flows, produced radial profiles markedly different from those of theta pinch formed FRCs, and resulted in enhanced particle and energy confinement. Although the FRCs were usually not sustained, they evolved into an interesting mirror like configuration that also exhibited enhanced particle and energy confinement. Issues discussed include the importance of the RMF driving an azimuthal current distribution consistent with that of the FRC, possible benefits of varying the average beta condition, and potential RMF antenna length limits set by the tendency of driven axial flows to screen the RMF from the plasma.

  18. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

    SciTech Connect

    You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

    2015-11-28

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

  19. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models.

    PubMed

    You, Zhi-Qiang; Mewes, Jan-Michael; Dreuw, Andreas; Herbert, John M

    2015-11-28

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into "fast" versus "slow" polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

  20. 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