Ionization correction factors for H II regions in blue compact dwarf galaxies

NASA Astrophysics Data System (ADS)

Holovatyi, V. V.; Melekh, B. Ya.

2002-08-01

Energy distributions in the spectra of the ionizing nuclei of H II regions beyond λ <= 91.2 nm were calculated. A grid of photoionization models of 270 H II regions was constructed. The free parameters of the model grid are the hydrogen density nH in the nebular gas, filling factor, energy Lc-spectrum of ionizing nuclei, and metallicity. The chemical composition from the studies of Izotov et al. were used for model grid initialization. The integral linear spectra calculated for the photoionization models were used to determine the concentration ne, temperatures Te of electrons, and ionic concentrations n(A+i)/n(H+) by the nebular gas diagnostic method. The averaged relative ionic abundances n(A+i)/n(H+) thus calculated were used to determine new expressions for ionization correction factors which we recommend for the determination of abundances in the H II regions of blue compact dwarf galaxies.

Detection of Extraplanar Diffuse Ionized Gas in M83

NASA Astrophysics Data System (ADS)

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

2017-08-01

We present the first kinematic study of extraplanar diffuse ionized gas (eDIG) in the nearby, face-on disk galaxy M83 using optical emission-line spectroscopy from the Robert Stobie Spectrograph on the Southern African Large Telescope. We use a Markov Chain Monte Carlo method to decompose the [N II]λ λ 6548, 6583, Hα, and [S II]λ λ 6717, 6731 emission lines into H II region and diffuse ionized gas emission. Extraplanar, diffuse gas is distinguished by its emission-line ratios ([N II]λ6583/Hα ≳ 1.0) and its rotational velocity lag with respect to the disk ({{Δ }}v=-24 km s-1 in projection). With interesting implications for isotropy, the velocity dispersion of the diffuse gas, σ =96 km s-1, is a factor of a few higher in M83 than in the Milky Way and nearby, edge-on disk galaxies. The turbulent pressure gradient is sufficient to support the eDIG layer in dynamical equilibrium at an electron scale height of {h}z=1 kpc. However, this dynamical equilibrium model must be finely tuned to reproduce the rotational velocity lag. There is evidence of local bulk flows near star-forming regions in the disk, suggesting that the dynamical state of the gas may be intermediate between a dynamical equilibrium and a galactic fountain flow. As one of the first efforts to study eDIG kinematics in a face-on galaxy, this study demonstrates the feasibility of characterizing the radial distribution, bulk velocities, and vertical velocity dispersions in low-inclination systems. Based on observations made with the Southern African Large Telescope (SALT) under program 2015-2-SCI-004 (PI: E. Boettcher).

Equilibrium and thermodynamic studies on biosorption of Pb(II) onto Candida albicans biomass.

PubMed

Baysal, Zübeyde; Cinar, Ercan; Bulut, Yasemin; Alkan, Hüseyin; Dogru, Mehmet

2009-01-15

Biosorption of Pb(II) ions from aqueous solutions was studied in a batch system by using Candida albicans. The optimum conditions of biosorption were determined by investigating the initial metal ion concentration, contact time, temperature, biosorbent dose and pH. The extent of metal ion removed increased with increasing contact time, initial metal ion concentration and temperature. Biosorption equilibrium time was observed in 30min. The Freundlich and Langmuir adsorption models were used for the mathematical description of biosorption equilibrium and isotherm constants were also evaluated. The maximum biosorption capacity of Pb(II) on C. albicans was determined as 828.50+/-1.05, 831.26+/-1.30 and 833.33+/-1.12mgg(-1), respectively, at different temperatures (25, 35 and 45 degrees C). Biosorption showed pseudo second-order rate kinetics at different initial concentration of Pb(II) and different temperatures. The activation energy of the biosorption (Ea) was estimated as 59.04kJmol(-1) from Arrhenius equation. Using the equilibrium constant value obtained at different temperatures, the thermodynamic properties of the biosorption (DeltaG degrees , DeltaH degrees and DeltaS degrees ) were also determined. The results showed that biosorption of Pb(II) ions on C. albicans were endothermic and spontaneous. The optimum initial pH for Pb(II) was determined as pH 5.0. FTIR spectral analysis of Pb(II) adsorbed and unadsorbed C. albicans biomass was also discussed.

Simulating 3D Stellar Winds and Diffuse X-ray Emissions from Gases in Non-equilibrium Ionization State

NASA Astrophysics Data System (ADS)

Long, Min; Sun, Wei; Niu, Shu; Zhou, Xin; Ji, Li

2017-08-01

We investigate the physical properties of stellar winds launched in super stellar clusters (SSCs). Chandra observations have detected the presence of diffuse X-ray emission caused by hot gas from such winds in SSCs, and provide the best probe for understanding interactions between the stellar winds and the complex nursery regions. However, the details of the origin of cluster winds, the mass and energy ejection, the formation of diffuse X-ray emission, the fraction of winds contribution to the distribution of diffuse X-ray emission still remain unclear. We developed a multiphysics hydrodynamic model including self-gravity, head conduction and performed 3D simulations with an unprecedented grid resolution due to adaptive mesh refinement (AMR) capability in a case study of NGC 3603, as a supplement to the analysis of the archived 500 ks Chandra observations. The synthetic emission will be computed by assuming the gas in a non-equilibrium ionization (NEI) state indicated by Chandra observation, not coronal ionization equilibrium (CIE) that most works assumed, by using a customized NEI calculation module based on AtomDB. The results will be compared to the Chandra observations.

Improved partition equilibrium model for predicting analyte response in electrospray ionization mass spectrometry.

PubMed

Du, Lihong; White, Robert L

2009-02-01

A previously proposed partition equilibrium model for quantitative prediction of analyte response in electrospray ionization mass spectrometry is modified to yield an improved linear relationship. Analyte mass spectrometer response is modeled by a competition mechanism between analyte and background electrolytes that is based on partition equilibrium considerations. The correlation between analyte response and solution composition is described by the linear model over a wide concentration range and the improved model is shown to be valid for a wide range of experimental conditions. The behavior of an analyte in a salt solution, which could not be explained by the original model, is correctly predicted. The ion suppression effects of 16:0 lysophosphatidylcholine (LPC) on analyte signals are attributed to a combination of competition for excess charge and reduction of total charge due to surface tension effects. In contrast to the complicated mathematical forms that comprise the original model, the simplified model described here can more easily be employed to predict analyte mass spectrometer responses for solutions containing multiple components. Copyright (c) 2008 John Wiley & Sons, Ltd.

Employment of Both Mn I and II Transitions to Determine the Abundance Trend and Ionization Balance in Three Stellar Evolutionary Classes

NASA Astrophysics Data System (ADS)

Sobeck, Jennifer; Den Hartog, B.; Lawler, J.; Sneden, C.

2010-01-01

Several prior investigations have repeatedly found that Manganese is under-abundant with respect to solar in metal-deficient stars. However a recent study, which employed a non-LTE approach/methodology, found that the [Mn/Fe] abundance ratio remains solar in the range -2.5 < [Fe/H] < 0 (results which stand in direct contrast to previous data). We will re-determine the [Mn/Fe] ratio over a large range of metallicity in a statistically significant sample consisting of stars from three evolutionary classes (dwarf, turnoff, and giant). We will employ new laboratory work (reported also at this meeting) to analyze the transitions of *both* the neutral (Mn I) and the first-ionized species (Mn II) in stellar spectra. We intend to determine the ionization equilibrium within each star and identify departures from LTE in each stellar group. We will explore the Mn abundance trend with metallicity and provide insight into its astrophysical origin (with special emphasis on the explosive nucleosynthetic contribution).

Ionization equilibrium and radiative energy loss rates for C, N, and O ions in low-density plasmas

NASA Technical Reports Server (NTRS)

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

1978-01-01

The results of calculations of the ionization equilibrium and radiative energy loss rates for C, N and O ions in low-density plasmas are presented for electron temperatures in the range 10,000-10,000,000 K. The ionization structure is determined by using the steady-state corona model, in which electron impact ionization from the ground states is balanced by direct radiative and dielectronic recombination. With an improved theory, detailed calculations are carried out for the dielectronic recombination rates in which account is taken of all radiative and autoionization processes involving a single-electron electric-dipole transition of the recombining ion. The radiative energy loss processes considered are electron-impact excitation of resonance line emission, direct radiative recombination, dielectronic recombination, and electron-ion bremsstrahlung. For all three elements, resonance line emission resulting from 2s-2p transitions produces a broad maximum in the energy loss rate near 100,000 K.

On Local Ionization Equilibrium and Disk Winds in QSOs

NASA Astrophysics Data System (ADS)

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° ("edge on"). 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 bh = 109 M ⊙ and L disk = 1047 erg s-1.

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.

A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

NASA Astrophysics Data System (ADS)

Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K. Y.; Cheng, Sixue; Zou, Tao; Zhuo, Renxi

2005-03-01

In this paper, a novel multiphysic mathematical model is developed for simulation of swelling equilibrium of ionized temperature sensitive hydrogels with the volume phase transition, and it is termed the multi-effect-coupling thermal-stimulus (MECtherm) model. This model consists of the steady-state Nernst-Planck equation, Poisson equation and swelling equilibrium governing equation based on the Flory's mean field theory, in which two types of polymer-solvent interaction parameters, as the functions of temperature and polymer-network volume fraction, are specified with or without consideration of the hydrogen bond interaction. In order to examine the MECtherm model consisting of nonlinear partial differential equations, a meshless Hermite-Cloud method is used for numerical solution of one-dimensional swelling equilibrium of thermal-stimulus responsive hydrogels immersed in a bathing solution. The computed results are in very good agreements with experimental data for the variation of volume swelling ratio with temperature. The influences of the salt concentration and initial fixed-charge density are discussed in detail on the variations of volume swelling ratio of hydrogels, mobile ion concentrations and electric potential of both interior hydrogels and exterior bathing solution.

Observed departures from LTE ionization equilibrium in late-type giants

NASA Technical Reports Server (NTRS)

Ramsey, L. W.

1977-01-01

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 improvedmore » ionization energy of 132971.02 ± 0.12 cm{sup –1} (16.486305 ± 0.000015 eV)« less

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.

Galactic Abundance Gradients fro IR Fine Strucuture LInes in Compact H II regions

NASA Technical Reports Server (NTRS)

Afflerbach, A.; Churchwell, E.; Werner, M. W.

1996-01-01

We present observations of the [S III]19(micro)m, [O III]52 and 88(micro)m, and [N III]57(micro)m lines toward 18 compact and ultracompact (UC) H II regions. These data were combined with data from the literature and high-resolution radio continuum maps to construct detailed statistical equilibrium and ionization equilibrium models of 34 compact H II regions located at galactocentric distances (Dg)0-12kpc. Our models simultaneously fit the observed IR fine-structure lines and high-resolution radio continuum maps.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lapenna, E.; Mucciarelli, A.; Lanzoni, B.

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 andmore » 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.« less

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.

Dense clumps of ionized gas near Pi Scorpii, as revealed by the fine-structure excitation of N II

NASA Technical Reports Server (NTRS)

Bertoldi, Frank; Jenkins, Edward B.

1992-01-01

The column density and the emission of the ionized gas along the line of sight toward the B1 V + B2 V binary star Pi Sco are measured on the basis of the fine-structure absorption lines of the ground state N II. It is found that the bulk of this ionized gas must be clumped on a length scale of 0.025 pc, which is far smaller than the observed size of the diffuse H II region surrounding Pi Sco of about 6 pc. The observed column density of S III toward Pi Sco yields an upper limit on the distance of the absorbing, clumped gas from the star of less than about 0.02 pc, assuming that both the N II and S III absorption arise from the same gas. The possibility that the ionized gas originates from a photoevaporating circumstellar disk directly surrounding Pi Sco is excluded, since such a disk would have an unusual size of order 0.025 pc and would have had to survive for the estimated age of Pi Sco of 5-8 Myr. The derived mean density of the clumped gas is of order 40/cu cm, so that the gas is at a pressure that far exceeds the mean pressure in the H II region. It is concluded that the ionized gas could originate from evaporation flows off a cluster of compact neutral objects that evaporate due to the ionizing radiation of Pi Sco.

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

Metals in the circumgalactic medium are out of ionization equilibrium due to fluctuating active galactic nuclei

NASA Astrophysics Data System (ADS)

Segers, Marijke C.; Oppenheimer, Benjamin D.; Schaye, Joop; Richings, Alexander J.

2017-10-01

We study the effect of a fluctuating active galactic nucleus (AGN) on the abundance of circumgalactic O VI in galaxies selected from the Evolution and Assembly of GaLaxies and their Environments simulations. We follow the time-variable O VI abundance in post-processing around four galaxies - two at z = 0.1 with stellar masses of M* ˜ 1010 M⊙ and M* ˜ 1011 M⊙, and two at z = 3 with similar stellar masses - out to impact parameters of twice their virial radii, implementing a fluctuating central source of ionizing radiation. Due to delayed recombination, the AGN leave significant 'AGN proximity zone fossils' around all four galaxies, where O VI and other metal ions are out of ionization equilibrium for several megayears after the AGN fade. The column density of O VI is typically enhanced by ≈0.3-1.0 dex at impact parameters within 0.3Rvir, and by ≈0.06-0.2 dex at 2Rvir, thereby also enhancing the covering fraction of O VI above a given column density threshold. The fossil effect tends to increase with increasing AGN luminosity, and towards shorter AGN lifetimes and larger AGN duty cycle fractions. In the limit of short AGN lifetimes, the effect converges to that of a continuous AGN with a luminosity of (fduty/100 per cent) times the AGN luminosity. We also find significant fossil effects for other metal ions, where low-ionization state ions are decreased (Si IV, C IV at z = 3) and high-ionization state ions are increased (C IV at z = 0.1, Ne viii, Mg x). Using observationally motivated AGN parameters, we predict AGN proximity zone fossils to be ubiquitous around M* ˜ 1010-11 M⊙ galaxies, and to affect observations of metals in the circumgalactic medium at both low and high redshifts.

Aerospace Applications of Non-Equilibrium Plasma

NASA Technical Reports Server (NTRS)

Blankson, Isaiah M.

2016-01-01

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

ESI-MS measurements for the equilibrium constants of copper(II)-insulin complexes.

PubMed

Gülfen, Mustafa; Özdemir, Abdil; Lin, Jung-Lee; Chen, Chung-Hsuan

2018-06-01

Trace elements regulate many biological reactions in the body. Copper(II) is known as one of trace elements and capable of binding to proteins. Insulin is a blood glucose-lowering peptide hormone and it is secreted by the pancreatic β-cells. In this study, Cu(II)-insulin complexes were investigated by using ESI-MS method. Insulin molecule gives ESI-MS peaks at +4, +5, +6 and +7 charged states. Cu(II)-insulin complexes can be monitored and quantified on the ESI-MS spectra as the shifted peaks according to insulin peaks. The solutions of Cu(II)-insulin complexes at different pHs and mole ratios of Cu(II) ions to insulin molecule were measured on the ESI-MS. The highest complex formation ratio for Cu(II)-insulin were found at pH 7. The multiple bindings of Cu(II) ions to insulin molecule was observed. The formation equilibrium constants of Cu(II)-insulin complexes were calculated as Kf 1 : 3.34 × 10 4 , Kf 2 : 2.99 × 10 4 , Kf 3 : 7.00 × 10 3 and Kf 4 :2.86 × 10 3 . The specific binding property of Cu(II) ions was controlled by using different spray ion sources including electrospray and nano-electrospray. The binding property of Cu(II) also investigated by MS/MS fragmentation. It was concluded from the ESI-MS measurements that Cu(II) ion has a high affinity to insulin molecules to form stable complexes. Copyright © 2018 Elsevier B.V. All rights reserved.

Theoretical basal Ca II fluxes for late-type stars: results from magnetic wave models with time-dependent ionization and multi-level radiation treatments

NASA Astrophysics Data System (ADS)

Fawzy, Diaa E.; Stȩpień, K.

2018-03-01

In the current study we present ab initio numerical computations of the generation and propagation of longitudinal waves in magnetic flux tubes embedded in the atmospheres of late-type stars. The interaction between convective turbulence and the magnetic structure is computed and the obtained longitudinal wave energy flux is used in a self-consistent manner to excite the small-scale magnetic flux tubes. In the current study we reduce the number of assumptions made in our previous studies by considering the full magnetic wave energy fluxes and spectra as well as time-dependent ionization (TDI) of hydrogen, employing multi-level Ca II atomic models, and taking into account departures from local thermodynamic equilibrium. Our models employ the recently confirmed value of the mixing-length parameter α=1.8. Regions with strong magnetic fields (magnetic filling factors of up to 50%) are also considered in the current study. The computed Ca II emission fluxes show a strong dependence on the magnetic filling factors, and the effect of time-dependent ionization (TDI) turns out to be very important in the atmospheres of late-type stars heated by acoustic and magnetic waves. The emitted Ca II fluxes with TDI included into the model are decreased by factors that range from 1.4 to 5.5 for G0V and M0V stars, respectively, compared to models that do not consider TDI. The results of our computations are compared with observations. Excellent agreement between the observed and predicted basal flux is obtained. The predicted trend of Ca II emission flux with magnetic filling factor and stellar surface temperature also agrees well with the observations but the calculated maximum fluxes for stars of different spectral types are about two times lower than observations. Though the longitudinal MHD waves considered here are important for chromosphere heating in high activity stars, additional heating mechanism(s) are apparently present.

Can the Lyman Continuum Leaked Out of H II Regions Explain Diffuse Ionized Gas?

NASA Astrophysics Data System (ADS)

Seon, Kwang-Il

2009-09-01

We present an attempt to explain the diffuse Hα emission of a face-on galaxy M 51 with the "standard" photoionization model, in which the Lyman continuum (Lyc) escaping from H II regions propagates large distances into the diffuse interstellar medium (ISM). The diffuse Hα emission of M 51 is analyzed using thin slab models and exponential disk models in the context of the "on-the-spot" approximation. The scale height of the ionized gas needed to explain the diffuse Hα emission with the scenario is found to be of the order of ~1-2 kpc, consistent with those of our Galaxy and edge-on galaxies. The model also provides a vertical profile, when the galaxy is viewed edge-on, consisting of two-exponential components. However, it is found that an incredibly low absorption coefficient of κ0 ≈ 0.4-0.8 kpc-1 at the galactic plane, or, equivalently, an effective cross section as low as σeff ~ 10-5 of the photoionization cross section at 912 Å is required to allow the stellar Lyc photons to travel through the H I disk. Such a low absorption coefficient is out of accord with the properties of the ISM. Furthermore, we found that even the model that has the diffuse ionized gas (DIG) phase only and no H I gas phase shows highly concentrated Hα emissions around H II regions, and can account for only lsim26% of the Hα luminosity of the DIG. This result places a strong constraint on the ionizing source of the DIG. We also report that the Hα intensity distribution functions not only of the DIG, but also of H II regions in M 51, appear to be lognormal.

[C ii] 158 μm line detection of the warm ionized medium in the Scutum-Crux spiral arm tangency

NASA Astrophysics Data System (ADS)

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

2012-05-01

Context. The Herschel HIFI GOT C+ Galactic plane [C ii] spectral survey has detected strong emission at the spiral arm tangencies. Aims: We use the unique viewing geometry of the Scutum-Crux (S-C) tangency nearl = 30° to detect the warm ionized medium (WIM) component traced by [CII] and to study the effects of spiral density waves on Interstellar Medium (ISM) gas. Methods: We compare [C ii] velocity features with ancillary H i, 12CO and 13CO data near tangent velocities at each longitude to separate the cold neutral medium and the warm neutral + ionized components in the S-C tangency, then we identify [C ii] emission at the highest velocities without any contribution from 12CO clouds, as WIM. Results: We present the GOT C+ results for the S-C tangency. We interpret the diffuse and extended excess [C ii] emission at and above the tangent velocities as arising in the electron-dominated warm ionized gas in the WIM. We derive an electron density in the range of 0.2-0.9 cm-3 at each longitude, a factor of several higher than the average value from Hα and pulsar dispersion. Conclusions: We interpret the excess [C ii] in S-C tangency as shock compression of the WIM induced by the spiral density waves. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

Flux line non-equilibrium relaxation kinetics following current quenches in disordered type-II superconductors

NASA Astrophysics Data System (ADS)

Chaturvedi, Harshwardhan; Assi, Hiba; Dobramysl, Ulrich; Pleimling, Michel; Täuber, Uwe

We investigate the relaxation dynamics of magnetic vortex lines in disordered type-II superconductors following rapid changes in the external driving current by means of Langevin molecular dynamics simulations for an elastic line model. A system of driven interacting flux lines in a sample with randomly distributed point pinning centers is initially relaxed to a moving non-equilibrium steady state. The current is then instantaneously decreased, such that the final stationary state resides either still in the moving regime, or in the pinned Bragg glass phase. The ensuing non-equilibrium relaxation kinetics of the vortices is studied in detail by measuring the mean flux line gyration radius and the two-time transverse height autocorrelation function. The latter allows us to investigate the physical aging properties for quenches from the moving into the glassy phase, and to compare with non-equilibrium relaxation features obtained with different initial configurations. Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-FG02-09ER46613.

DEPARTURE OF HIGH-TEMPERATURE IRON LINES FROM THE EQUILIBRIUM STATE IN FLARING SOLAR PLASMAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kawate, T.; Keenan, F. P.; Jess, D. B., E-mail: t.kawate@qub.ac.uk

2016-07-20

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 atmore » 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.« less

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.

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

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

PubMed

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

2006-01-01

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

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.

The classical D-type expansion of spherical H II regions

NASA Astrophysics Data System (ADS)

Williams, Robin J. R.; Bibas, Thomas G.; Haworth, Thomas J.; Mackey, Jonathan

2018-06-01

Recent numerical and analytic work has highlighted some shortcomings in our understanding of the dynamics of H II region expansion, especially at late times, when the H II region approaches pressure equilibrium with the ambient medium. Here we reconsider the idealized case of a constant radiation source in a uniform and spherically symmetric ambient medium, with an isothermal equation of state. A thick-shell solution is developed which captures the stalling of the ionization front and the decay of the leading shock to a weak compression wave as it escapes to large radii. An acoustic approximation is introduced to capture the late-time damped oscillations of the H II region about the stagnation radius. Putting these together, a matched asymptotic equation is derived for the radius of the ionization front which accounts for both the inertia of the expanding shell and the finite temperature of the ambient medium. The solution to this equation is shown to agree very well with the numerical solution at all times, and is superior to all previously published solutions. The matched asymptotic solution can also accurately model the variation of H II region radius for a time-varying radiation source.

The Gibbs Variational Method in Thermodynamics of Equilibrium Plasma: 1. General Conditions of Equilibrium and Stability for One-Component Charged Gas

DTIC Science & Technology

2018-04-01

systems containing ionized gases. 2. Gibbs Method in the Integral Form As per the Gibbs general methodology , based on the concept of heterogeneous...ARL-TR-8348 ● APR 2018 US Army Research Laboratory The Gibbs Variational Method in Thermodynamics of Equilibrium Plasma: 1...ARL-TR-8348 ● APR 2018 US Army Research Laboratory The Gibbs Variational Method in Thermodynamics of Equilibrium Plasma: 1. General

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.

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.

Equilibrium vortex structures of type-II/1 superconducting films with washboard pinning landscapes

NASA Astrophysics Data System (ADS)

Wei, C. A.; Xu, X. B.; Xu, X. N.; Wang, Z. H.; Gu, M.

2018-05-01

We numerically study the equilibrium vortex structures of type-II/1 superconducting films with a periodic quasi-one-dimensional corrugated substrate. We show as a function of substrate period and pinning strength that, the vortex system displays a variety of vortex phases including arrays consisted of vortex clumps with different morphologies, ordered vortex stripes parallel and perpendicular to pinning troughs, and ordered one-dimensional vortex chains. Our simulations are helpful in understanding the structural modulations for extensive systems with both competing interactions and competing periodicities.

Study of the molecular and ionized gas in a possible precursor of an ultra-compact H II region

NASA Astrophysics Data System (ADS)

Ortega, M. E.; Paron, S.; Giacani, E.; Celis Peña, M.; Rubio, M.; Petriella, A.

2017-10-01

-like morphology of the source at the Ks band, and the lack of evidence of collimated jets in the near-infrared spectrum, one interpretation for the nature of the source, is that the Red MSX source G052.9221-00.4892 could be transiting a hyper-compact H II region phase, in which the young central star emits winds and ionizing radiation through the poles. On the other hand, according to a comparison between the Brγ intensity and the radio flux density at 6 GHz, the source would be in a more evolved evolutionary stage of an optically thin UC H II region in photoionization equilibrium. If this is the case, from the radio continuum emission, we can conjecture upon the spectral type of its exciting star which would be a B0.5V.

Equilibrium Droplets on Deformable Substrates: Equilibrium Conditions.

PubMed

Koursari, Nektaria; Ahmed, Gulraiz; Starov, Victor M

2018-05-15

Equilibrium conditions of droplets on deformable substrates are investigated, and it is proven using Jacobi's sufficient condition that the obtained solutions really provide equilibrium profiles of both the droplet and the deformed support. At the equilibrium, the excess free energy of the system should have a minimum value, which means that both necessary and sufficient conditions of the minimum should be fulfilled. Only in this case, the obtained profiles provide the minimum of the excess free energy. The necessary condition of the equilibrium means that the first variation of the excess free energy should vanish, and the second variation should be positive. Unfortunately, the mentioned two conditions are not the proof that the obtained profiles correspond to the minimum of the excess free energy and they could not be. It is necessary to check whether the sufficient condition of the equilibrium (Jacobi's condition) is satisfied. To the best of our knowledge Jacobi's condition has never been verified for any already published equilibrium profiles of both the droplet and the deformable substrate. A simple model of the equilibrium droplet on the deformable substrate is considered, and it is shown that the deduced profiles of the equilibrium droplet and deformable substrate satisfy the Jacobi's condition, that is, really provide the minimum to the excess free energy of the system. To simplify calculations, a simplified linear disjoining/conjoining pressure isotherm is adopted for the calculations. It is shown that both necessary and sufficient conditions for equilibrium are satisfied. For the first time, validity of the Jacobi's condition is verified. The latter proves that the developed model really provides (i) the minimum of the excess free energy of the system droplet/deformable substrate and (ii) equilibrium profiles of both the droplet and the deformable substrate.

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

PubMed

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

2016-11-01

The adsorption capacity of an activated carbon - calcium alginate composite material (ACAA-Ca) has been tested with the aim of developing a new and more efficient adsorbent material to remove Pb(II) ion from aqueous solution. The study was carried out at pH=5, in NaCl medium and in the ionic strength range 0.1-0.75molL -1 . Differential Pulse Anodic Stripping Voltammetry (DP-ASV) technique was used to check the amount of Pb(II) ion removed during kinetic and equilibrium experiments. Different kinetic (pseudo first order, pseudo second order and Vermuelen) and equilibrium (Langmuir and Freundlich) models were used to fit experimental data, and were statistically compared. Calcium alginate (AA-Ca) improves the adsorption capacity (q m ) of active carbon (AC) in the ACAA-Ca adsorbent material (e.g., q m =15.7 and 10.5mgg -1 at I=0.25molL -1 , for ACAA-Ca and AC, respectively). SEM-EDX and thermogravimetric (TGA) measurements were carried out in order to characterize the composite material. The results of the speciation study on the Pb(II) solution and of the characterization of the ACAA-Ca and of the pristine AA-Ca and AC were evaluated in order to explain the specific contribution of AC and AA-Ca to the adsorption of the metal ion. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

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.

Theoretical model of the plasma edge. II. Transport along the open field lines of a magnetic island belt associated with the ionization instability

NASA Astrophysics Data System (ADS)

Rogister, A. L. M.; Hasselberg, G.

1993-12-01

For pt.I, see ibid, p.1799-1816 (1993). To the ionization instability described in Part I correspond odd phi, even br eigenfunctions leading, as for the tearing mode, to a magnetic island belt centred about the rational magnetic surface q = m < qa (q is the safety factor; m is the mode number). Plasma dumping on the target plates, along the island magnetic field lines, releases the neutrals, the ionization of which drives the instability. This self-consistent model of the plasma edge yields the electron temperature on the last closed equilibrium magnetic surface and the particle confinement time, which are compared with the values measured in TEXTOR and other tokamaks; interestingly, the value obtained for τp is very reminiscent of the heuristic energy confinement time expression proposed by Kaye and Goldston(1985). Theory also predicts an equilibrium bifurcation at high power, corresponding to a reduction, and then a collapse, of the island width. The hypothesis that the (L mode) island belt be hooked up to the machine's structure is briefly discussed

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.

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

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

PubMed

Güzel, Fuat; Yakut, Hakan; Topal, Giray

2008-05-30

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

Reversible uptake of molecular oxygen by heteroligand Co(II)-L-α-amino acid-imidazole systems: equilibrium models at full mass balance.

PubMed

Pająk, Marek; Woźniczka, Magdalena; Vogt, Andrzej; Kufelnicki, Aleksander

2017-09-19

The paper examines Co(II)-amino acid-imidazole systems (where amino acid = L-α-amino acid: alanine, asparagine, histidine) which, when in aqueous solutions, activate and reversibly take up dioxygen, while maintaining the structural scheme of the heme group (imidazole as axial ligand and O 2 uptake at the sixth, trans position) thus imitating natural respiratory pigments such as myoglobin and hemoglobin. The oxygenated reaction shows higher reversibility than for Co(II)-amac systems with analogous amino acids without imidazole. Unlike previous investigations of the heteroligand Co(II)-amino acid-imidazole systems, the present study accurately calculates all equilibrium forms present in solution and determines the [Formula: see text]equilibrium constants without using any simplified approximations. The equilibrium concentrations of Co(II), amino acid, imidazole and the formed complex species were calculated using constant data obtained for analogous systems under oxygen-free conditions. Pehametric and volumetric (oxygenation) studies allowed the stoichiometry of O 2 uptake reaction and coordination mode of the central ion in the forming oxygen adduct to be determined. The values of dioxygen uptake equilibrium constants [Formula: see text] were evaluated by applying the full mass balance equations. Investigations of oxygenation of the Co(II)-amino acid-imidazole systems indicated that dioxygen uptake proceeds along with a rise in pH to 9-10. The percentage of reversibility noted after acidification of the solution to the initial pH ranged within ca 30-60% for alanine, 40-70% for asparagine and 50-90% for histidine, with a rising tendency along with the increasing share of amino acid in the Co(II): amino acid: imidazole ratio. Calculations of the share of the free Co(II) ion as well as of the particular complex species existing in solution beside the oxygen adduct (regarding dioxygen bound both reversibly and irreversibly) indicated quite significant values for the

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…

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.

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.; Zeng Li, Jin; 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.

Transport coefficients in high-temperature ionized air flows with electronic excitation

NASA Astrophysics Data System (ADS)

Istomin, V. A.; Oblapenko, G. P.

2018-01-01

Transport coefficients are studied in high-temperature ionized air mixtures using the modified Chapman-Enskog method. The 11-component mixture N2/N2+/N /N+/O2/O2+/O /O+/N O /N O+/e- , taking into account the rotational and vibrational degrees of freedom of molecules and electronic degrees of freedom of both atomic and molecular species, is considered. Using the PAINeT software package, developed by the authors of the paper, in wide temperature range calculations of the thermal conductivity, thermal diffusion, diffusion, and shear viscosity coefficients for an equilibrium ionized air mixture and non-equilibrium flow conditions for mixture compositions, characteristic of those in shock tube experiments and re-entry conditions, are performed. For the equilibrium air case, the computed transport coefficients are compared to those obtained using simplified kinetic theory algorithms. It is shown that neglecting electronic excitation leads to a significant underestimation of the thermal conductivity coefficient at temperatures higher than 25 000 K. For non-equilibrium test cases, it is shown that the thermal diffusion coefficients of neutral species and the self-diffusion coefficients of all species are strongly affected by the mixture composition, while the thermal conductivity coefficient is most strongly influenced by the degree of ionization of the flow. Neglecting electronic excitation causes noticeable underestimation of the thermal conductivity coefficient at temperatures higher than 20 000 K.

CIFOG: Cosmological Ionization Fields frOm Galaxies

NASA Astrophysics Data System (ADS)

Hutter, Anne

2018-03-01

CIFOG is a versatile MPI-parallelised semi-numerical tool to perform simulations of the Epoch of Reionization. From a set of evolving cosmological gas density and ionizing emissivity fields, it computes the time and spatially dependent ionization of neutral hydrogen (HI), neutral (HeI) and singly ionized helium (HeII) in the intergalactic medium (IGM). The code accounts for HII, HeII, HeIII recombinations, and provides different descriptions for the photoionization rate that are used to calculate the residual HI fraction in ionized regions. This tool has been designed to be coupled to semi-analytic galaxy formation models or hydrodynamical simulations. The modular fashion of the code allows the user to easily introduce new descriptions for recombinations and the photoionization rate.

Flash Spectroscopy: Emission Lines From the Ionized Circumstellar Material Around 10-Day-Old Type II Supernovae

NASA Technical Reports Server (NTRS)

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

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

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

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

PubMed

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

2011-10-15

The removal of Zn(II) ions from aqueous solution was studied using natural and MnO(2) modified diatomite samples at different temperatures. The linear Langmuir, Freundlich and Dubinin-Radushkevich (D-R) adsorption equations were applied to describe the equilibrium isotherms. From the D-R model, the mean adsorption energy was calculated as >8 kJ mol(-1), indicating that the adsorption of Zn(II) onto diatomite and Mn-diatomite was physically carried out. In addition, the pseudo-first-order, pseudo-second-order and intraparticle diffusion models were used to determine the kinetic data. The experimental data were well fitted by the pseudo-second-order kinetic model. Thermodynamic parameters such as the enthalpy (ΔH(0)), Gibbs' free energy (ΔG(0)) and entropy (ΔS(0)) were calculated for natural and MnO(2) modified diatomite. These values showed that the adsorption of Zn(II) ions onto diatomite samples was controlled by a physical mechanism and occurred spontaneously. Copyright © 2011 Elsevier B.V. All rights reserved.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paron, S.; Ortega, M. E.; Dubner, G.

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 themore » 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.« less

Equilibrium and kinetic modelling of cadmium (II) biosorption by Dried Biomass Aphanothece sp. from aqueous phase

NASA Astrophysics Data System (ADS)

Awalina; Harimawan, A.; Haryani, G. S.; Setiadi, T.

2017-05-01

The Biosorption of cadmium (II) ions on dried biomass of Aphanothece sp.which previously grown in a photobioreactor system with atmospheric carbon dioxide fed input, was studied in a batch system with respect to initial pH, biomass concentration, contact time, and temperature. The biomass exhibited the highest cadmium (II) uptake capacity at 30ºC, initial pH of 8.0±0.2 in 60 minute and initial cadmium (II) ion concentration of 7.76 mg/L. Maximum biosorption capacities were 16.47 mg/g, 54.95 mg/g and 119.05 mg/g at range of initial cadmium (II) 0.96-3.63 mg/L, 1.99-8.10 mg/L and 6.48-54.38 mg/L, respectively. Uptake kinetics follows the pseudo-second order model while equilibrium is best described by Langmuir isotherm model. Isotherms have been used to determine thermodynamic parameter process (free energy change, enthalpy change and entropy change). FTIR analysis of microalgae biomass revealed the presence of amino acids, carboxyl, hydroxyl, sulfhydryl and carbonyl groups, which are responsible for biosorption of metal ions. During repeated sorption/desorption cycles, the ratio of Cd (II) desorption to biosorption decreased from 81% (at first cycle) to only 27% (at the third cycle). Nevertheless, due to its higher biosorption capability than other adsorbent, Aphanothece sp appears to be a good biosorbent for removing metal Cd (II) ions from aqueous phase.

Flux Jacobian Matrices For Equilibrium Real Gases

NASA Technical Reports Server (NTRS)

Vinokur, Marcel

1990-01-01

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

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

DOE PAGES

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

2016-02-02

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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 M R = -18.2 belong to the FI or BF groups, and that all FI events peaked above M R = -17.6 mag, significantly brighter than average SNe II.« less

The Activity-Related Ionization in Carbonic Anhydrase

PubMed Central

Appleton, David W.; Sarkar, Bibudhendra

1974-01-01

The catalytic activity of carbonic anhydrase (EC 4.2.1.1) is linked to the ionization of a group in close proximity to the essential zinc ion. Studies have been undertaken to delineate the ionizations germane to the active-site chelate system. Several imidazole ligand systems were studied in order to approach a representative chelate. The simplest involved the complexation of Zn(II) by imidazole and by N-methylimidazole. As well, two bidentate systems, Zn(II)-4,4′-bis-imidazoylmethane and Co(II)-cyclic-L-histidyl-L-histidine were investigated. It was found that in a species containing metal-bound water and imidazole coordinated by means of the pyridinium nitrogen, the most acidic group was the pyrrole N-H in the imidazole ring. By the use of N-methylimidazole, the pKa of a metal-bound water molecule in a tri-imidazole ligand field was found to be 9.1. Noting the preference for labilization of the pyrrole hydrogen, the catalytic features of carbonic anhydrase are reexamined assuming that the pKenz is associated with the N-H ionization, and not with the ionization of metal-bound water. PMID:4209558

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.

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.

Heating of the solar chromosphere by ionization pumping

NASA Technical Reports Server (NTRS)

Lindsey, C. A.

1981-01-01

A new theory is proposed to explain the heating of the solar chromosphere, and possibly the corona, by the dissipation of hydrodynamic compression waves. The basis of the dissipative mechanism, here referred to as ionization pumping, is hysteresis caused by irreversible relaxation of the chromospheric medium to ionization equilibrium following pressure perturbations. In the middle chromosphere, where hydrogen is partially ionized, it is shown that ionization pumping will cause strong dissipation of waves whose periods are 200s or less. This could cause heating of the chromosphere sufficient to compensate for the radiative losses. The mechanism retains a high efficiency for waves of arbitrarily small amplitude and, thus, can be more efficient than shock dissipation for small perturbations in pressure. The formation of shocks therefore is not required for the dissipation of waves whose periods are several minutes or less.

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…

Ionization of elements in medium power capacitively coupled argon plasma torch with single and double ring electrodes.

PubMed

Ponta, Michaela; Frentiu, Maria; Frentiu, Tiberiu

2012-06-01

A medium power, low Ar consumption capacitively coupled plasma torch (275 W, 0.4 L min-1) with molybdenum tubular electrode and single or two ring electrodes in non-local thermodynamic equilibrium (LTE) was characterized with respect to its ability to achieve element ionization. Ionization degrees of Ca, Mg, Mn and Cd were determined from ionic-to-atomic emission ratio and ionization equilibrium according to Saha's equation. The ionization degrees resulted from the Saha equation were higher by 9-32% than those obtained from spectral lines intensity in LTE regime and closer to reality. A linear decrease of ionization with increase of ionization energy of elements was observed. Plasma torch with two ring electrodes provided higher ionization degrees (85 ± 7% Ca, 79 ± 7% Mn, 80 ± 7% Mg and 73 ± 8% Cd) than those in single ring arrangement (70 ± 6% Ca, 57 ± 7% Mn, 57 ± 8% Mg and 42 ± 9% Cd). The Ca ionization decreased linearly by up to 79 ± 4% and 53 ± 6% in plasma with two ring electrodes and single ring respectively in the presence of up to 400 µg mL-1 Na as interferent. The studied plasma was effective in element ionization and could be a potential ion source in mass spectrometry.

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.

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

PubMed

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

2008-06-15

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

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

VizieR Online Data Catalog: Energy levels of ionized vanadium (V II) (Saloman+, 2017)

NASA Astrophysics Data System (ADS)

Saloman, E. B.; Kramida, A.

2017-09-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V II, have been compiled. The experimentally derived energy levels belong to the configurations 3d4, 3d3ns (n=4,5,6), 3d3np, and 3d3nd (n=4,5), 3d34f, 3d24s2, and 3d24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Lande g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60)cm-1, corresponding to 14.634(7)eV. This is 130cm-1 higher than the previously recommended value from Iglesias+ (1988, Publ. Inst. Opt. Madrid 47 1). (3 data files).

Opacity Variations in the Ionized Absorption in NGC 3783: A Compact Absorber

NASA Astrophysics Data System (ADS)

Krongold, Y.; Nicastro, F.; Brickhouse, N. S.; Elvis, M.; Mathur, S.

2005-04-01

We show that the Fe VII-Fe XII M-shell unresolved transition array (UTA) in the Chandra HETGS observation of NGC 3783 (900 ks) clearly changes in opacity on a timescale of 31 days, responding to a factor of ~2 change in the ionizing continuum. The opacity variation is observed at a level >10 σ. There is also evidence for variability in the O VI K edge (at ~3 σ). The observed changes are consistent with the gas producing these absorption features (i.e., the low-ionization component) being close to photoionization equilibrium. The gas responsible for the Fe XVII-Fe XXII L-shell absorption (i.e., the high-ionization component) does not seem to be responding as expected in photoionization equilibrium. The observed change in opacity for the UTA implies a density >1×104 cm-3, thus locating the gas within 6 pc of the X-ray source. The scenario in which the gas is composed of a continuous radial range of ionization structures is ruled out, as in such scenario, no opacity variations are expected. Rather, the structure of the absorber is likely composed of heavily clumped gas.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poklonski, N. A., E-mail: poklonski@bsu.by; Vyrko, S. A.; Poklonskaya, O. N.

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 atomsmore » 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 T{sub j} 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 T{sub j}, 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 3T{sub j}/2) as a function of their concentration N is calculated. The estimates of the extrapolated into the temperature region close to T{sub j} 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

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.

Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

PubMed

Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro

2011-01-21

A series of paddlewheel diruthenium(ii, ii) complexes with various fluorine-substituted benzoate ligands were isolated as THF adducts and structurally characterized: [Ru(2)(F(x)PhCO(2))(4)(THF)(2)] (F(x)PhCO(2)(-) = o-fluorobenzoate, o-F; m-fluorobenzoate, m-F; p-fluorobenzoate, p-F; 2,6-difluorobenzoate, 2,6-F(2); 3,4-difluorobenzoate, 3,4-F(2); 3,5-difluorobenzoate, 3,5-F(2); 2,3,4-trifluorobenzoate, 2,3,4-F(3); 2,3,6-trifluorobenzoate, 2,3,6-F(3); 2,4,5-trifluorobenzoate, 2,4,5-F(3); 2,4,6-trifluorobenzoate, 2,4,6-F(3); 3,4,5-trifluorobenzoate, 3,4,5-F(3); 2,3,4,5-tetrafluorobenzoate, 2,3,4,5-F(4); 2,3,5,6-tetrafluorobenzoate, 2,3,5,6-F(4); pentafluorobenzoate, F(5)). By adding fluorine atoms on the benzoate ligands, it was possible to tune the redox potential (E(1/2)) for [Ru(2)(II,II)]/[Ru(2)(II,III)](+) over a wide range of potentials from -40 mV to 350 mV (vs. Ag/Ag(+) in THF). 2,3,6-F(3), 2,3,4,5-F(4), 2,3,5,6-F(4) and F(5) were relatively air-stable compounds even though they are [Ru(2)(II,II)] species. The redox potential in THF was dependent on an electronic effect rather than on a structural (steric) effect of the o-F atoms, although more than one substituent in the m- and p-positions shifted E(1/2) to higher potentials in relation to the general Hammett equation. A quasi-Hammett parameter for an o-F atom (σ(o)) was estimated to be ∼0.2, and a plot of E(1/2)vs. a sum of Hammett parameters including σ(o) was linear. In addition, the HOMO energy levels, which was calculated based on atomic coordinates of solid-state structures, as well as the redox potential were affected by adding F atoms. Nevertheless, a steric contribution stabilizing their static structures in the solid state was present in addition to the electronic effect. On the basis of the electronic effect, the redox potential of these complexes is correlated to the HOMO energy level, and the electronic effect of F atoms is the main factor controlling the ionization potential of the

Instantaneous charge state of uranium projectiles in fully ionized plasmas from energy loss experiments

NASA Astrophysics Data System (ADS)

Morales, Roberto; Barriga-Carrasco, Manuel D.; Casas, David

2017-04-01

The instantaneous charge state of uranium ions traveling through a fully ionized hydrogen plasma has been theoretically studied and compared with one of the first energy loss experiments in plasmas, carried out at GSI-Darmstadt by Hoffmann et al. in the 1990s. For this purpose, two different methods to estimate the instantaneous charge state of the projectile have been employed: (1) rate equations using ionization and recombination cross sections and (2) equilibrium charge state formulas for plasmas. Also, the equilibrium charge state has been obtained using these ionization and recombination cross sections and compared with the former equilibrium formulas. The equilibrium charge state of projectiles in plasmas is not always reached, and it depends mainly on the projectile velocity and the plasma density. Therefore, a non-equilibrium or an instantaneous description of the projectile charge is necessary. The charge state of projectile ions cannot be measured, except after exiting the target, and experimental data remain very scarce. Thus, the validity of our charge state model is checked by comparing the theoretical predictions with an energy loss experiment, as the energy loss has a generally quadratic dependence on the projectile charge state. The dielectric formalism has been used to calculate the plasma stopping power including the Brandt-Kitagawa (BK) model to describe the charge distribution of the projectile. In this charge distribution, the instantaneous number of bound electrons instead of the equilibrium number has been taken into account. Comparing our theoretical predictions with experiments, it is shown the necessity of including the instantaneous charge state and the BK charge distribution for a correct energy loss estimation. The results also show that the initial charge state has a strong influence in order to estimate the energy loss of the uranium ions.

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

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.

Ionization nebulae surrounding supersoft X-ray sources

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Heater-induced ionization inferred from spectrometric airglow measurements

NASA Astrophysics Data System (ADS)

Hysell, D. L.; Miceli, R. J.; Kendall, E. A.; Schlatter, N. M.; Varney, R. H.; Watkins, B. J.; Pedersen, T. R.; Bernhardt, P. A.; Huba, J. D.

2014-03-01

Spectrographic airglow measurements were made during an ionospheric modification experiment at High Frequency Active Auroral Research Program on 12 March 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 heater-induced ionization in view of the spatial intermittency of the airglow.

Partially ionized hydrogen plasma in strong magnetic fields.

PubMed

Potekhin, A Y; Chabrier, G; Shibanov, Y A

1999-08-01

We study the thermodynamic properties of a partially ionized hydrogen plasma in strong magnetic fields, B approximately 10(12)-10(13) G, typical of neutron stars. The properties of the plasma depend significantly on the quantum-mechanical sizes and binding energies of the atoms, which are strongly modified by thermal motion across the field. We use new fitting formulas for the atomic binding energies and sizes, based on accurate numerical calculations and valid for any state of motion of the atom. In particular, we take into account decentered atomic states, neglected in previous studies of thermodynamics of magnetized plasmas. We also employ analytic fits for the thermodynamic functions of nonideal fully ionized electron-ion Coulomb plasmas. This enables us to construct an analytic model of the free energy. An ionization equilibrium equation is derived, taking into account the strong magnetic field effects and the nonideality effects. This equation is solved by an iteration technique. Ionization degrees, occupancies, and the equation of state are calculated.

Population kinetics on K alpha lines of partially ionized Cl atoms.

PubMed

Kawamura, Tohru; Nishimura, Hiroaki; Koike, Fumihiro; Ochi, Yoshihiro; Matsui, Ryoji; Miao, Wen Yong; Okihara, Shinichiro; Sakabe, Shuji; Uschmann, Ingo; Förster, Eckhart; Mima, Kunioki

2002-07-01

A population kinetics code was developed to analyze K alpha emission from partially ionized chlorine atoms in hydrocarbon plasmas. Atomic processes are solved under collisional-radiative equilibrium for two-temperature plasmas. It is shown that the fast electrons dominantly contribute to ionize the K-shell bound electrons (i.e., inner-shell ionization) and the cold electrons to the outer-shell bound ones. Ratios of K alpha lines of partially ionized atoms are presented as a function of cold-electron temperature. The model was validated by observation of the K alpha lines from a chlorinated plastic target irradiated with 1 TW Ti:sapphire laser pulses at 1.5 x 10(17) W/cm(2), inferring a plasma temperature of about 100 eV on the target surface.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V II)

NASA Astrophysics Data System (ADS)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V II, have been compiled. The experimentally derived energy levels belong to the configurations 3d 4, 3d 3 ns (n = 4, 5, 6), 3d 3 np, and 3d 3 nd (n = 4, 5), 3d 34f, 3d 24s 2, and 3d 24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm-1, corresponding to 14.634(7) eV. This is 130 cm-1 higher than the previously recommended value from Iglesias et al.

An X-Ray Analysis Database of Photoionization Cross Sections Including Variable Ionization

NASA Technical Reports Server (NTRS)

Wang, Ping; Cohen, David H.; MacFarlane, Joseph J.; Cassinelli, Joseph P.

1997-01-01

Results of research efforts in the following areas are discussed: review of the major theoretical and experimental data of subshell photoionization cross sections and ionization edges of atomic ions to assess the accuracy of the data, and to compile the most reliable of these data in our own database; detailed atomic physics calculations to complement the database for all ions of 17 cosmically abundant elements; reconciling the data from various sources and our own calculations; and fitting cross sections with functional approximations and incorporating these functions into a compact computer code.Also, efforts included adapting an ionization equilibrium code, tabulating results, and incorporating them into the overall program and testing the code (both ionization equilibrium and opacity codes) with existing observational data. The background and scientific applications of this work are discussed. Atomic physics cross section models and calculations are described. Calculation results are compared with available experimental data and other theoretical data. The functional approximations used for fitting cross sections are outlined and applications of the database are discussed.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shiraishi, Hiroyuki

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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beck, Sara; Turner, Jean; Lacy, John

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 themore » ≃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.« less

Gas phase reactions of doubly charged alkaline earth and transition metal(II)-ligand complexes generated by electrospray ionization

NASA Astrophysics Data System (ADS)

Kohler, Martin; Leary, Julie A.

1997-03-01

Doubly charged metal(II)-complexes of [alpha] 1-3, [alpha] 1-6 mannotriose and the conserved trimannosyl core pentasaccharide as well as doubly charged complexes of Co(II), Mn(II), Ca(II) and Sr(II) with acetonitrile generated by electrospray ionization were studied by low energy collision induced dissociation (CID). Two main fragmentation pathways were observed for the metal(II)-oligosaccharide complexes. Regardless of the coordinating metal, loss of a neutral dehydrohexose residue (162 Da) from the doubly charged precursor ion is observed, forming a doubly charged product ion. However, if the oligosaccharide is coordinated to Co(II) or Mn(II), loss of a dehydroxyhexose cation is also observed. Investigation of the low mass region of the mass spectra of the metal coordinated oligosaccharides revealed intense signals corresponding to [metal(II) + (CH3CN)n2+ (where n = 1-6) species which were being formed by the metal(II) ions and the acetonitrile present in the sample. Analysis of these metal(II)-acetonitrile complexes provided further insight into the processes occurring upon low energy CID of doubly charged metal complexes. The metal(II)-acetonitrile system showed neutral loss and ligand cleavage as observed with the oligosaccharide complexes, as well as a series of six different dissociation mechanisms, most notable among them reduction from [metal(II) + (CH3CN)n2+ to the bare [metal(I)]+ species by electron transfer. Depending on the metal and collision gas chosen, one observes electron transfer from the ligand to the metal, electron transfer from the collision gas to the metal, proton transfer between ligands, heterolytic cleavage of the ligands, reactive collisions and loss of neutral ligands.

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.

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.

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

PubMed

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

2012-01-30

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

Adsorptive Removal of Cadmium (II) from Aqueous Solution by Multi-Carboxylic-Functionalized Silica Gel: Equilibrium, Kinetics and Thermodynamics

NASA Astrophysics Data System (ADS)

Li, Min; Meng, Xiaojing; Yuan, Jinhai; Deng, Wenwen; Liang, Xiuke

2018-01-01

In the present study, the adsorption behavior of cadmium (II) ion from aqueous solution onto multi-carboxylic-functionalized silica gel (SG-MCF) has been investigated in detail by means of batch and column experiments. Batch experiments were performed to evaluate the effects of various experimental parameters such as pH value, contact time and initial concentration on adsorption capacity of cadmium (II) ion. The kinetic data were analyzed on the basis of the pseudo-first-order kinetic and the pseudo-second-order kinetic models and consequently, the pseudo-second-order kinetic can better describe the adsorption process than the pseudo-first-order kinetic model. Equilibrium isotherms for the adsorption of cadmium (II) ion were analyzed by Freundlich and Langmuir isotherm models, the results indicate that Langmuir isotherm model was found to be credible to express the data for cadmium (II) ion from aqueous solution onto the SG-MCF. Various thermodynamics parameters of the adsorption process, including free energy of adsorption (ΔG0 ), the enthalpy of adsorption (ΔH0 ) and standard entropy changes (ΔS0 ), were calculated to predict the nature of adsorption. The positive value of the enthalpy change and the negative value of free energy change indicate that the process is endothermic and spontaneous process.

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.

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.

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.

TIME DEPENDENT NONEQUILIBRIUM IONIZATION OF TRANSITION REGION LINES OBSERVED WITH IRIS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez-Sykora, Juan; Pontieu, Bart De; Hansteen, Viggo H.

The properties of nonstatistical equilibrium ionization of silicon and oxygen ions are analyzed in this work. We focus on five solar targets (quiet Sun; coronal hole; plage; quiescent active region, AR; and flaring AR) as observed with the Interface Region Imaging Spectrograph (IRIS). IRIS is best suited for this work owing to the high cadence (up to 0.5 s), high spatial resolution (up to 0.″32), and high signal-to-noise ratios for O iv λ1401 and Si iv λ1402. We find that the observed intensity ratio between lines of three times ionized silicon and oxygen ions depends on their total intensity and that this correlationmore » varies depending on the region observed (quiet Sun, coronal holes, plage, or active regions) and on the specific observational objects present (spicules, dynamic loops, jets, microflares, or umbra). In order to interpret the observations, we compare them with synthetic profiles taken from 2D self-consistent radiative MHD simulations of the solar atmosphere, where the statistical equilibrium or nonequilibrium treatment of silicon and oxygen is applied. These synthetic observations show vaguely similar correlations to those in the observations, i.e., between the intensity ratios and their intensities, but only in the nonequilibrium case do we find that (some of) the observations can be reproduced. We conclude that these lines are formed out of statistical equilibrium. We use our time-dependent nonequilibrium ionization simulations to describe the physical mechanisms behind these observed properties.« less

Protonation equilibrium and lipophilicity of olamufloxacin (HSR-903), a newly synthesized fluoroquinolone antibacterial.

PubMed

Sun, Jin; Sakai, Shigeko; Tauchi, Yoshihiko; Deguchi, Yoshiharu; Cheng, Gang; Chen, Jimin; Morimoto, Kazuhiro

2003-09-01

This study was performed to characterize the protonation equilibrium at the molecular level and pH-dependent lipophilicity of olamufloxacin. The deprotonation fraction of the carboxyl group as a function of pH was specifically calculated at the critical wavelength 294 nm, where UV pH-dependent absorbance of olamufloxacin was independent of the ionized state of the aminopyrrolidinyl amino group but heavily depended on that of the carboxyl moiety. Accordingly, micro-protonation equilibrium could be described using a nonlinear least-squares regression program MULTI. In contrast, macro-protonation equilibrium was depicted at most wavelengths where olamufloxacin absorbance was influenced by ionized states of both proton-binding groups, results coinciding with the former. Furthermore, distribution features of four microspecies in aqueous phase were assessed. The apparent partition coefficient versus pH profile of olamufloxacin showed a parabolic curve in n-octanol/buffer system which reached peak near pH 8, agreeing with the above determined isoelectric point (pI). Ion-pair effect was observed for olamufloxacin under an acidic condition, eliciting experimental values higher than those theoretically calculated, which was similar to ciprofloxacin but not levofloxacin due to amino group type. Moreover, olamufloxacin was moderately lipophilic in comparison with other quinolones, with an apparent partition coefficient of 1.95 at pH 7.4.

Irreversible Processes in Ionized Gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balescu, R.

1960-01-01

The general theory of irreversible processes, developed by Prigogine and Balescu, is applied to the case of long range interactions in ionized gases. A similar diagram technique permits the systematic selection of all the contributions to the evolution of the distribution function, a an order of approximation equivalent to Debye's equilibrium theory. The infinite series which appear in this way can be summed exactly. The resulting evolution equations have a clear physical significance: they describe interactions of "quasi particles," which are electrons or ions "dressed" by their polarization clouds. These clouds are not a permanent feature, as in equilibrium theory,more » but have a nonequilibrium, changing shape, distorted by the motions of the particles. From the mathematical point of view, these equations exhibit a new type of nonlinearity, which is very directly related to the collective nature of the interactions.« less

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.

Numerical simulation of hypersonic inlet flows with equilibrium or finite rate chemistry

NASA Technical Reports Server (NTRS)

Yu, Sheng-Tao; Hsieh, Kwang-Chung; Shuen, Jian-Shun; Mcbride, Bonnie J.

1988-01-01

An efficient numerical program incorporated with comprehensive high temperature gas property models has been developed to simulate hypersonic inlet flows. The computer program employs an implicit lower-upper time marching scheme to solve the two-dimensional Navier-Stokes equations with variable thermodynamic and transport properties. Both finite-rate and local-equilibrium approaches are adopted in the chemical reaction model for dissociation and ionization of the inlet air. In the finite rate approach, eleven species equations coupled with fluid dynamic equations are solved simultaneously. In the local-equilibrium approach, instead of solving species equations, an efficient chemical equilibrium package has been developed and incorporated into the flow code to obtain chemical compositions directly. Gas properties for the reaction products species are calculated by methods of statistical mechanics and fit to a polynomial form for C(p). In the present study, since the chemical reaction time is comparable to the flow residence time, the local-equilibrium model underpredicts the temperature in the shock layer. Significant differences of predicted chemical compositions in shock layer between finite rate and local-equilibrium approaches have been observed.

Local thermodynamic equilibrium in rapidly heated high energy density plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aslanyan, V.; Tallents, G. J.

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.more » 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.« less

Time-dependent Ionization in a Steady Flow in an MHD Model of the Solar Corona and Wind

NASA Astrophysics Data System (ADS)

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

2017-11-01

Time-dependent ionization is important for diagnostics of coronal streamers and pseudostreamers. We describe time-dependent ionization calculations for a three-dimensional magnetohydrodynamic (MHD) model of the solar corona and inner heliosphere. We analyze how non-equilibrium ionization (NEI) influences emission from a pseudostreamer during the Whole Sun Month interval (Carrington rotation CR1913, 1996 August 22 to September 18). We use a time-dependent code to calculate NEI states, based on the plasma temperature, density, velocity, and magnetic field in the MHD model, to obtain the synthetic emissivities and predict the intensities of the Lyα, O VI, Mg x, and Si xii emission lines observed by the SOHO/Ultraviolet Coronagraph Spectrometer (UVCS). At low coronal heights, the predicted intensity profiles of both Lyα and O VI lines match UVCS observations well, but the Mg x and Si xii emission are predicted to be too bright. At larger heights, the O VI and Mg x lines are predicted to be brighter for NEI than equilibrium ionization around this pseudostreamer, and Si xii is predicted to be fainter for NEI cases. The differences of predicted UVCS intensities between NEI and equilibrium ionization are around a factor of 2, but neither matches the observed intensity distributions along the full length of the UVCS slit. Variations in elemental abundances in closed field regions due to the gravitational settling and the FIP effect may significantly contribute to the predicted uncertainty. The assumption of Maxwellian electron distributions and errors in the magnetic field on the solar surface may also have notable effects on the mismatch between observations and model predictions.

Aberration compensation in a Skew parametric-resonance ionization cooling channel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sy, Amy V.; Derbenev, Yaroslav S.; Morozov, Vasiliy

Skew Parametric-resonance Ionization Cooling (Skew PIC) represents a novel method for focusing of highly divergent particle beams, as in the final 6D cooling stage of a high-luminosity muon collider. In the muon collider concept, the resultant equilibrium transverse emittances from cooling with Skew PIC are an order of magnitude smaller than in conventional ionization cooling. The concept makes use of coupling of the transverse dynamic behavior, and the linear dynamics are well-behaved with good agreement between analytic solutions and simulation results. Compared to the uncoupled system, coupling of the transverse dynamic behavior purports to reduce the number of multipoles requiredmore » for aberration compensation while also avoiding unwanted resonances. Aberration compensation is more complicated in the coupled case, especially in the high-luminosity muon collider application where equilibrium angular spreads in the cooling channel are on the order of 200 mrad. We present recent progress on aberration compensation for control of highly divergent muon beams in the coupled correlated optics channel, and a simple cooling model to test the transverse acceptance of the channel.« less

Strong-field approximation for ionization of a diatomic molecule by a strong laser field. II. The role of electron rescattering off the molecular centers

NASA Astrophysics Data System (ADS)

Busuladžić, M.; Gazibegović-Busuladžić, A.; Milošević, D. B.; Becker, W.

2008-09-01

The strong-field approximation for ionization of diatomic molecules by a strong laser field [D. B. Milošević, Phys. Rev. A 74, 063404 (2006)] is generalized to include rescattering of the ionized electron wave packet off the molecular centers (the electron’s parent ion or the second atom). There are four rescattering contributions to the ionization rate, which are responsible for the high-energy plateau in the electron spectra and which interfere in a complicated manner. The spectra are even more complicated due to the different symmetry properties of the atomic orbitals of which a particular molecular orbital consists. Nevertheless, a comparatively simple condition emerges for the destructive interference of all these contributions, which yields a curve in the (Epf,θ) plane. Here θ is the electron emission angle and Epf is the electron kinetic energy. The resulting suppression of the rescattering plateau can be strong and affect a large area of the (Epf,θ) plane, depending on the orientation of the molecule. We illustrate this using the examples of the 3σg molecular orbital of N2 and the 1πg molecular orbital of O2 for various orientations of these molecules with respect to the laser polarization axis. For N2 , for perpendicular orientation and the equilibrium internuclear distance R0 , we find that the minima of the ionization rate form the curve Epfcos2θ=π2/(2R02) in the (Epf,θ) plane. For O2 the rescattering plateau is absent for perpendicular orientation.

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…

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

DOE PAGES

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

2015-09-09

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

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V ii)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3 d {sup 4}, 3 d {sup 3} ns ( n  = 4, 5, 6), 3 d {sup 3} np , and 3 d {sup 3} nd ( n  = 4, 5), 3 d {sup 3}4 f , 3 d {sup 2}4 s {sup 2}, and 3 d {sup 2}4 s 4 p . Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factorsmore » and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm{sup −1}, corresponding to 14.634(7) eV. This is 130 cm{sup −1} higher than the previously recommended value from Iglesias et al.« less

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.

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.

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.

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.

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.

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

NASA Astrophysics Data System (ADS)

Björnbom, Pehr

2016-03-01

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

Ionization in the local interstellar and intergalactic media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, K.

1990-01-01

Detailed photoionization calculations for the local interstellar medium (LISM) and the intergalactic medium (IGM) are presented. Constraints in the LISM are imposed by H I column density derived from IUE and Copernicus data toward nearby B stars and hot white dwarfs. The EUV radiation field is modeled including contributions from discrete stellar sources and from a thermal bremsstrahlung-radiative recombination spectrum emitted from the surrounding 10(exp 6) K coronal substrate. Lower limits to the fractional ionization of hydrogen and helium of 0.17 and 0.30 respectively are established. The derived limits have important implications for the interpretation of the H I andmore » He I backscattering results. The high He ionization fraction results primarily from very strong line emission below 500 A originating in the surrounding coronal substrate while the H ionization is dominated by the EUV radiation from the discrete stellar sources. The dual effects of thermal conduction and the EUV spectrum of the 10(exp 6) K plasma on ionization in the cloud skin are explored. The EUV radiation field and Auger ionization have insignificant effects on the resulting ionic column densities of Si IV, C IV, N V and O VI through the cloud skin. Calculations show that the abundances of these species are dominated by collisional ionization in the thermal conduction front. Because of a low charge exchange rate with hydrogen, the ionic column density ratios of N(C III)/N(C II) and N(N II)/N(N I) are dominated by the EUV radiation field in the local interstellar medium. These ratios should be important diagnostics for the EUV radiation field and serve as surrogate indicators of the interstellar He and H ionization fraction respectively. The same photoionization model is applied to the intergalactic medium.« less

Evidence for a Hard Ionizing Spectrum from a z = 6.11 Stellar Population

NASA Astrophysics Data System (ADS)

Mainali, Ramesh; Kollmeier, Juna A.; Stark, Daniel P.; Simcoe, Robert A.; Walth, Gregory; Newman, Andrew B.; Miller, Daniel R.

2017-02-01

We present the Magellan/FIRE detection of highly ionized C IV λ1550 and O III]λ1666 in a deep infrared spectrum of the z = 6.11 gravitationally lensed low-mass galaxy RXC J2248.7-4431-ID3, which has previously known Lyα. No corresponding emission is detected at the expected location of He II λ1640. The upper limit on He II, paired with detection of O III] and C IV, constrains possible ionization scenarios. Production of C IV and O III] requires ionizing photons of 2.5-3.5 Ryd, but once in that state their multiplet emission is powered by collisional excitation at lower energies (˜0.5 Ryd). As a pure recombination line, He II emission is powered by 4 Ryd ionizing photons. The data therefore require a spectrum with significant power at 3.5 Ryd but a rapid drop toward 4.0 Ryd. This hard spectrum with a steep drop is characteristic of low-metallicity stellar populations, and less consistent with soft AGN excitation, which features more 4 Ryd photons and hence higher He II flux. The conclusions based on ratios of metal line detections to helium non-detection are strengthened if the gas metallicity is low. RXJ2248-ID3 adds to the growing handful of reionization-era galaxies with UV emission line ratios distinct from the general z=2{--}3 population in a way that suggests hard ionizing spectra that do not necessarily originate in AGNs.

Photoelectron circular dichroism in the multiphoton ionization by short laser pulses. II. Three- and four-photon ionization of fenchone and camphor.

PubMed

Müller, Anne D; Artemyev, Anton N; Demekhin, Philipp V

2018-06-07

Angle-resolved multiphoton ionization of fenchone and camphor by short intense laser pulses is computed by the time-dependent single center method. Thereby, the photoelectron circular dichroism (PECD) in the three-photon resonance enhanced ionization and four-photon above-threshold ionization of these molecules is investigated in detail. The computational results are in satisfactory agreement with the available experimental data, measured for randomly oriented fenchone and camphor molecules at different wavelengths of the exciting pulses. We predict a significant enhancement of the multiphoton PECD for uniaxially oriented fenchone and camphor.

Photoelectron circular dichroism in the multiphoton ionization by short laser pulses. II. Three- and four-photon ionization of fenchone and camphor

NASA Astrophysics Data System (ADS)

Müller, Anne D.; Artemyev, Anton N.; Demekhin, Philipp V.

2018-06-01

Angle-resolved multiphoton ionization of fenchone and camphor by short intense laser pulses is computed by the time-dependent single center method. Thereby, the photoelectron circular dichroism (PECD) in the three-photon resonance enhanced ionization and four-photon above-threshold ionization of these molecules is investigated in detail. The computational results are in satisfactory agreement with the available experimental data, measured for randomly oriented fenchone and camphor molecules at different wavelengths of the exciting pulses. We predict a significant enhancement of the multiphoton PECD for uniaxially oriented fenchone and camphor.

Identification of 5g and 6g terms and revised ionization energies in the Yb II 4f/sup 14/nl isoelectronic sequence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sugar, J.; Kaufman, V.

1979-01-01

The 5f-5g transitions in Lu III through Os VIII and the 5f-6g transitions in Hf IV through W VI were identified and used to redetermine the ionization energies of Yb II, Lu III, W VI, Re VII, and Os VIII. Complete line-lists and energy levels are given for the one-electron spectra Hf IV, W VI and Os VIII.

Electron-helium S-wave model benchmark calculations. II. Double ionization, single ionization with excitation, and double excitation

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.; Stelbovics, Andris T.

2010-02-01

The propagating exterior complex scaling (PECS) method is extended to all four-body processes in electron impact on helium in an S-wave model. Total and energy-differential cross sections are presented with benchmark accuracy for double ionization, single ionization with excitation, and double excitation (to autoionizing states) for incident-electron energies from threshold to 500 eV. While the PECS three-body cross sections for this model given in the preceding article [Phys. Rev. A 81, 022715 (2010)] are in good agreement with other methods, there are considerable discrepancies for these four-body processes. With this model we demonstrate the suitability of the PECS method for the complete solution of the electron-helium system.

Ultraviolet absorption by highly ionized atoms in the Orion Nebula

NASA Technical Reports Server (NTRS)

Franco, J.; Savage, B. D.

1982-01-01

The International Ultraviolet Explorer was used to obtain high-resolution, far-UV spectra of theta 1 A, theta 1 C, theta 1 D, and theta 2 A Orionis. The interstellar absorption lines in these spectra are discussed with an emphasis on the high-ionization lines of C IV and Si IV. Theta 2 A Ori has interstellar C IV and Si IV absorption of moderate strength at the velocity found for normal H II region ions. Theta 1 C Ori has very strong interstellar C IV and Si IV absorption at velocities blueshifted by about 25 km/s from that found for the normal H II region ions. The possible origin of the high-ionization lines by three processes is considered: X-ray ionization, collisional ionization, and UV photoionization. It is concluded that the C IV and Si IV ions toward theta 2 A and theta 1 C Ori are likely produced by UV photoionization of surrounding nebular gas. In the case of theta 1 C Ori, the velocity shift of the high-ionization lines may be produced through the acceleration of high-density globules in the core of the nebula by the stellar wind of theta 1 C Ori.

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.

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…

Ionization compression impact on dense gas distribution and star formation. Probability density functions around H II regions as seen by Herschel

NASA Astrophysics Data System (ADS)

Tremblin, P.; Schneider, N.; Minier, V.; Didelon, P.; Hill, T.; Anderson, L. D.; Motte, F.; Zavagno, A.; André, Ph.; Arzoumanian, D.; Audit, E.; Benedettini, M.; Bontemps, S.; Csengeri, T.; Di Francesco, J.; Giannini, T.; Hennemann, M.; Nguyen Luong, Q.; Marston, A. P.; Peretto, N.; Rivera-Ingraham, A.; Russeil, D.; Rygl, K. L. J.; Spinoglio, L.; White, G. J.

2014-04-01

Aims: Ionization feedback should impact the probability distribution function (PDF) of the column density of cold dust around the ionized gas. We aim to quantify this effect and discuss its potential link to the core and initial mass function (CMF/IMF). Methods: We used Herschel column density maps of several regions observed within the HOBYS key program in a systematic way: M 16, the Rosette and Vela C molecular clouds, and the RCW 120 H ii region. We computed the PDFs in concentric disks around the main ionizing sources, determined their properties, and discuss the effect of ionization pressure on the distribution of the column density. Results: We fitted the column density PDFs of all clouds with two lognormal distributions, since they present a "double-peak" or an enlarged shape in the PDF. Our interpretation is that the lowest part of the column density distribution describes the turbulent molecular gas, while the second peak corresponds to a compression zone induced by the expansion of the ionized gas into the turbulent molecular cloud. Such a double peak is not visible for all clouds associated with ionization fronts, but it depends on the relative importance of ionization pressure and turbulent ram pressure. A power-law tail is present for higher column densities, which are generally ascribed to the effect of gravity. The condensations at the edge of the ionized gas have a steep compressed radial profile, sometimes recognizable in the flattening of the power-law tail. This could lead to an unambiguous criterion that is able to disentangle triggered star formation from pre-existing star formation. Conclusions: In the context of the gravo-turbulent scenario for the origin of the CMF/IMF, the double-peaked or enlarged shape of the PDF may affect the formation of objects at both the low-mass and the high-mass ends of the CMF/IMF. In particular, a broader PDF is required by the gravo-turbulent scenario to fit the IMF properly with a reasonable initial Mach

Toxic metals biosorption by Jatropha curcas deoiled cake: equilibrium and kinetic studies.

PubMed

Rawat, Anand P; Rawat, Monica; Rai, J P N

2013-08-01

The equilibrium sorption of Cr(VI) and Cu(II) from aqueous solution using Jatropha curcas deoiled cake, has been studied with respect to adsorbent dosage, contact time, pH, and initial metal concentration in batch mode experiments. Removal of Cu(II) by deoiled cake was greater than that of Cr(VI). The adsorbent chemical characteristics, studied by Fourier transform-infrared analysis, suggested that the presence of Cr(VI) and Cu(II) in the biomass influenced the bands corresponding to hydroxyl and carboxyl groups. Desorption studies revealed that maximum metals recovery was achieved by HNO3 followed by CH3COOH and HCl. The Freundlich isotherm model showed good fit to the equilibrium adsorption data. The adsorption kinetics followed the pseudo-second-order model, which provided the best correlation for the biosorption process, and suggested that J. curcas deoiled cake can be used as an efficient biosorbent over other commonly used sorbents for decontamination of Cr(VI)- and Cu(II)-containing wastewater.

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.

Synthesis, Characterization and Cytotoxicity Studies of Palladium(II)-Proflavine Complexes

PubMed Central

Polyanskaya, Tatyana V.; Kazhdan, Irene; Motley, D. Michelle; Walmsley, Judith A.

2010-01-01

An investigation of the reaction of Pd(II) complexes with proflavine (3,6-diaminoacridine) resulted in the isolation of the compounds [Pd(terpy)(proflavine)](NO3)(HSO4)·3H2O, 1, (terpy = 2,2’:6’,2”-terpyridine), [Pd(en)(proflavineH))](NO3)(SO4), 2, (en = ethylenediamine), and [Pd(proflavineH)Cl2](SO4)0.5 ·H2O, 3. They have been isolated and characterized by NMR, IR, and electrospray ionization mass spectrometry techniques and by elemental analyses. The proflavine was bonded to the Pd(II) through the endocyclic nitrogen in 1, but through the proflavine NH2 in 2. Compound 3 appeared to be polymeric in the solid state with a 1:1 mole ratio of Pd(II):proflavine. Upon solution of 3 in DMSO, two unique species were formed. In one species the Pd(II) was bonded to Two proflavines through the endocyclic nitrogen (1:2 mole ratio) and in the other species, a Pd(II) was bonded to each NH2 group of a single proflavine (2:1 mole ratio). Molecular modeling of the equilibrium geometry by Spartan 8 produced structures which were consistent with the experimental data on the solutions of the three compounds. In vitro cytotoxicity testing against two breast cancer cell lines and one ovarian cancer cell line showed that compounds 1 and 3 had significant activity. PMID:20709409

Synthesis, characterization and cytotoxicity studies of palladium(II)-proflavine complexes.

PubMed

Polyanskaya, Tatyana V; Kazhdan, Irene; Motley, D Michelle; Walmsley, Judith A

2010-11-01

An investigation of the reaction of Pd(II) complexes with proflavine (3,6-diaminoacridine) resulted in the isolation of the compounds [Pd(terpy)(proflavine)](NO(3))(HSO(4))*3H(2)O, 1, (terpy = 2,2':6',2″-terpyridine), [Pd(en)(proflavineH))](NO(3))(SO(4)), 2, (en = ethylenediamine), and [Pd(proflavineH)Cl(2)](SO(4))(0.5)*H(2)O, 3. They have been isolated and characterized by NMR, IR, and electro-spray ionization mass spectrometry techniques and by elemental analyses. The proflavine was bonded to the Pd(II) through the endocyclic nitrogen in 1, but through the proflavine NH(2) in 2. Compound 3 appeared to be polymeric in the solid state with a 1:1 mole ratio of Pd(II):proflavine. Upon solution of 3 in DMSO, two unique species were formed. In one species the Pd(II) was bonded to two proflavines through the endocyclic nitrogen (1:2 mole ratio) and in the other species, a Pd(II) was bonded to each NH(2) group of a single proflavine (2:1 mole ratio). Molecular modeling of the equilibrium geometry by Spartan 8 produced structures which were consistent with the experimental data on the solutions of the three compounds. In vitro cytotoxicity testing against two breast cancer cell lines and one ovarian cancer cell line showed that compounds 1 and 3 had significant activity. Copyright © 2010 Elsevier Inc. All rights reserved.

Differentiation of isomeric 2-aryldimethyltetrahydro-5-quinolinones by electron ionization and electrospray ionization mass spectrometry.

PubMed

Kumar, Ch Dinesh; Chary, V Naresh; Dinesh, A; Reddy, P S; Srinivas, K; Gayatri, G; Sastry, G N; Prabhakar, S

2011-10-15

A series of isomeric 2-aryl-6,6-dimethyltetrahydro-5-quinolinones (set I) and 2-aryl-7,7-dimethyltetrahydro-5-quinolinones (set II) were studied under positive ion electron ionization (EI) and electrospray ionization (ESI) techniques. Under EI conditions, the molecular ions were found to be less stable in set I isomers, and they resulted in abundant fragment ions, i.e., [M-CH(3)](+), [M-CO](+.), [M-HCO](+), [M-(CH(3),CO)](+), and [M-(CH(3),CH(2)O)](+), when compared with set II isomers. In addition, the set I isomers showed specific fragment ions corresponding to [M-OH](+) and [M-OCH(3)](+). The retro-Diels-Alder (RDA) product ion was always higher in set II isomers. The ESI mass spectra produced [M + H](+) ions, and their decomposition showed favorable loss of CH(3) radical, CH(4) and C(2)H(6) molecules in set I isomers. The set II isomers, however, showed predominant RDA product ions, and specific loss of H(2)O. The selectivity in EI and ESI was attributed to the instability of set I isomers by the presence of a gem-dimethyl group at the α-position, and it was supported by the data from model compounds without a gem-dimethyl group. Density functional theory (DFT) calculations successfully corroborated the fragmentation pathways for diagnostic ions. This study revealed the effect of a gem-dimethyl group located at the α-position to the carbonyl having aromatic/unsaturated carbon on the other side of the carbonyl group. Copyright © 2011 John Wiley & Sons, Ltd.

On the biosorption, by brown seaweed, Lobophora variegata, of Ni(II) from aqueous solutions: equilibrium and thermodynamic studies.

PubMed

Basha, Shaik; Jaiswar, Santlal; Jha, Bhavanath

2010-09-01

The biosorption equilibrium isotherms of Ni(II) onto marine brown algae Lobophora variegata, which was chemically-modified by CaCl(2) were studied and modeled. To predict the biosorption isotherms and to determine the characteristic parameters for process design, twenty-three one-, two-, three-, four- and five-parameter isotherm models were applied to experimental data. The interaction among biosorbed molecules is attractive and biosorption is carried out on energetically different sites and is an endothermic process. The five-parameter Fritz-Schluender model gives the most accurate fit with high regression coefficient, R (2) (0.9911-0.9975) and F-ratio (118.03-179.96), and low standard error, SE (0.0902-0.0.1556) and the residual or sum of square error, SSE (0.0012-0.1789) values to all experimental data in comparison to other models. The biosorption isotherm models fitted the experimental data in the order: Fritz-Schluender (five-parameter) > Freundlich (two-parameter) > Langmuir (two-parameter) > Khan (three-parameter) > Fritz-Schluender (four-parameter). The thermodynamic parameters such as DeltaG (0), DeltaH (0) and DeltaS (0) have been determined, which indicates the sorption of Ni(II) onto L. variegata was spontaneous and endothermic in nature.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu; Mewes, Jan-Michael

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 failsmore » 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.« less

Quasi-Equilibrium Pairs in Pursuit Games on a Cyclic Graph: Some Modified Cases

DTIC Science & Technology

1989-05-01

CCS Research Report No. 627 QUASI-EQUILIBRIUM PAIRS IN PURSUIT GAMES ON A CYCLIC GRAPH: SOME MODIFIED CASES by A. Charnes D. Zhang i-0 00 CENTER FOR...CCS Research Report No. 627 QUASI-EQUILIBRIUM PAIRS IN PURSUIT GAMES ON A CYCLIC GRAPH: SOME MODIFIED CASES by A. Charnes D. Zhang May 1989 This...University of Texas at Austin Austin, Texas 78712-1177 II (512) 471-1821 APAWNJIZf ] ’ Api, k..s UsW , QUASI-EQUILIBRIUM PAIRS IN PURSUIT GAMES ON A

SPECIES - EVALUATING THERMODYNAMIC PROPERTIES, TRANSPORT PROPERTIES & EQUILIBRIUM CONSTANTS OF AN 11-SPECIES AIR MODEL

NASA Technical Reports Server (NTRS)

Thompson, R. A.

1994-01-01

Accurate numerical prediction of high-temperature, chemically reacting flowfields requires a knowledge of the physical properties and reaction kinetics for the species involved in the reacting gas mixture. Assuming an 11-species air model at temperatures below 30,000 degrees Kelvin, SPECIES (Computer Codes for the Evaluation of Thermodynamic Properties, Transport Properties, and Equilibrium Constants of an 11-Species Air Model) computes values for the species thermodynamic and transport properties, diffusion coefficients and collision cross sections for any combination of the eleven species, and reaction rates for the twenty reactions normally occurring. The species represented in the model are diatomic nitrogen, diatomic oxygen, atomic nitrogen, atomic oxygen, nitric oxide, ionized nitric oxide, the free electron, ionized atomic nitrogen, ionized atomic oxygen, ionized diatomic nitrogen, and ionized diatomic oxygen. Sixteen subroutines compute the following properties for both a single species, interaction pair, or reaction, and an array of all species, pairs, or reactions: species specific heat and static enthalpy, species viscosity, species frozen thermal conductivity, diffusion coefficient, collision cross section (OMEGA 1,1), collision cross section (OMEGA 2,2), collision cross section ratio, and equilibrium constant. The program uses least squares polynomial curve-fits of the most accurate data believed available to provide the requested values more quickly than is possible with table look-up methods. The subroutines for computing transport coefficients and collision cross sections use additional code to correct for any electron pressure when working with ionic species. SPECIES was developed on a SUN 3/280 computer running the SunOS 3.5 operating system. It is written in standard FORTRAN 77 for use on any machine, and requires roughly 92K memory. The standard distribution medium for SPECIES is a 5.25 inch 360K MS-DOS format diskette. The contents of the

Kinetics of a plasma streamer ionization front

NASA Astrophysics Data System (ADS)

Taccogna, Francesco; Pellegrini, Fabrizio

2018-02-01

A streamer is a non-linear and non-local gas breakdown mode. Its large-scale coherent structures, such as the ionization front, are the final results of a hierarchical cascade starting from the single particle dynamics. Therefore, this phenomenon covers, by definition, different space and time scales. In this study, we have reproduced the ionization front formation and development by means of a particle-based numerical methodology. The physical system investigated concerns of a high-voltage ns-pulsed surface dielectric barrier discharge. Different reduced electric field regimes ranging from 50 to 500 Td have been considered for two gases: pure atomic Ar and molecular N2. Results have shown the detailed structure of the negative streamer: the leading edge, the head, the interior and the tail. Its dynamical evolution and the front propagation velocity have been calculated for the different cases. Finally, the deviation of the electron energy distribution function from equilibrium behavior has been pointed out as a result of a fast and very localized phenomenon.

Adsorption of Pb(II), Cu(II), Cd(II), Zn(II), Ni(II), Fe(II), and As(V) on bacterially produced metal sulfides.

PubMed

Jong, Tony; Parry, David L

2004-07-01

The adsorption of Pb(II), Cu(II), Cd(II), Zn(II), Ni(II), Fe(II) and As(V) onto bacterially produced metal sulfide (BPMS) material was investigated using a batch equilibrium method. It was found that the sulfide material had adsorptive properties comparable with those of other adsorbents with respect to the specific uptake of a range of metals and, the levels to which dissolved metal concentrations in solution can be reduced. The percentage of adsorption increased with increasing pH and adsorbent dose, but decreased with increasing initial dissolved metal concentration. The pH of the solution was the most important parameter controlling adsorption of Cd(II), Cu(II), Fe(II), Ni(II), Pb(II), Zn(II), and As(V) by BPMS. The adsorption data were successfully modeled using the Langmuir adsorption isotherm. Desorption experiments showed that the reversibility of adsorption was low, suggesting high-affinity adsorption governed by chemisorption. The mechanism of adsorption for the divalent metals was thought to be the formation of strong, inner-sphere complexes involving surface hydroxyl groups. However, the mechanism for the adsorption of As(V) by BPMS appears to be distinct from that of surface hydroxyl exchange. These results have important implications to the management of metal sulfide sludge produced by bacterial sulfate reduction.

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.

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.

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

PubMed

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

2009-02-06

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

Structure and Feedback in 30 Doradus. II. Structure and Chemical Abundances

NASA Astrophysics Data System (ADS)

Pellegrini, E. W.; Baldwin, J. A.; Ferland, G. J.

2011-09-01

We use our new optical-imaging and spectrophotometric survey of key diagnostic emission lines in 30 Doradus, together with CLOUDY photoionization models, to study the physical conditions and ionization mechanisms along over 4000 individual lines of sight at points spread across the face of the extended nebula, out to a projected radius 75 pc from R136 at the center of the ionizing cluster NGC 2070. We focus on the physical conditions, geometry, and importance of radiation pressure on a point-by-point basis, with the aim of setting observational constraints on important feedback processes. We find that the dynamics and large-scale structure of 30 Dor are set by a confined system of X-ray bubbles in rough pressure equilibrium with each other and with the confining molecular gas. Although the warm (10,000 K) gas is photoionized by the massive young stars in NGC 2070, the radiation pressure does not currently play a major role in shaping the overall structure. The completeness of our survey also allows us to create a composite spectrum of 30 Doradus, simulating the observable spectrum of a spatially unresolved, distant giant extragalactic H II region. We find that the highly simplified models used in the "strong line" abundance technique do in fact reproduce our observed line strengths and deduced chemical abundances, in spite of the more than one order of magnitude range in the ionization parameter and density of the actual gas in 30 Dor.

HERSCHEL GALACTIC PLANE SURVEY OF [N ii] FINE STRUCTURE EMISSION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldsmith, Paul F.; Yıldız, Umut A.; Langer, William D.

2015-12-01

We present the first large-scale high angular resolution survey of ionized nitrogen in the Galactic Plane through emission of its two fine structure transitions ([N ii]) at 122 and 205 μm. The observations were largely obtained with the PACS instrument onboard the Herschel Space Observatory. The lines of sight were in the Galactic plane, following those of the Herschel OTKP project GOT C+. Both lines are reliably detected at the 10{sup −8}–10{sup −7} Wm{sup −2} sr{sup −1} level over the range –60° ≤ l ≤ 60°. The rms of the intensity among the 25 PACS spaxels of a given pointingmore » is typically less than one third of the mean intensity, showing that the emission is extended. [N ii] is produced in gas in which hydrogen is ionized, and collisional excitation is by electrons. The ratio of the two fine structure transitions provides a direct measurement of the electron density, yielding n(e) largely in the range 10–50 cm{sup −3} with an average value of 29 cm{sup −3} and N{sup +} column densities 10{sup 16}–10{sup 17} cm{sup −2}. [N ii] emission is highly correlated with that of [C ii], and we calculate that between 1/3 and 1/2 of the [C ii] emission is associated with the ionized gas. The relatively high electron densities indicate that the source of the [N ii] emission is not the warm ionized medium (WIM), which has electron densities more than 100 times smaller. Possible origins of the observed [N ii] include the ionized surfaces of dense atomic and molecular clouds, the extended low-density envelopes of H ii regions, and low-filling factor high-density fluctuations of the WIM.« less

ALMA Reveals Weak [N II] Emission in "Typical" Galaxies and Intense Starbursts at z = 5-6

NASA Astrophysics Data System (ADS)

Pavesi, Riccardo; Riechers, Dominik A.; Capak, Peter L.; Carilli, Christopher L.; Sharon, Chelsea E.; Stacey, Gordon J.; Karim, Alexander; Scoville, Nicholas Z.; Smolčić, Vernesa

2016-12-01

We report interferometric measurements of [N II] 205 μm fine-structure line emission from a representative sample of three galaxies at z = 5-6 using the Atacama Large (sub)Millimeter Array (ALMA). These galaxies were previously detected in [C II] and far-infrared continuum emission and span almost two orders of magnitude in star formation rate (SFR). Our results show at least two different regimes of ionized interstellar medium properties for galaxies in the first billion years of cosmic time, separated by their {L}[{{C}{{II}}]}/{L}[{{N}{{II}}]} ratio. We find extremely low [N II] emission compared to [C II] ({L}[{{C}{{II}}]}/{L}[{{N}{{II}}]}={68}-28+200) from a “typical” ˜ {L}{UV}* star-forming galaxy, likely directly or indirectly (by its effect on the radiation field) related to low dust abundance and low metallicity. The infrared-luminous modestly star-forming Lyman-break galaxy (LBG) in our sample is characterized by an ionized-gas fraction ({L}[{{C}{{II}}]}/{L}[{{N}{{II}}]}≲ 20) typical of local star-forming galaxies and shows evidence for spatial variations in its ionized-gas fraction across an extended gas reservoir. The extreme SFR, warm and compact dusty starburst AzTEC-3 shows an ionized fraction higher than expected given its SFR surface density ({L}[{{C}{{II}}]}/{L}[{{N}{{II}}]}=22+/- 8) suggesting that [N II] dominantly traces a diffuse ionized medium rather than star-forming H II regions in this type of galaxy. This highest redshift sample of [N II] detections provides some of the first constraints on ionized and neutral gas modeling attempts and on the structure of the interstellar medium at z = 5-6 in “normal” galaxies and starbursts.

An equilibrium-conserving taxation scheme for income from capital

NASA Astrophysics Data System (ADS)

Tempere, Jacques

2018-02-01

Under conditions of market equilibrium, the distribution of capital income follows a Pareto power law, with an exponent that characterizes the given equilibrium. Here, a simple taxation scheme is proposed such that the post-tax capital income distribution remains an equilibrium distribution, albeit with a different exponent. This taxation scheme is shown to be progressive, and its parameters can be simply derived from (i) the total amount of tax that will be levied, (ii) the threshold selected above which capital income will be taxed and (iii) the total amount of capital income. The latter can be obtained either by using Piketty's estimates of the capital/labor income ratio or by fitting the initial Pareto exponent. Both ways moreover provide a check on the amount of declared income from capital.

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Lewis, Mark

2010-01-01

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

NASA Astrophysics Data System (ADS)

Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

1998-05-01

Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet's model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature Tz. An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z* and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated.

THE ORIGIN AND OPTICAL DEPTH OF IONIZING RADIATION IN THE 'GREEN PEA' GALAXIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jaskot, A. E.; Oey, M. S.

2013-04-01

Although Lyman-continuum (LyC) radiation from star-forming galaxies likely drove the reionization of the universe, observations of star-forming galaxies at low redshift generally indicate low LyC escape fractions. However, the extreme [O III]/[O II] ratios of the z = 0.1-0.3 Green Pea galaxies may be due to high escape fractions of ionizing radiation. To analyze the LyC optical depths and ionizing sources of these rare, compact starbursts, we compare nebular photoionization and stellar population models with observed emission lines in the Peas' Sloan Digital Sky Survey (SDSS) spectra. We focus on the six most extreme Green Peas, the galaxies with themore » highest [O III]/[O II] ratios and the best candidates for escaping ionizing radiation. The Balmer line equivalent widths and He I {lambda}3819 emission in the extreme Peas support young ages of 3-5 Myr, and He II {lambda}4686 emission in five extreme Peas signals the presence of hard ionizing sources. Ionization by active galactic nuclei or high-mass X-ray binaries is inconsistent with the Peas' line ratios and ages. Although stacked spectra reveal no Wolf-Rayet (WR) features, we tentatively detect WR features in the SDSS spectra of three extreme Peas. Based on the Peas' ages and line ratios, we find that WR stars, chemically homogeneous O stars, or shocks could produce the observed He II emission. If hot stars are responsible, then the Peas' optical depths are ambiguous. However, accounting for emission from shocks lowers the inferred optical depth and suggests that the Peas may be optically thin. The Peas' ages likely optimize the escape of LyC radiation; they are old enough for supernovae and stellar winds to reshape the interstellar medium, but young enough to possess large numbers of UV-luminous O or WR stars.« less

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

The classical equation of state of fully ionized plasmas

NASA Astrophysics Data System (ADS)

Eisa, Dalia Ahmed

2011-03-01

The aim of this paper is to calculate the analytical form of the equation of state until the third virial coefficient of a classical system interacting via an effective potential of fully Ionized Plasmas. The excess osmotic pressure is represented in the forms of a convergent series expansions in terms of the plasma Parameter μ _{ab} = {{{e_a e_b χ } over {DKT}}}, where χ2 is the square of the inverse Debye radius. We consider only the thermal equilibrium plasma.

The Beta Pictoris circumstellar disk. XV - Highly ionized species near Beta Pictoris

NASA Technical Reports Server (NTRS)

Deleuil, M.; Gry, C.; Lagrange-Henri, A.-M.; Vidal-Madjar, A.; Beust, H.; Ferlet, R.; Moos, H. W.; Livengood, T. A.; Ziskin, D.; Feldman, P. D.

1993-01-01

Temporal variations of the Fe II, Mg II, and Al III circumstellar lines towards Beta Pictoris have been detected and monitored since 1985. However, the unusual presence of Al III ions is still puzzling, since the UV stellar flux from an A5V star such as Beta Pic is insufficient to produce such an ion. In order to better define the origin of such a phenomenon, new observations have been carried out to detect faint signatures of other highly ionized species in the short UV wavelength range, where the stellar continuum flux is low. These observations reveal variations not only near the C IV doublet lines, but also in C I and Al II lines, two weakly ionized species, not clearly detectable until now. In the framework of an infalling body scenario, highly ionized species would be created in the tail, far from the comet head, by collisions with ambient gas surrounding the star, or a weak stellar wind. Spectral changes have also been detected near a CO molecular band location, which, if confirmed, would provide the first molecular signature around Beta Pictoris.

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

PubMed Central

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

2015-01-01

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

Kinetics of homogeneous and surface-catalyzed mercury(II) reduction by iron(II)

USGS Publications Warehouse

Amirbahman, Aria; Kent, Douglas B.; Curtis, Gary P.; Marvin-DiPasquale, Mark C.

2013-01-01

Production of elemental mercury, Hg(0), via Hg(II) reduction is an important pathway that should be considered when studying Hg fate in environment. We conducted a kinetic study of abiotic homogeneous and surface-catalyzed Hg(0) production by Fe(II) under dark anoxic conditions. Hg(0) production rate, from initial 50 pM Hg(II) concentration, increased with increasing pH (5.5–8.1) and aqueous Fe(II) concentration (0.1–1 mM). The homogeneous rate was best described by the expression, rhom = khom [FeOH+] [Hg(OH)2]; khom = 7.19 × 10+3 L (mol min)−1. Compared to the homogeneous case, goethite (α-FeOOH) and hematite (α-Fe2O3) increased and γ-alumina (γ-Al2O3) decreased the Hg(0) production rate. Heterogeneous Hg(0) production rates were well described by a model incorporating equilibrium Fe(II) adsorption, rate-limited Hg(II) reduction by dissolved and adsorbed Fe(II), and rate-limited Hg(II) adsorption. Equilibrium Fe(II) adsorption was described using a surface complexation model calibrated with previously published experimental data. The Hg(0) production rate was well described by the expression rhet = khet [>SOFe(II)] [Hg(OH)2], where >SOFe(II) is the total adsorbed Fe(II) concentration; khet values were 5.36 × 10+3, 4.69 × 10+3, and 1.08 × 10+2 L (mol min)−1 for hematite, goethite, and γ-alumina, respectively. Hg(0) production coupled to reduction by Fe(II) may be an important process to consider in ecosystem Hg studies.

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…

On the formation and expansion of H II regions

NASA Technical Reports Server (NTRS)

Franco, Jose; Tenorio-Tagle, Guillermo; Bodenheimer, Peter

1990-01-01

The evolution of H II regions in spherical clouds with small, constant-density cores and power-law density distributions r exp -w outside the core is described analytically. It is found that there is a critical exponent above which the cloud becomes completely ionized. Its value in the formation phase depends on the initial conditions, but it has a well-defined value w(crit) = 3/2 during the expansion phase. For w less than w(crit), the radius of the H II region grows at a given rate, while neutral mass accumulates in the interphase between the ionization and shock fronts. For w = w(crit), the fronts move together without mass accumulation. Cases with w greater than w(crit) lead to the champagne phase: once the cloud is fully ionized, the expansion becomes supersonic. For self-gravitating disks without magnetic fields, the main features include a new 'variable-size' stage. The initial shape of the H II region has a critical point beyond which the disk becomes completely ionized.

Photoionized Mixing Layer Models of the Diffuse Ionized Gas

NASA Astrophysics Data System (ADS)

Binette, Luc; Flores-Fajardo, Nahiely; Raga, Alejandro C.; Drissen, Laurent; Morisset, Christophe

2009-04-01

It is generally believed that O stars, confined near the galactic midplane, are somehow able to photoionize a significant fraction of what is termed the "diffuse ionized gas" (DIG) of spiral galaxies, which can extend up to 1-2 kpc above the galactic midplane. The heating of the DIG remains poorly understood, however, as simple photoionization models do not reproduce the observed line ratio correlations well or the DIG temperature. We present turbulent mixing layer (TML) models in which warm photoionized condensations are immersed in a hot supersonic wind. Turbulent dissipation and mixing generate an intermediate region where the gas is accelerated, heated, and mixed. The emission spectrum of such layers is compared with observations of Rand of the DIG in the edge-on spiral NGC 891. We generate two sequence of models that fit the line ratio correlations between [S II]/Hα, [O I]/Hα, [N II]/[S II], and [O III]/Hβ reasonably well. In one sequence of models, the hot wind velocity increases, while in the other, the ionization parameter and layer opacity increase. Despite the success of the mixing layer models, the overall efficiency in reprocessing the stellar UV is much too low, much less than 1%, which compels us to reject the TML model in its present form.

Solar flare model atmospheres

NASA Technical Reports Server (NTRS)

Hawley, Suzanne L.; Fisher, George H.

1993-01-01

Solar flare model atmospheres computed under the assumption of energetic equilibrium in the chromosphere are presented. The models use a static, one-dimensional plane parallel geometry and are designed within a physically self-consistent coronal loop. Assumed flare heating mechanisms include collisions from a flux of non-thermal electrons and x-ray heating of the chromosphere by the corona. The heating by energetic electrons accounts explicitly for variations of the ionized fraction with depth in the atmosphere. X-ray heating of the chromosphere by the corona incorporates a flare loop geometry by approximating distant portions of the loop with a series of point sources, while treating the loop leg closest to the chromospheric footpoint in the plane-parallel approximation. Coronal flare heating leads to increased heat conduction, chromospheric evaporation and subsequent changes in coronal pressure; these effects are included self-consistently in the models. Cooling in the chromosphere is computed in detail for the important optically thick HI, CaII and MgII transitions using the non-LTE prescription in the program MULTI. Hydrogen ionization rates from x-ray photo-ionization and collisional ionization by non-thermal electrons are included explicitly in the rate equations. The models are computed in the 'impulsive' and 'equilibrium' limits, and in a set of intermediate 'evolving' states. The impulsive atmospheres have the density distribution frozen in pre-flare configuration, while the equilibrium models assume the entire atmosphere is in hydrostatic and energetic equilibrium. The evolving atmospheres represent intermediate stages where hydrostatic equilibrium has been established in the chromosphere and corona, but the corona is not yet in energetic equilibrium with the flare heating source. Thus, for example, chromospheric evaporation is still in the process of occurring.

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

PubMed

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

2014-10-07

Equilibrium partitioning (EqP) theory is currently the most widely used approach for linking sediment pollution by persistent hydrophobic organic chemicals to bioaccumulation. Most applications of the EqP approach assume (I) a generic relationship between organic carbon-normalized chemical concentrations in sediments and lipid-normalized concentrations in biota and (II) that bioaccumulation does not induce levels exceeding those expected from equilibrium partitioning. Here, we demonstrate that assumption I can be obviated by equilibrating a silicone sampler with chemicals in sediment, measuring chemical concentrations in the silicone, and applying lipid/silicone partition ratios to yield concentrations in lipid at thermodynamic equilibrium with the sediment (CLip⇌Sed). Furthermore, we evaluated the validity of assumption II by comparing CLip⇌Sed of selected persistent, bioaccumulative and toxic pollutants (polychlorinated biphenyls (PCBs) and hexachlorobenzene (HCB)) to lipid-normalized concentrations for a range of biota from a Swedish background lake. PCBs in duck mussels, roach, eel, pikeperch, perch and pike were mostly below the equilibrium partitioning level relative to the sediment, i.e., lipid-normalized concentrations were ≤CLip⇌Sed, whereas HCB was near equilibrium between biota and sediment. Equilibrium sampling allows straightforward, sensitive and precise measurement of CLip⇌Sed. We propose CLip⇌Sed as a metric of the thermodynamic potential for bioaccumulation of persistent organic chemicals from sediment useful to prioritize management actions to remediate contaminated sites.

A bimodal dust grain distribution in the IC 434 H ii region

NASA Astrophysics Data System (ADS)

Ochsendorf, B. B.; Tielens, A. G. G. M.

2015-04-01

Context. Studies of dust evolution and processing in different phases of the interstellar medium (ISM) is essential to understanding the lifecycle of dust in space. Recent results have challenged the capabilities and validity of current dust models, indicating that the properties of interstellar dust evolve as it transits between different phases of the ISM. Aims: We characterize the dust content from the IC 434 H ii region, and present a scenario that results in the large-scale structure of the region seen to date. Methods: We conduct a multi-wavelength study of the dust emission from the ionized gas, and combine this with modeling, from large scales that provide insight into the history of the IC 434/L1630 region, to small scales that allow us to infer quantitative properties of the dust content inside the H ii region. Results: The dust enters the H ii region through momentum transfer with a champagne flow of ionized gas, set up by a chance encounter between the L1630 molecular cloud and the star cluster of σ Ori. We observe two clearly separated dust populations inside the ionized gas, that show different observational properties, as well as contrasting optical properties. Population A is colder (~25 K) than predicted by widely-used dust models, its temperature is insensitive to an increase of the impinging radiation field, it is momentum-coupled to the gas, and efficiently absorbs radiation pressure to form a dust wave at 1.0 pc ahead of σ Ori AB. Population B is characterized by a constant [20/30] flux ratio throughout the H ii region, heats up to ~75 K close to the star, and is less efficient in absorbing radiation pressure, forming a dust wave at 0.1 pc from the star. Conclusions: The dust inside IC 434 is bimodal. The characteristics of population A are remarkable and cannot be explained by current dust models. We argue that large porous grains or fluffy aggregates are potential candidates to explain much of the observational characteristics. Population B

Theoretical electron-impact-ionization cross section for Fe11+ forming Fe12+

NASA Astrophysics Data System (ADS)

Kwon, Duck-Hee; Savin, Daniel Wolf

2012-08-01

We have calculated cross sections for electron impact ionization (EII) of P-like Fe11+ forming Si-like Fe12+. We have used the flexible atomic code (FAC) and a distorted-wave (DW) approximation. Particular attention has been paid to the ionization through the 3l→nl' and 2l→nl' excitation autoionization (EA) channels. We compare our results to previously published FAC DW results and recent experimental results. We find that the previous discrepancy between theory and experiment at the EII threshold can be accounted for by the 3l→nl' EA channels which were not included in the earlier calculations. At higher energies the discrepancy previously seen between theory and experiment for the magnitude of the 2l→nl'(n≥4) EA remains, though the difference has been reduced by our newer results. The resulting Maxwellian rate coefficient derived from our calculations lies within 11% of the experimentally derived rate coefficient in the temperature range where Fe11+ forms in collisional ionization equilibrium.

Kinetics and equilibrium modelling of lead uptake by algae Gelidium and algal waste from agar extraction industry.

PubMed

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

2007-05-08

Pb(II) biosorption onto algae Gelidium, algal waste from agar extraction industry and a composite material was studied. Discrete and continuous site distribution models were used to describe the biosorption equilibrium at different pH (5.3, 4 and 3), considering competition among Pb(II) ions and protons. The affinity distribution function of Pb(II) on the active sites was calculated by the Sips distribution. The Langmuir equilibrium constant was compared with the apparent affinity calculated by the discrete model, showing higher affinity for lead ions at higher pH values. Kinetic experiments were conducted at initial Pb(II) concentrations of 29-104 mgl(-1) and data fitted to pseudo-first Lagergren and second-order models. The adsorptive behaviour of biosorbent particles was modelled using a batch mass transfer kinetic model, which successfully predicts Pb(II) concentration profiles at different initial lead concentration and pH, and provides significant insights on the biosorbents performance. Average values of homogeneous diffusivity, D(h), are 3.6 x 10(-8); 6.1 x 10(-8) and 2.4 x 10(-8)cm(2)s(-1), respectively, for Gelidium, algal waste and composite material. The concentration of lead inside biosorbent particles follows a parabolic profile that becomes linear near equilibrium.

Chemical protection against ionizing radiation. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 tomore » 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.« less

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.

Analysis of transition-metal acetylacetonate complexes by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

PubMed

Wyatt, Mark F; Havard, Stephen; Stein, Bridget K; Brenton, A Gareth

2008-01-01

Transition-metal acetylacetonate complexes of the form Metal(acac)(2), where Metal = Fe(II), Co(II), Ni(II), Cu(II), and Zn(II), and Metal(acac)(3), where Metal = V(III), Cr(III), Mn(III), Fe(III), and Co(III), were investigated by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS). The data was acquired using the aprotic, electron transfer matrix, 2-[(2E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]malononitrile (DCTB), and the observation of positive radical ions is shown clearly to depend on the metal element and the oxidation state it occupies. The ionization energy of DCTB was calculated to be 8.08 eV by density functional theory methods, which is notably lower than the experimental value, but within the range of other computational values. This value is very close to those of the analytes, so the existing electron transfer mechanism which is based on the ionization energies of the matrix and analyte, cannot be used predictively. Similarly, the data neither proves nor disproves the validity of the existing electron transfer ionization mechanism, with respect to metal coordination complexes without strong chromophores. In this case, periodic trends may be more useful in explaining the observed species and the prediction of species from sets of similar complexes. The addition of a sodium salt benefits the MALDI-TOFMS characterization of certain compounds studied, but the benefit of the addition of ammonium or silver salts is negligible.

Local shear instabilities in weakly ionized, weakly magnetized disks

NASA Technical Reports Server (NTRS)

Blaes, Omer M.; Balbus, Steven A.

1994-01-01

We extend the analysis of axisymmetric magnetic shear instabilities from ideal magnetohydrodynamic (MHD) flows to weakly ionized plasmas with coupling between ions and neutrals caused by collisions, ionization, and recombination. As part of the analysis, we derive the single-fluid MHD dispersion relation without invoking the Boussinesq approximation. This work expands the range of applications of these instabilities from fully ionized accretion disks to molecular disks in galaxies and, with somewhat more uncertainty, to protostellar disks. Instability generally requires the angular velocity to decrease outward, the magnetic field strengths to be subthermal, and the ions and neutrals to be sufficiently well coupled. If ionization and recombination processes can be neglected on an orbital timescale, adequate coupling is achieved when the collision frequency of a given neutral with the ions exceeds the local epicyclic freqency. When ionization equilibrium is maintained on an orbital timescale, a new feature is present in the disk dynamics: in contrast to a single-fluid system, subthermal azimuthal fields can affect the axisymmetric stability of weakly ionized two-fluid systems. We discuss the underlying causes for this behavior. Azimuthal fields tend to be stabilizing under these circumstances, and good coupling between the neutrals and ions requires the collision frequency to exceed the epicyclic frequency by a potentially large secant factor related to the magnetic field geometry. When the instability is present, subthermal azimuthal fields may also reduce the growth rate unless the collision frequency is high, but this is important only if the field strengths are very subthermal and/or the azimuthal field is the dominant field component. We briefly discuss our results in the context of the Galactic center circumnuclear disk, and suggest that the shear instability might be present there, and be responsible for the observed turbulent motions.

Stokes-attenuated tunneling ionization of molecules

NASA Astrophysics Data System (ADS)

Kornev, Aleksei S.; Zon, Boris A.

2018-03-01

We set forth the quantum theory of ionic vibrational-level population by means of tunneling ionization of a molecule. Specific calculations are carried out for the H2 molecule. The results are in qualitative agreement with the experimental data [X. Urbain et al., Phys. Rev. Lett. 92, 163004 (2004), 10.1103/PhysRevLett.92.163004]. Our account for the excited vibrational levels reveals an interplay of two tendencies which contribute to the ionization rate: (i) It decreases due to additional energy absorption needed to populate these states and (ii) it increases together with the Franck-Condon factors which are large for these states. We show that these two tendencies practically compensate each other. The average quantitative disagreement between the theory and experiment amounts to ˜30 %. The same disagreement takes place when using the frozen approximation for the description of the nuclei motion. We demonstrated that the light-dressing effect for H2 leads to the dependence of the ionization rate on the angle between the molecule axis and the polarization vector of the radiation.

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.

Response of GaAs charge storage devices to transient ionizing radiation

NASA Astrophysics Data System (ADS)

Hetherington, D. L.; Klem, J. F.; Hughes, R. C.; Weaver, H. T.

Charge storage devices in which non-equilibrium depletion regions represent stored charge are sensitive to ionizing radiation. This results since the radiation generates electron-hole pairs that neutralize excess ionized dopant charge. Silicon structures, such as dynamic RAM or CCD cells are particularly sensitive to radiation since carrier diffusion lengths in this material are often much longer than the depletion width, allowing collection of significant quantities of charge from quasi-neutral sections of the device. For GaAs the situation is somewhat different in that minority carrier diffusion lengths are shorter than in silicon, and although mobilities are higher, we expect a reduction of radiation sensitivity as suggested by observations of reduced quantum efficiency in GaAs solar cells. Dynamic memory cells in GaAs have potential increased retention times. In this paper, we report the response of a novel GaAs dynamic memory element to transient ionizing radiation. The charge readout technique is nondestructive over a reasonable applied voltage range and is more sensitive to stored charge than a simple capacitor.

Electron-impact Ionization of P-like Ions Forming Si-like Ions

NASA Astrophysics Data System (ADS)

Kwon, D.-H.; Savin, D. W.

2014-03-01

We have calculated electron-impact ionization (EII) for P-like systems from P to Zn15 + forming Si-like ions. The work was performed using the flexible atomic code (FAC) which is based on a distorted-wave approximation. All 3l → nl' (n = 3-35) excitation-autoionization (EA) channels near the 3p direct ionization threshold and 2l → nl' (n = 3-10) EA channels at the higher energies are included. Close attention has been paid to the detailed branching ratios. Our calculated total EII cross sections are compared both with previous FAC calculations, which omitted many of these EA channels, and with the available experimental results. Moreover, for Fe11 +, we find that part of the remaining discrepancies between our calculations and recent measurements can be accounted for by the inclusion of the resonant excitation double autoionization process. Lastly, at the temperatures where each ion is predicted to peak in abundances in collisional ionization equilibrium, the Maxwellian rate coefficients derived from our calculations differ by 50%-7% from the previous FAC rate coefficients, with the difference decreasing with increasing charge.

Ionization balance in Titan's nightside ionosphere

NASA Astrophysics Data System (ADS)

Vigren, E.; Galand, M.; Yelle, R. V.; Wellbrock, A.; Coates, A. J.; Snowden, D.; Cui, J.; Lavvas, P.; Edberg, N. J. T.; Shebanits, O.; Wahlund, J.-E.; Vuitton, V.; Mandt, K.

2015-03-01

Based on a multi-instrumental Cassini dataset we make model versus observation comparisons of plasma number densities, nP = (nenI)1/2 (ne and nI being the electron number density and total positive ion number density, respectively) and short-lived ion number densities (N+, CH2+, CH3+, CH4+) in the southern hemisphere of Titan's nightside ionosphere over altitudes ranging from 1100 and 1200 km and from 1100 to 1350 km, respectively. The nP model assumes photochemical equilibrium, ion-electron pair production driven by magnetospheric electron precipitation and dissociative recombination as the principal plasma neutralization process. The model to derive short-lived-ion number densities assumes photochemical equilibrium for the short-lived ions, primary ion production by electron-impact ionization of N2 and CH4 and removal of the short-lived ions through reactions with CH4. It is shown that the models reasonably reproduce the observations, both with regards to nP and the number densities of the short-lived ions. This is contrasted by the difficulties in accurately reproducing ion and electron number densities in Titan's sunlit ionosphere.

Weakly ionized cosmic gas: Ionization and characterization

NASA Technical Reports Server (NTRS)

Rosenberg, M.; Mendis, D. A.; Chow, V. W.

1994-01-01

Since collective plasma behavior may determine important transport processes (e.g., plasma diffusion across a magnetic field) in certain cosmic environments, it is important to delineate the parameter space in which weakly ionized cosmic gases may be characterized as plasmas. In this short note, we do so. First, we use values for the ionization fraction given in the literature, wherein the ionization is generally assumed to be due primarily to ionization by cosmic rays. We also discuss an additional mechanism for ionization in such environments, namely, the photoelectric emission of electrons from cosmic dust grains in an interstellar Far Ultra Violet (FUV) radiation field. Simple estimates suggest that under certain conditions this mechanism may dominate cosmic ray ionization, and possibly also the photoionization of metal atoms by the interstellar FUV field, and thereby lead to an enhanced ionization level.

Improving high-altitude emp modeling capabilities by using a non-equilibrium electron swarm model to monitor conduction electron evolution

NASA Astrophysics Data System (ADS)

Pusateri, Elise Noel

An Electromagnetic Pulse (EMP) can severely disrupt the use of electronic devices in its path causing a significant amount of infrastructural damage. EMP can also cause breakdown of the surrounding atmosphere during lightning discharges. This makes modeling EMP phenomenon an important research effort in many military and atmospheric physics applications. EMP events include high-energy Compton electrons or photoelectrons that ionize air and produce low energy conduction electrons. A sufficient number of conduction electrons will damp or alter the EMP through conduction current. Therefore, it is important to understand how conduction electrons interact with air in order to accurately predict the EMP evolution and propagation in the air. It is common for EMP simulation codes to use an equilibrium ohmic model for computing the conduction current. Equilibrium ohmic models assume the conduction electrons are always in equilibrium with the local instantaneous electric field, i.e. for a specific EMP electric field, the conduction electrons instantaneously reach steady state without a transient process. An equilibrium model will work well if the electrons have time to reach their equilibrium distribution with respect to the rise time or duration of the EMP. If the time to reach equilibrium is comparable or longer than the rise time or duration of the EMP then the equilibrium model would not accurately predict the conduction current necessary for the EMP simulation. This is because transport coefficients used in the conduction current calculation will be found based on equilibrium reactions rates which may differ significantly from their non-equilibrium values. We see this deficiency in Los Alamos National Laboratory's EMP code, CHAP-LA (Compton High Altitude Pulse-Los Alamos), when modeling certain EMP scenarios at high altitudes, such as upward EMP, where the ionization rate by secondary electrons is over predicted by the equilibrium model, causing the EMP to short

Adsorption of Zn(II) and Cd(II) ions in batch system by using the Eichhornia crassipes.

PubMed

Módenes, A N; Espinoza-Quiñones, F R; Borba, C E; Trigueros, D E G; Lavarda, F L; Abugderah, M M; Kroumov, A D

2011-01-01

In this work, the displacement effects on the sorption capacities of zinc and cadmium ions of the Eichornia crassipes-type biosorbent in batch binary system has been studied. Preliminary single metal sorption experiments were carried out. An improvement on the Zn(II) and Cd(II) ions removal was achieved by working at 30 °C temperature and with non-uniform biosorbent grain sizes. A 60 min equilibrium time was achieved for both Zn(II) and Cd(II) ions. Furthermore, it was found that the overall kinetic data were best described by the pseudo second-order kinetic model. Classical multi-component adsorption isotherms have been tested as well as a modified extended Langmuir isotherm model, showing good agreement with the equilibrium binary data. Around 0.65 mequiv./g maximum metal uptake associated with the E. crassipes biosorbent was attained and the E. crassipes biosorbent has shown higher adsorption affinity for the zinc ions than for the cadmium ones in the binary system.

Interstellar matter in Shapley-Ames elliptical galaxies. II. The distribution of dust and ionized gas

NASA Astrophysics Data System (ADS)

Goudfrooij, P.; Hansen, L.; Jorgensen, H. E.; Norgaard-Nielsen, H. U.

1994-06-01

We present results of deep optical CCD imaging for a complete, optical magnitude-limited sample of 56 elliptical galaxies from the RSA catalog. For each galaxy we have obtained broad-band images (in B, V, and I) and narrow-band images using interference filters isolating the Hα+[NII] emission lines to derive the amount and morphology of dust and ionized gas. Detailed consideration of systematic errors due to effects of sky background subtraction and removal of stellar continuum light from the narrow-band images is described. The flux calibration of the narrow-band images is performed by deconvolving actually measured spectral energy distributions with the filter transmission curves. We also present optical long-slit spectroscopy to determine the [NII]/Hα intensity ratio of the ionized gas. Dust lanes and/or patches have been detected in 23 galaxies (41%) from this sample using both colour-index images and division by purely elliptical model images. We achieved a detection limit for dust absorption of A_B_~0.02. Accounting for selection effects, the true fraction of elliptical galaxies containing dust is estimated to be of order 80%. This detection rate is comparable to that of the IRAS satellite, and significantly larger than results of previous optical studies. Ionized gas has been detected in 32 galaxies (57%). The spectroscopic data confirm the presence and distribution of ionized gas as seen in the direct imaging. All elliptical galaxies in our sample in which a number of emission lines is detected show very similar emission-line intensity ratios, which are typical of LINER nuclei. The amounts of detectable dust and ionized gas are generally small--of order 10^4^-10^5^Msun_ of dust and 10^3^-10^4^Msun_ of ionized gas. The dust and ionized gas show a wide variety of distributions-extended along either the apparent major axis, or the minor axis, or a skewed axis, indicating that triaxiality is in general required as a galaxy figure. In some cases (NGC 1275, NGC

Electron Impact Multiple Ionization Cross Sections for Solar Physics

NASA Astrophysics Data System (ADS)

Hahn, M.; Savin, D. W.; Mueller, A.

2017-12-01

We have compiled a set of electron-impact multiple ionization (EIMI) cross sections for astrophysically relevant ions. EIMI can have a significant effect on the ionization balance of non-equilibrium plasmas. For example, it can be important if there is a rapid change in the electron temperature, as in solar flares or in nanoflare coronal heating. EIMI is also likely to be significant when the electron energy distribution is non-thermal, such as if the electrons follow a kappa distribution. Cross sections for EIMI are needed in order to account for these processes in plasma modeling and for spectroscopic interpretation. Here, we describe our comparison of proposed semiempirical formulae to the available experimental EIMI cross section data. Based on this comparison, we have interpolated and extrapolated fitting parameters to systems that have not yet been measured. A tabulation of the fit parameters is provided for thousands of EIMI cross sections. We also highlight some outstanding issues that remain to be resolved.

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

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.

The Lack of Influence of Metallicity on Cooling and Collapse of Ionized Gas in Small Protogalactic Halos

NASA Astrophysics Data System (ADS)

Jappsen, A.-K.; Glover, S. C. O.; Klessen, R. S.; Mac Low, M.-M.

2005-12-01

We study the influence of low levels of metal enrichment on the cooling and collapse of ionized gas in small protogalactic halos. We use three-dimensional, smoothed particle hydrodynamics simulations, run with the publicly available parallel code GADGET (Springel et al. 2001). We implement a sink particle algorithm. This allows us to safely represent gas that has collapsed beyond the resolution limit without causing numerical errors within the resolved regions of the simulation. We also include the necessary framework for following the non-equilibrium chemistry of H2 in the protogalactic gas, and a treatment of radiative heating and cooling. Our initial conditions represent protogalaxies forming within a fossil H ii region---a previously ionized H ii region that has not yet had time to cool and recombine. Prior to cosmological reionization, such regions should be relatively common, since the characteristic lifetimes of the likely ionizing sources are significantly shorter than a Hubble time. We show that in these regions, H2 is the dominant and most effective coolant, even in the presence of small amounts of metals. It is the amount of H2 which forms that controls whether or not the gas can collapse and form stars. For metallicities Z ≤ 10-3 Z⊙, we find that metal line cooling alters the density and temperature evolution of the gas by less than 1% compared to the metal-free case at densities below 1 cm-3 and temperatures above 2000 K. However, at higher densities and lower temperatures, metal line cooling does become rather more important, and will affect the ability of the gas to fragment. We also show that an external ultraviolet background delays or suppresses the cooling and collapse of the gas regardless of whether or not it is metal-enriched. RSK and A-KJ acknowledge support from the Emmy Noether Program of the Deutsche Forschungsgemeinschaft (grant no. KL1358/1). M-MML acknowledges support from NSF grants AST99-85392 and AST03-07854, and NASA grant NAG5

SDSS-IV MaNGA: the impact of diffuse ionized gas on emission-line ratios, interpretation of diagnostic diagrams and gas metallicity measurements

NASA Astrophysics Data System (ADS)

Zhang, Kai; Yan, Renbin; Bundy, Kevin; Bershady, Matthew; Haffner, L. Matthew; Walterbos, René; Maiolino, Roberto; Tremonti, Christy; Thomas, Daniel; Drory, Niv; Jones, Amy; Belfiore, Francesco; Sánchez, Sebastian F.; Diamond-Stanic, Aleksandar M.; Bizyaev, Dmitry; Nitschelm, Christian; Andrews, Brett; Brinkmann, Jon; Brownstein, Joel R.; Cheung, Edmond; Li, Cheng; Law, David R.; Roman Lopes, Alexandre; Oravetz, Daniel; Pan, Kaike; Storchi Bergmann, Thaisa; Simmons, Audrey

2017-04-01

Diffuse ionized gas (DIG) is prevalent in star-forming galaxies. Using a sample of 365 nearly face-on star-forming galaxies observed by Mapping Nearby Galaxies at APO, we demonstrate how DIG in star-forming galaxies impacts the measurements of emission-line ratios, hence the interpretation of diagnostic diagrams and gas-phase metallicity measurements. At fixed metallicity, DIG-dominated low ΣHα regions display enhanced [S II]/Hα, [N II]/Hα, [O II]/Hβ and [O I]/Hα. The gradients in these line ratios are determined by metallicity gradients and ΣHα. In line ratio diagnostic diagrams, contamination by DIG moves H II regions towards composite or low-ionization nuclear emission-line region (LI(N)ER)-like regions. A harder ionizing spectrum is needed to explain DIG line ratios. Leaky H II region models can only shift line ratios slightly relative to H II region models, and thus fail to explain the composite/LI(N)ER line ratios displayed by DIG. Our result favours ionization by evolved stars as a major ionization source for DIG with LI(N)ER-like emission. DIG can significantly bias the measurement of gas metallicity and metallicity gradients derived using strong-line methods. Metallicities derived using N2O2 are optimal because they exhibit the smallest bias and error. Using O3N2, R23, N2 = [N II]/Hα and N2S2Hα to derive metallicities introduces bias in the derived metallicity gradients as large as the gradient itself. The strong-line method of Blanc et al. (IZI hereafter) cannot be applied to DIG to get an accurate metallicity because it currently contains only H II region models that fail to describe the DIG.

Chromium and zinc uptake by algae Gelidium and agar extraction algal waste: kinetics and equilibrium.

PubMed

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

2007-11-19

Biosorption of chromium and zinc ions by an industrial algal waste, from agar extraction industry has been studied in a batch system. This biosorbent was compared with the algae Gelidium itself, which is the raw material for agar extraction, and the industrial waste immobilized with polyacrylonitrile (composite material). Langmuir and Langmuir-Freundlich equilibrium models describe well the equilibrium data. The parameters of Langmuir equilibrium model at pH 5.3 and 20 degrees C were for the algae, q(L)=18 mg Cr(III)g(-1) and 13 mgZn(II)g(-1), K(L) = 0.021l mg(-1)Cr(III) and 0.026l mg(-1) Zn(II); for the algal waste, q(L)=12 mgCr(III)g(-1) and 7mgZn(II)g(-1), K(L)=0.033lmg(-1) Cr(III) and 0.042l mg(-1) Zn(II); for the composite material, q(L) = 9 mgCr(III)g(-1) and 6 mgZn(II)g(-1), K(L)=0.032l mg(-1)Cr(III) and 0.034l mg(-1)Zn(II). The biosorbents exhibited a higher preference for Cr(III) ions and algae Gelidium is the best one. The pseudo-first-order Lagergren and pseudo-second-order models fitted well the kinetic data for the two metal ions. Kinetic constants and equilibrium uptake concentrations given by the pseudo-second-order model for an initial Cr(III) and Zn(II) concentration of approximately 100 mgl(-1), at pH 5.3 and 20 degrees C were k(2,ads)=0.04 g mg(-1)Cr(III)min(-1) and 0.07 g mg(-1)Zn(II)min(-1), q(eq)=11.9 mgCr(III)g(-1) and 9.5 mgZn(II)g(-1) for algae; k(2,ads)=0.17 g mg(-1)Cr(III)min(-1) and 0.19 g mg(-1)Zn(II)min(-1), q(eq)=8.3 mgCr(III)g(-1) and 5.6 mgZn(II)g(-1) for algal waste; k(2,ads)=0.01 g mg(-1)Cr(III)min(-1) and 0.18 g mg(-1)Zn(II)min(-1), q(eq)=8.0 mgCr(III)g(-1) and 4.4 mgZn(II)g(-1) for composite material. Biosorption was modelled using a batch adsorber mass transfer kinetic model, which successfully predicts Cr(III) and Zn(II) concentration profiles. The calculated average homogeneous diffusivities, D(h), were 4.2 x 10(-8), 8.3 x 10(-8) and 1.4 x 10(-8)cm(2)s(-1) for Cr(III) and 4.8 x 10(-8), 9.7 x 10(-8) and 6.2 x 10(-8)cm(2)s(-1

Multi-fluid Modeling of Magnetosonic Wave Propagation in the Solar Chromosphere: Effects of Impact Ionization and Radiative Recombination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maneva, Yana G.; Laguna, Alejandro Alvarez; Poedts, Stefaan

2017-02-20

In order to study chromospheric magnetosonic wave propagation including, for the first time, the effects of ion–neutral interactions in the partially ionized solar chromosphere, we have developed a new multi-fluid computational model accounting for ionization and recombination reactions in gravitationally stratified magnetized collisional media. The two-fluid model used in our 2D numerical simulations treats neutrals as a separate fluid and considers charged species (electrons and ions) within the resistive MHD approach with Coulomb collisions and anisotropic heat flux determined by Braginskiis transport coefficients. The electromagnetic fields are evolved according to the full Maxwell equations and the solenoidality of the magneticmore » field is enforced with a hyperbolic divergence-cleaning scheme. The initial density and temperature profiles are similar to VAL III chromospheric model in which dynamical, thermal, and chemical equilibrium are considered to ensure comparison to existing MHD models and avoid artificial numerical heating. In this initial setup we include simple homogeneous flux tube magnetic field configuration and an external photospheric velocity driver to simulate the propagation of MHD waves in the partially ionized reactive chromosphere. In particular, we investigate the loss of chemical equilibrium and the plasma heating related to the steepening of fast magnetosonic wave fronts in the gravitationally stratified medium.« less

Broad absorption line symbiotic stars: highly ionized species in the fast outflow from MWC 560

NASA Astrophysics Data System (ADS)

Lucy, Adrian B.; Knigge, Christian; Sokoloski, J. L.

2018-07-01

In symbiotic binaries, jets and disc winds may be integral to the physics of accretion on to white dwarfs from cool giants. The persistent outflow from symbiotic star MWC 560 (≡V694 Mon) is known to manifest as broad absorption lines (BALs), most prominently at the Balmer transitions. We report the detection of high-ionization BALs from C IV, Si IV, N V, and He II in International Ultraviolet Explorer spectra obtained on 1990 April 29-30, when an optical outburst temporarily erased the obscuring `iron curtain' of absorption troughs from Fe II and similar ions. The C IV and Si IV BALs reached maximum radial velocities at least 1000 km s-1 higher than contemporaneous Mg II and He II BALs; the same behaviours occur in the winds of quasars and cataclysmic variables. An iron curtain lifts to unveil high-ionization BALs during the P Cygni phase observed in some novae, suggesting by analogy a temporary switch in MWC 560 from persistent outflow to discrete mass ejection. At least three more symbiotic stars exhibit broad absorption with blue edges faster than 1500 km s-1; high-ionization BALs have been reported in AS 304 (≡V4018 Sgr), while transient Balmer BALs have been reported in Z And and CH Cyg. These BAL-producing fast outflows can have wider opening angles than has been previously supposed. BAL symbiotics are short-time-scale laboratories for their giga-scale analogues, broad absorption line quasars (BALQSOs), which display a similarly wide range of ionization states in their winds.

Broad absorption line symbiotic stars: highly ionized species in the fast outflow from MWC 560

NASA Astrophysics Data System (ADS)

Lucy, Adrian B.; Knigge, Christian; Sokoloski, J. L.

2018-04-01

In symbiotic binaries, jets and disk winds may be integral to the physics of accretion onto white dwarfs from cool giants. The persistent outflow from symbiotic star MWC 560 (≡V694 Mon) is known to manifest as broad absorption lines (BALs), most prominently at the Balmer transitions. We report the detection of high-ionization BALs from C IV, Si IV, N V, and He II in International Ultraviolet Explorer spectra obtained on 1990 April 29 - 30, when an optical outburst temporarily erased the obscuring `iron curtain' of absorption troughs from Fe II and similar ions. The C IV and Si IV BALs reached maximum radial velocities at least 1000 km s-1 higher than contemporaneous Mg II and He II BALs; the same behaviors occur in the winds of quasars and cataclysmic variables. An iron curtain lifts to unveil high-ionization BALs during the P Cygni phase observed in some novae, suggesting by analogy a temporary switch in MWC 560 from persistent outflow to discrete mass ejection. At least three more symbiotic stars exhibit broad absorption with blue edges faster than 1500 km s-1; high-ionization BALs have been reported in AS 304 (≡V4018 Sgr), while transient Balmer BALs have been reported in Z And and CH Cyg. These BAL-producing fast outflows can have wider opening angles than has been previously supposed. BAL symbiotics are short-timescale laboratories for their giga-scale analogs, broad absorption line quasars (BALQSOs), which display a similarly wide range of ionization states in their winds.

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

DOE PAGES

Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; ...

2015-08-04

Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Importantmore » swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.« less

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.

Fast Ionized X-Ray Absorbers in AGNs

NASA Technical Reports Server (NTRS)

Fukumura, K.; Tombesi, F.; Kazanas, D.; Shrader, C.; Behar, E.; Contopoulos, I.

2016-01-01

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(sub H), line-of-sight (LoS) velocity v, ionization parameter xi, among others. Assuming that the wind density scales as n varies as r(exp. -1), we calculate theoretical absorption measure distribution (AMD) for various ions seen in AGNs as well as line spectra especially for the Fe K alpha 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.

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.

Detailed Numerical Simulations on the Formation of Pillars Around H II Regions

NASA Astrophysics Data System (ADS)

Gritschneder, Matthias; Burkert, Andreas; Naab, Thorsten; Walch, Stefanie

2010-11-01

We study the structural evolution of turbulent molecular clouds under the influence of ionizing radiation emitted from a nearby massive star by performing a high-resolution parameter study with the iVINE code. The temperature is taken to be 10 K or 100 K, the mean number density is either 100 cm-3 or 300 cm-3. Furthermore, the turbulence is varied between Mach 1.5 and Mach 12.5, the main driving scale of the turbulence is varied between 1 pc and 8 pc. We vary the ionizing flux by an order of magnitude, corresponding to allowing between 0.5% and 5% of the mass in the domain to be ionized immediately. In our simulations, the ionizing radiation enhances the initial turbulent density distribution and thus leads to the formation of pillar-like structures observed adjacent to H II regions in a natural way. Gravitational collapse occurs regularly at the tips of the structures. We find a clear correlation between the initial state of the turbulent cold cloud and the final morphology and physical properties of the structures formed. The most favorable regime for the formation of pillars is Mach 4-10. Structures and therefore stars only form if the initial density contrast between the high-density unionized gas and the gas that is going to be ionized is lower than the temperature contrast between the hot and the cold gas. The density of the resulting pillars is determined by a pressure equilibrium between the hot and the cold gas. A thorough analysis of the simulations shows that the complex kinematical and geometrical structure of the formed elongated filaments reflects that of observed pillars to an impressive level of detail. In addition, we find that the observed line-of-sight velocities allow for a distinct determination of different formation mechanisms. Comparing the current simulations to previous results and recent observations, we conclude that, e.g., the pillars of creation in M16 formed by the mechanism proposed here and not by the radiation driven implosion of

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...

Study of diffuse H II regions potentially forming part of the gas streams around Sgr A*

NASA Astrophysics Data System (ADS)

Armijos-Abendaño, J.; López, E.; Martín-Pintado, J.; Báez-Rubio, A.; Aravena, M.; Requena-Torres, M. A.; Martín, S.; Llerena, M.; Aldás, F.; Logan, C.; Rodríguez-Franco, A.

2018-05-01

We present a study of diffuse extended ionized gas towards three clouds located in the Galactic Centre (GC). One line of sight (LOS) is towards the 20 km s-1 cloud (LOS-0.11) in the Sgr A region, another LOS is towards the 50 km s-1 cloud (LOS-0.02), also in Sgr A, while the third is towards the Sgr B2 cloud (LOS+0.693). The emission from the ionized gas is detected from Hnα and Hmβ radio recombination lines (RRLs). Henα and Hemβ RRL emission is detected with the same n and m as those from the hydrogen RRLs only towards LOS+0.693. RRLs probe gas with positive and negative velocities towards the two Sgr A sources. The Hmβ to Hnα ratios reveal that the ionized gas is emitted under local thermodynamic equilibrium conditions in these regions. We find a He to H mass fraction of 0.29±0.01 consistent with the typical GC value, supporting the idea that massive stars have increased the He abundance compared to its primordial value. Physical properties are derived for the studied sources. We propose that the negative velocity component of both Sgr A sources is part of gas streams considered previously to model the GC cloud kinematics. Associated massive stars with what are presumably the closest H II regions to LOS-0.11 (positive velocity gas), LOS-0.02, and LOS+0.693 could be the main sources of ultraviolet photons ionizing the gas. The negative velocity components of both Sgr A sources might be ionized by the same massive stars, but only if they are in the same gas stream.

IZI: INFERRING THE GAS PHASE METALLICITY (Z) AND IONIZATION PARAMETER (q) OF IONIZED NEBULAE USING BAYESIAN STATISTICS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blanc, Guillermo A.; Kewley, Lisa; Vogt, Frédéric P. A.

2015-01-10

We present a new method for inferring the metallicity (Z) and ionization parameter (q) of H II regions and star-forming galaxies using strong nebular emission lines (SELs). We use Bayesian inference to derive the joint and marginalized posterior probability density functions for Z and q given a set of observed line fluxes and an input photoionization model. Our approach allows the use of arbitrary sets of SELs and the inclusion of flux upper limits. The method provides a self-consistent way of determining the physical conditions of ionized nebulae that is not tied to the arbitrary choice of a particular SELmore » diagnostic and uses all the available information. Unlike theoretically calibrated SEL diagnostics, the method is flexible and not tied to a particular photoionization model. We describe our algorithm, validate it against other methods, and present a tool that implements it called IZI. Using a sample of nearby extragalactic H II regions, we assess the performance of commonly used SEL abundance diagnostics. We also use a sample of 22 local H II regions having both direct and recombination line (RL) oxygen abundance measurements in the literature to study discrepancies in the abundance scale between different methods. We find that oxygen abundances derived through Bayesian inference using currently available photoionization models in the literature can be in good (∼30%) agreement with RL abundances, although some models perform significantly better than others. We also confirm that abundances measured using the direct method are typically ∼0.2 dex lower than both RL and photoionization-model-based abundances.« less

The Origins of [C ii] Emission in Local Star-forming Galaxies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Croxall, K. V.; Smith, J. D.; Pellegrini, E.

The [C ii] 158 μ m fine-structure line is the brightest emission line observed in local star-forming galaxies. As a major coolant of the gas-phase interstellar medium, [C ii] balances the heating, including that due to far-ultraviolet photons, which heat the gas via the photoelectric effect. However, the origin of [C ii] emission remains unclear because C{sup +} can be found in multiple phases of the interstellar medium. Here we measure the fractions of [C ii] emission originating in the ionized and neutral gas phases of a sample of nearby galaxies. We use the [N ii] 205 μ m fine-structuremore » line to trace the ionized medium, thereby eliminating the strong density dependence that exists in the ratio of [C ii]/[N ii] 122 μ m. Using the FIR [C ii] and [N ii] emission detected by the KINGFISH (Key Insights on Nearby Galaxies: a Far- Infrared Survey with Herschel ) and Beyond the Peak Herschel programs, we show that 60%–80% of [C ii] emission originates from neutral gas. We find that the fraction of [C ii] originating in the neutral medium has a weak dependence on dust temperature and the surface density of star formation, and has a stronger dependence on the gas-phase metallicity. In metal-rich environments, the relatively cooler ionized gas makes substantially larger contributions to total [C ii] emission than at low abundance, contrary to prior expectations. Approximate calibrations of this metallicity trend are provided.« less

The II Zw 40 Supernebula

NASA Astrophysics Data System (ADS)

Leitherer, C.; Byler, N.; Lee, J. C.; Levesque, E. M.

2017-11-01

We obtained HST COS G140L spectroscopy of the enigmatic nearby blue compact dwarf galaxy II Zw 40. The galaxy hosts a nuclear super star cluster with a luminosity 10 times that of 30 Doradus, the most powerful giant HII region in the Local Group. The super star cluster has been suggested to be the ionizing source of a ”supernebula” detected via its free-free radiation in the radio. The physical conditions, however, are much more complex, as demonstrated by the detection of the nebular He II and the mid-infrared line of [O IV] 25.9. These lines are unlikely to be related to hot stars and require a different powering source. II Zw 40 shares many similarities with the related blue compact dwarfs NGC 5253 and Henize 2-10. However, II Zw 40’s UV spectrum is unique in terms of the exceptional strength of He II 1640, O III 1663 and CIII 1909. We determined reddening, age, and the stellar initial mass function and perform a comparison with the local benchmark 30 Doradus. Photoionization modeling is used to determine the origin of the nebular lines as due to stellar ionization, shocks, or powering by a black hole.

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.

Electron-impact ionization of P-like ions forming Si-like ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwon, D.-H.; Savin, D. W., E-mail: hkwon@kaeri.re.kr

2014-03-20

We have calculated electron-impact ionization (EII) for P-like systems from P to Zn{sup 15+} forming Si-like ions. The work was performed using the flexible atomic code (FAC) which is based on a distorted-wave approximation. All 3ℓ → nℓ' (n = 3-35) excitation-autoionization (EA) channels near the 3p direct ionization threshold and 2ℓ → nℓ' (n = 3-10) EA channels at the higher energies are included. Close attention has been paid to the detailed branching ratios. Our calculated total EII cross sections are compared both with previous FAC calculations, which omitted many of these EA channels, and with the available experimentalmore » results. Moreover, for Fe{sup 11+}, we find that part of the remaining discrepancies between our calculations and recent measurements can be accounted for by the inclusion of the resonant excitation double autoionization process. Lastly, at the temperatures where each ion is predicted to peak in abundances in collisional ionization equilibrium, the Maxwellian rate coefficients derived from our calculations differ by 50%-7% from the previous FAC rate coefficients, with the difference decreasing with increasing charge.« less

On the contribution of active galactic nuclei to the high-redshift metagalactic ionizing background

NASA Astrophysics Data System (ADS)

D'Aloisio, Anson; Upton Sanderbeck, Phoebe R.; McQuinn, Matthew; Trac, Hy; Shapiro, Paul R.

2017-07-01

Motivated by the claimed detection of a large population of faint active galactic nuclei (AGNs) at high redshift, recent studies have proposed models in which AGNs contribute significantly to the z > 4 H I ionizing background. In some models, AGNs are even the chief sources of reionization. If proved true, these models would make necessary a complete revision to the standard view that galaxies dominated the high-redshift ionizing background. It has been suggested that AGN-dominated models can better account for two recent observations that appear to be in conflict with the standard view: (1) large opacity variations in the z ˜ 5.5 H I Ly α forest, and (2) slow evolution in the mean opacity of the He II Ly α forest. Large spatial fluctuations in the ionizing background from the brightness and rarity of AGNs may account for the former, while the earlier onset of He II reionization in these models may account for the latter. Here we show that models in which AGN emissions source ≳50 per cent of the ionizing background generally provide a better fit to the observed H I Ly α forest opacity variations compared to standard galaxy-dominated models. However, we argue that these AGN-dominated models are in tension with constraints on the thermal history of the intergalactic medium (IGM). Under standard assumptions about the spectra of AGNs, we show that the earlier onset of He II reionization heats up the IGM well above recent temperature measurements. We further argue that the slower evolution of the mean opacity of the He II Ly α forest relative to simulations may reflect deficiencies in current simulations rather than favour AGN-dominated models as has been suggested.

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

PubMed

Niu, Yuanling; Wang, Yue; Zhou, Da

2015-12-07

The phenotypic equilibrium, i.e. heterogeneous population of cancer cells tending to a fixed equilibrium of phenotypic proportions, has received much attention in cancer biology very recently. In the previous literature, some theoretical models were used to predict the experimental phenomena of the phenotypic equilibrium, which were often explained by different concepts of stabilities of the models. Here we present a stochastic multi-phenotype branching model by integrating conventional cellular hierarchy with phenotypic plasticity mechanisms of cancer cells. Based on our model, it is shown that: (i) our model can serve as a framework to unify the previous models for the phenotypic equilibrium, and then harmonizes the different kinds of average-level stabilities proposed in these models; and (ii) path-wise convergence of our model provides a deeper understanding to the phenotypic equilibrium from stochastic point of view. That is, the emergence of the phenotypic equilibrium is rooted in the stochastic nature of (almost) every sample path, the average-level stability just follows from it by averaging stochastic samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

Massive Star Formation of the SGR a East H (sub II) Regions Near the Galactic Center

NASA Technical Reports Server (NTRS)

Yusef-Zadeh, F.; Lacy, J. H.; Wardle, M.; Whitney, B.; Bushouse, H.; Roberts, D. A.; Arendt, R. G.

2010-01-01

A group of four compact H II regions associated with the well-known 50 km/s molecular cloud is the closest site of on-going star formation to the dynamical center of the Galaxy, at a projected distance of approximately 6 pc. We present a study of ionized gas based on the [Ne II] (12.8 micron) line, as well as multi-frequency radio continuum, Hubble Space Telescope Pa alpha, and Spitzer Infrared Array Camera observations of the most compact member of the H II group, Sgr A East H II D. The radio continuum image at 6 cm shows that this source breaks up into two equally bright ionized features, D1 and D2. The spectral energy distribution of the D source is consistent with it being due to a 25 =/- 3 solar mass star with a luminosity of 8 +/- 3 x 10(exp 4) Solar luminosity . The inferred mass, effective temperature of the UV source, and the ionization rate are compatible with a young O9-B0 star. The ionized features D1 and D2 are considered to be ionized by UV radiation collimated by an accretion disk. We consider that the central massive star photoevaporates its circumstellar disk on a timescale of 3x (exp 4) years giving a mass flux approximately 3 x 10(exp -5) Solar Mass / year and producing the ionized material in D1 and D2 expanding in an inhomogeneous medium. The ionized gas kinematics, as traced by the [Ne II] emission, is difficult to interpret, but it could be explained by the interaction of a bipolar jet with surrounding gas along with what appears to be a conical wall of lower velocity gas. The other H II regions, Sgr A East A-C, have morphologies and kinematics that more closely resemble cometary flows seen in other compact H II regions, where gas moves along a paraboloidal surface formed by the interaction of a stellar wind with a molecular cloud.

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.

Pecan nutshell as biosorbent to remove Cu(II), Mn(II) and Pb(II) from aqueous solutions.

PubMed

Vaghetti, Julio C P; Lima, Eder C; Royer, Betina; da Cunha, Bruna M; Cardoso, Natali F; Brasil, Jorge L; Dias, Silvio L P

2009-02-15

In the present study we reported for the first time the feasibility of pecan nutshell (PNS, Carya illinoensis) as an alternative biosorbent to remove Cu(II), Mn(II) and Pb(II) metallic ions from aqueous solutions. The ability of PNS to remove the metallic ions was investigated by using batch biosorption procedure. The effects such as, pH, biosorbent dosage on the adsorption capacities of PNS were studied. Four kinetic models were tested, being the adsorption kinetics better fitted to fractionary-order kinetic model. Besides that, the kinetic data were also fitted to intra-particle diffusion model, presenting three linear regions, indicating that the kinetics of adsorption should follow multiple sorption rates. The equilibrium data were fitted to Langmuir, Freundlich, Sips and Redlich-Peterson isotherm models. Taking into account a statistical error function, the data were best fitted to Sips isotherm model. The maximum biosorption capacities of PNS were 1.35, 1.78 and 0.946mmolg(-1) for Cu(II), Mn(II) and Pb(II), respectively.

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

High resolution far-infrared observations of the evolved H II region M16

DOE Office of Scientific and Technical Information (OSTI.GOV)

McBreen, B.; Fazio, G.G.; Jaffe, D.T.

1982-03-01

M16 is an evolved, extremely density bounded H II region, which now consists only of a series of ionization fronts at molecular cloud boundaries. The source of ionization is the OB star cluster (NGC 6611) which is about 5 x 10/sup 6/ years old. We used the CFA/UA 102 cm balloon-borne telescope to map this region and detected three far-infrared (far-IR) sources embedded in an extended ridge of emission. Source I is an unresolved far-IR source embedded in a molecular cloud near a sharp ionization front. An H/sub 2/O maser is associated with this source, but no radio continuum emissionmore » has been observed. The other two far-IR sources (II and III) are associated with ionized gas-molecular cloud interfaces, with the far-IR radiation arising from dust at the boundary heated by the OB cluster. Source II is located at the southern prominent neutral intrusion with its associated bright rims and dark ''elephant trunk'' globules that delineate the current progress of the ionization front into the neutral material, and Source III arises at the interface of the northern molecular cloud fragment.« less

Large-scale fluctuations in the cosmic ionizing background: the impact of beamed source emission

NASA Astrophysics Data System (ADS)

Suarez, Teresita; Pontzen, Andrew

2017-12-01

When modelling the ionization of gas in the intergalactic medium after reionization, it is standard practice to assume a uniform radiation background. This assumption is not always appropriate; models with radiative transfer show that large-scale ionization rate fluctuations can have an observable impact on statistics of the Lyman α forest. We extend such calculations to include beaming of sources, which has previously been neglected but which is expected to be important if quasars dominate the ionizing photon budget. Beaming has two effects: first, the physical number density of ionizing sources is enhanced relative to that directly observed; and secondly, the radiative transfer itself is altered. We calculate both effects in a hard-edged beaming model where each source has a random orientation, using an equilibrium Boltzmann hierarchy in terms of spherical harmonics. By studying the statistical properties of the resulting ionization rate and H I density fields at redshift z ∼ 2.3, we find that the two effects partially cancel each other; combined, they constitute a maximum 5 per cent correction to the power spectrum P_{H I}(k) at k = 0.04 h Mpc-1. On very large scales (k < 0.01 h Mpc-1) the source density renormalization dominates; it can reduce, by an order of magnitude, the contribution of ionizing shot noise to the intergalactic H I power spectrum. The effects of beaming should be considered when interpreting future observational data sets.

Numerical study of the Columbia high-beta device: Torus-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Izzo, R.

1981-01-01

The ionization, heating and subsequent long-time-scale behavior of the helium plasma in the Columbia fusion device, Torus-II, is studied. The purpose of this work is to perform numerical simulations while maintaining a high level of interaction with experimentalists. The device is operated as a toroidal z-pinch to prepare the gas for heating. This ionization of helium is studied using a zero-dimensional, two-fluid code. It is essentially an energy balance calculation that follows the development of the various charge states of the helium and any impurities (primarily silicon and oxygen) that are present. The code is an atomic physics model ofmore » Torus-II. In addition to ionization, we include three-body and radiative recombination processes.« less

High Useful Yield and Isotopic Analysis of Uranium by Resonance Ionization Mass Spectrometry

DOE PAGES

Savina, Michael R.; Isselhardt, Brett H.; Kucher, Andrew; ...

2017-05-09

Useful yields from resonance ionization mass spectrometry can be extremely high compared to other mass spectrometry techniques, but uranium analysis shows strong matrix effects arising from the tendency of uranium to form strongly bound oxide molecules that do not dissociate appreciably on energetic ion bombardment. Here, we demonstrate a useful yield of 24% for metallic uranium. Modeling the laser ionization and ion transmission processes shows that the high useful yield is attributable to a high ion fraction achieved by resonance ionization. We quantify the reduction of uranium oxide surface layers by Ar + and Ga + sputtering. The useful yieldmore » for uranium atoms from a uranium dioxide matrix is 0.4% and rises to 2% when the surface is in sputter equilibrium with the ion beam. The lower useful yield from the oxide is almost entirely due to uranium oxide molecules reducing the neutral atom content of the sputtered flux. We also demonstrate rapid isotopic analysis of solid uranium oxide at a precision of <0.5% relative standard deviation using relatively broadband lasers to mitigate spectroscopic fractionation.« less

High Useful Yield and Isotopic Analysis of Uranium by Resonance Ionization Mass Spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Savina, Michael R.; Isselhardt, Brett H.; Kucher, Andrew

Useful yields from resonance ionization mass spectrometry can be extremely high compared to other mass spectrometry techniques, but uranium analysis shows strong matrix effects arising from the tendency of uranium to form strongly bound oxide molecules that do not dissociate appreciably on energetic ion bombardment. Here, we demonstrate a useful yield of 24% for metallic uranium. Modeling the laser ionization and ion transmission processes shows that the high useful yield is attributable to a high ion fraction achieved by resonance ionization. We quantify the reduction of uranium oxide surface layers by Ar + and Ga + sputtering. The useful yieldmore » for uranium atoms from a uranium dioxide matrix is 0.4% and rises to 2% when the surface is in sputter equilibrium with the ion beam. The lower useful yield from the oxide is almost entirely due to uranium oxide molecules reducing the neutral atom content of the sputtered flux. We also demonstrate rapid isotopic analysis of solid uranium oxide at a precision of <0.5% relative standard deviation using relatively broadband lasers to mitigate spectroscopic fractionation.« less

Synthesis, characterization and physicochemical studies of new chelating resin 1, 8-(3, 6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes

NASA Astrophysics Data System (ADS)

Khalil, Tarek E.; Elbadawy, Hemmat A.; El-Dissouky, Ali

2018-02-01

A new chelating resin, 1,8-(3,6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) has been synthesized by coupling Amberlite XAD-16 with (2,2‧-ethylenedithio) diethanol using pyridine/CH2Cl2 mixture as a solvent. The chelating resin and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes have been synthesized and characterized by EDS, SEM, XPS, elemental analysis, spectral (IR, UV/Vis, EPR). The thermal analysis of the resin and its metallopolymer complexes indicated an endothermic spontaneous sorption mechanism with the liberation of water of hydration of the metal ions and that adsorbed by the free resin. At the solid liquid interface, the degrees of freedom increased during the sorption of the metal ions onto the resin. The surface area of polymer support and its metallopolymer complexes are estimated by (BJH) method. The batch equilibrium method was used for studying the metal sorption and selectivity at different pH values and different contact times at room temperature. ICP-AES was used to estimate the metal capacity of the resin for sorption of Cu(II), Ni(II), Co(II) and Fe(III) from aqueous solutions utilizing the batch equilibrium method. The sorption tendency of the metal ions by the resin was found to be: Cu(II) > Fe(III) > Co(II) > Ni(II). Adsorption kinetics was found to be fit the pseudo-second order model.

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

Temperature dependence of electron impact ionization coefficient in bulk silicon

NASA Astrophysics Data System (ADS)

Ahmed, Mowfaq Jalil

2017-09-01

This work exhibits a modified procedure to compute the electron impact ionization coefficient of silicon for temperatures between 77 and 800K and electric fields ranging from 70 to 400 kV/cm. The ionization coefficients are computed from the electron momentum distribution function through solving the Boltzmann transport equation (BTE). The arrangement is acquired by joining Legendre polynomial extension with BTE. The resulting BTE is solved by differences-differential method using MATLAB®. Six (X) equivalent ellipsoidal and non-parabolic valleys of the conduction band of silicon are taken into account. Concerning the scattering mechanisms, the interval acoustic scattering, non-polar optical scattering and II scattering are taken into consideration. This investigation showed that the ionization coefficients decrease with increasing temperature. The overall results are in good agreement with previous experimental and theoretical reported data predominantly at high electric fields.

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.

ASYMMETRIC MAGNETIC RECONNECTION IN WEAKLY IONIZED CHROMOSPHERIC PLASMAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murphy, Nicholas A.; Lukin, Vyacheslav S., E-mail: namurphy@cfa.harvard.edu

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,more » 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.« less

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.

First Spectroscopic Evidence for High Ionization State and Low Oxygen Abundance in Lyα Emitters

NASA Astrophysics Data System (ADS)

Nakajima, Kimihiko; Ouchi, Masami; Shimasaku, Kazuhiro; Hashimoto, Takuya; Ono, Yoshiaki; Lee, Janice C.

2013-05-01

We present results from Keck/NIRSPEC and Magellan/MMIRS follow-up spectroscopy of Lyα emitters (LAEs) at z = 2.2 identified in our Subaru narrowband survey. We successfully detect Hα emission from seven LAEs, and perform a detailed analysis of six LAEs free from active galactic nucleus activity, two out of which, CDFS-3865 and COSMOS-30679, have [O II] and [O III] line detections. They are the first [O II]-detected LAEs at high-z, and their [O III]/[O II] ratios and R23-indices provide the first simultaneous determinations of ionization parameter and oxygen abundance for LAEs. CDFS-3865 has a very high ionization parameter (q_{ion}=2.5^{+1.7}_{-0.8} \\times 10^8 cm s-1) and a low oxygen abundance (12+log (O/H)=7.84^{+0.24}_{-0.25}) in contrast with moderate values of other high-z galaxies such as Lyman break galaxies (LBGs). COSMOS-30679 also possesses a relatively high ionization parameter (q_{ion}=8^{+10}_{-4} \\times 10^7 cm s-1) and a low oxygen abundance (12+log (O/H)=8.18^{+0.28}_{-0.28}). Both LAEs appear to fall below the mass-metallicity relation of z ~ 2 LBGs. Similarly, a low metallicity of 12 + log (O/H) < 8.4 is independently indicated for typical LAEs from a composite spectrum and the [N II]/Hα index. Such high ionization parameters and low oxygen abundances can be found in local star-forming galaxies, but this extreme local population occupies only ~0.06% of the Sloan Digital Sky Survey spectroscopic galaxy sample with a number density ~100 times smaller than that of LAEs. With their high ionization parameters and low oxygen abundances, LAEs would represent an early stage of galaxy formation dominated by massive stars in compact star-forming regions. High-q ion galaxies like LAEs would produce ionizing photons efficiently with a high escape fraction achieved by density-bounded H II regions, which would significantly contribute to cosmic reionization at z > 6. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is

Comparison of DNA decatenation by Escherichia coli topoisomerase IV and topoisomerase III: implications for non-equilibrium topology simplification

PubMed Central

Seol, Yeonee; Hardin, Ashley H.; Strub, Marie-Paule; Charvin, Gilles; Neuman, Keir C.

2013-01-01

Type II topoisomerases are essential enzymes that regulate DNA topology through a strand-passage mechanism. Some type II topoisomerases relax supercoils, unknot and decatenate DNA to below thermodynamic equilibrium. Several models of this non-equilibrium topology simplification phenomenon have been proposed. The kinetic proofreading (KPR) model postulates that strand passage requires a DNA-bound topoisomerase to collide twice in rapid succession with a second DNA segment, implying a quadratic relationship between DNA collision frequency and relaxation rate. To test this model, we used a single-molecule assay to measure the unlinking rate as a function of DNA collision frequency for Escherichia coli topoisomerase IV (topo IV) that displays efficient non-equilibrium topology simplification activity, and for E. coli topoisomerase III (topo III), a type IA topoisomerase that unlinks and unknots DNA to equilibrium levels. Contrary to the predictions of the KPR model, topo IV and topo III unlinking rates were linearly related to the DNA collision frequency. Furthermore, topo III exhibited decatenation activity comparable with that of topo IV, supporting proposed roles for topo III in DNA segregation. This study enables us to rule out the KPR model for non-equilibrium topology simplification. More generally, we establish an experimental approach to systematically control DNA collision frequency. PMID:23460205

Far-infrared observations of the evolved H II region M16

NASA Technical Reports Server (NTRS)

Mcbreen, B.; Fazio, G. G.; Jaffe, D. T.

1982-01-01

The results of far infrared (FIR) observations of the larger H II region M16, associated with the young open star cluster NGC 6611, are discussed. Three FIR sources detected on an extended ridge of FIR emission within the scanned region are described. The observations confirm that M16 is an H II region in a late stage of evolution. The H II region has expanded and is now extremely density bounded, consisting of an extended region of ionized gas and a series of ionization fronts located at the surrounding molecular cloud boundaries nearest to the exciting OB star cluster. The FIR radiation arises from heated dust at these boundaries.

Preparation of Palladium(II) Ion-Imprinted Polymeric Nanospheres and Its Removal of Palladium(II) from Aqueous Solution

NASA Astrophysics Data System (ADS)

Tao, Hu-Chun; Gu, Yi-Han; Liu, Wei; Huang, Shuai-Bin; Cheng, Ling; Zhang, Li-Juan; Zhu, Li-Li; Wang, Yong

2017-11-01

Three kinds of functional monomers, 4-vinylpridine(4-VP), 2-(allylthio)nicotinic acid(ANA), and 2-Acetamidoacrylic acid(AAA), were used to synthetize palladium(II) ion-imprinted polymeric nanospheres (Pd(II) IIPs) via precipitation-polymerization method in order to study the effects of different functional monomers on the adsorption properties of ion-imprinted materials. The results of UV spectra in order to study the interaction between template ion PdCl4 2- and functional monomers showed that there were great differences in structure after the template reacted with three functional monomers, 4-VP and ANA caused a large structural change, while AAA basically did not change. Further results on the adsorption performance of Pd(II) IIPs on Pd(II) confirmed 4-VP was the most promising candidate for the synthesis of Pd(II) IIPs with an adsorption capacity of 5.042 mg/g as compared with ANA and AAA. The influence of operating parameters on Pd(II) IIP's performance on Pd(II) adsorption was investigated. There was an increase in the adsorption capacity of Pd(II) IIPs at higher pH, temperature, and initial concentration of Pd(II). The results of multi-metal competitive adsorption experiments showed that Pd(II) IIPs had selectivity for Pd(II). An adsorption equilibrium could be reached at 180 min. Kinetic analysis showed that the adsorption test data fitted best to the pseudo-second order kinetic model, and the theoretical equilibrium adsorption capacity was about 5.085 mg/g. The adsorption isotherms of Pd(II) by Pd(II) IIPs agreed well with the Freundlich equation, suggesting a favorable adsorption reaction under optimal conditions. These results showed that Pd(II) IIPs have potential application in the removal of Pd(II) from aqueous solutions and may provide some information for the selection of functional monomers in the preparation of Pd(II) IIPs.

A detailed analysis of the high-resolution X-ray spectra of NGC 3516: variability of the ionized absorbers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huerta, E. M.; Krongold, Y.; Jimenez-Bailon, E.

2014-09-20

The 1.5 Seyfert galaxy NGC 3516 presents a strong time variability in X-rays. We re-analyzed the nine observations performed in 2006 October by XMM-Newton and Chandra in the 0.3 to 10 keV energy band. An acceptable model was found for the XMM-Newton data fitting the EPIC-PN and RGS spectra simultaneously; later, this model was successfully applied to the contemporary Chandra high-resolution data. The model consists of a continuum emission component (power law + blackbody) absorbed by four ionized components (warm absorbers), and 10 narrow emission lines. Three absorbing components are warm, producing features only in the soft X-ray band. Themore » fourth ionization component produces Fe XXV and Fe XXVI in the hard-energy band. We study the time response of the absorbing components to the well-detected changes in the X-ray luminosity of this source and find that the two components with the lower ionization state show clear opacity changes consistent with gas close to photoionization equilibrium. These changes are supported by the models and by differences in the spectral features among the nine observations. On the other hand, the two components with higher ionization state do not seem to respond to continuum variations. The response time of the ionized absorbers allows us to constrain their electron density and location. We find that one component (with intermediate ionization) must be located within the obscuring torus at a distance 2.7 × 10{sup 17} cm from the central engine. This outflowing component likely originated in the accretion disk. The three remaining components are at distances larger than 10{sup 16}-10{sup 17} cm. Two of the absorbing components in the soft X-rays have similar outflow velocities and locations. These components may be in pressure equilibrium, forming a multi-phase medium, if the gas has metallicity larger than the solar one (≳ 5 Z {sub ☉}). We also search for variations in the covering factor of the ionized absorbers (although

II Zw 40 - 30 Doradus on Steroids

NASA Astrophysics Data System (ADS)

Leitherer, Claus; Lee, Janice C.; Levesque, Emily M.

2017-11-01

We obtained HST COS G140L spectra of the enigmatic nearby blue compact dwarf galaxy II Zw 40. The galaxy hosts a nuclear super star cluster embedded in a radio-bright nebula, similar to those observed in the related blue compact dwarfs NGC 5253 and Henize 2-10. The ultraviolet spectrum of II Zw 40 is exceptional in terms of the strength of He II 1640, O III] 1666 and C III] 1909. We determined reddening, age, and the cluster mass from the ultraviolet data. The super nebula and the ionizing cluster exceed the ionizing luminosity and stellar mass of the local benchmark 30 Doradus by an order of magnitude. Comparison with stellar evolution models accounting for rotation reveals serious short-comings: these models do not account for the presence of Wolf-Rayet-like stars at young ages observed in II Zw 40. Photoionization modeling is used to probe the origin of the nebular lines and determine gas phase abundances. C/O is solar, in agreement with the result of the stellar-wind modeling.

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. Copyright © 2015 Elsevier B.V. All rights reserved.

[Ionizing and non-ionizing radiation (comparative risk estimations)].

PubMed

Grigor'ev, Iu G

2012-01-01

The population has widely used mobile communication for already more than 15 years. It is important to note that the use of mobile communication has sharply changed the conditions of daily exposure of the population to EME We expose our brain daily for the first time in the entire civilization. The mobile phone is an open and uncontrollable source of electromagnetic radiation. The comparative risk estimation for the population of ionizing and non-ionizing radiation was carried out taking into account the real conditions of influence. Comparison of risks for the population of ionizing and non-ionizing radiation leads us to a conclusion that EMF RF exposure in conditions of wide use of mobile communication is potentially more harmful than ionizing radiation influence.

Assessment of two-temperature kinetic model for dissociating and weakly-ionizing nitrogen

NASA Technical Reports Server (NTRS)

Park, C.

1986-01-01

The validity of the author's two-temperature, chemical/kinetic model which the author has recently improved is assessed by comparing the calculated results with the existing experimental data for nitrogen in the dissociating and weakly ionizing regime produced behind a normal shock wave. The computer program Shock Tube Radiation Program (STRAP) based on the two-temperature model is used in calculating the flow properties behind the shock wave and the Nonequilibrium Air Radiation (NEQAIR) program, in determining the radiative characteristics of the flow. Both programs were developed earlier. Comparison is made between the calculated and the existing shock tube data on (1) spectra in the equilibrium region, (2) rotational temperature of the N2(+) B state, (3) vibrational temperature of the N2(+) B state, (4) electronic excitation temperature of the N2 B state, (5) the shape of time-variation of radiation intensities, (6) the times to reach the peak in radiation intensity and equilibrium, and (7) the ratio of nonequilibrium to equilibrium radiative heat fluxes. Good agreement is seen between the experimental data and the present calculation except for the vibrational temperature. A possible reason for the discrepancy is given.

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.

ON THE IONIZATION OF LUMINOUS WMAP SOURCES IN THE GALAXY: CONSTRAINTS FROM He RECOMBINATION LINE OBSERVATIONS WITH THE GBT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roshi, D. Anish; Plunkett, Adele; Rosero, Viviana

2012-04-10

Murray and Raham used the Wilkinson Microwave Anisotropy Probe (WMAP) free-free foreground emission map to identify diffuse ionized regions (DIRs) in the Galaxy. It has been found that the 18 most luminous WMAP sources produce more than half of the total ionizing luminosity of the Galaxy. We observed radio recombination lines (RRLs) toward the luminous WMAP source G49.75-0.45 with the Green Bank Telescope near 1.4 GHz. Hydrogen RRL is detected toward the source but no helium line is detected, implying that n{sub He{sup +}}/n{sub H{sup +}}< 0.024. This limit puts severe constraint on the ionizing spectrum. The total ionizing luminositymore » of G49 (3.05 Multiplication-Sign 10{sup 51} s{sup -1}) is {approx}2.8 times the luminosity of all radio H II regions within this DIR and this is generally the case for other WMAP sources. Murray and Rahman propose that the additional ionization is due to massive clusters ({approx}7.5 Multiplication-Sign 10{sup 3} M{sub Sun} for G49) embedded in the WMAP sources. Such clusters should produce enough photons with energy {>=}24.6 eV to fully ionize helium in the DIR. Our observations rule out a simple model with G49 ionized by a massive cluster. We also considered 'leaky' H II region models for the ionization of the DIR, suggested by Lockman and Anantharamaiah, but these models also cannot explain our observations. We estimate that the helium ionizing photons need to be attenuated by {approx}>10 times to explain the observations. If selective absorption of He ionizing photons by dust is causing this additional attenuation, then the ratio of dust absorption cross sections for He and H ionizing photons should be {approx}>6.« less

Entropy production in a fluid-solid system far from thermodynamic equilibrium.

PubMed

Chung, Bong Jae; Ortega, Blas; Vaidya, Ashwin

2017-11-24

The terminal orientation of a rigid body in a moving fluid is an example of a dissipative system, out of thermodynamic equilibrium and therefore a perfect testing ground for the validity of the maximum entropy production principle (MaxEP). Thus far, dynamical equations alone have been employed in studying the equilibrium states in fluid-solid interactions, but these are far too complex and become analytically intractable when inertial effects come into play. At that stage, our only recourse is to rely on numerical techniques which can be computationally expensive. In our past work, we have shown that the MaxEP is a reliable tool to help predict orientational equilibrium states of highly symmetric bodies such as cylinders, spheroids and toroidal bodies. The MaxEP correctly helps choose the stable equilibrium in these cases when the system is slightly out of thermodynamic equilibrium. In the current paper, we expand our analysis to examine i) bodies with fewer symmetries than previously reported, for instance, a half-ellipse and ii) when the system is far from thermodynamic equilibrium. Using two-dimensional numerical studies at Reynolds numbers ranging between 0 and 14, we examine the validity of the MaxEP. Our analysis of flow past a half-ellipse shows that overall the MaxEP is a good predictor of the equilibrium states but, in the special case of the half-ellipse with aspect ratio much greater than unity, the MaxEP is replaced by the Min-MaxEP, at higher Reynolds numbers when inertial effects come into play. Experiments in sedimentation tanks and with hinged bodies in a flow tank confirm these calculations.

Ionization of Local Interstellar Gas Based on STIS and FUSE spectra of Nearby Stars

NASA Astrophysics Data System (ADS)

Redfield, Seth; Linsky, J. L.

2009-01-01

The ultraviolet contains many resonance line transitions that are sensitive to a range of ionization stages of ions present in the local interstellar medium (LISM). We couple observations of high resolution ultraviolet spectrographs, STIS and GHRS on the Hubble Space Telescope (HST) and the Far-Ultraviolet Spectroscopic Explorer (FUSE) in order to make a comprehensive survey of the ionization structure of the local interstellar medium. In particular, we focus on the sight line toward G191-B2B, a nearby (69 pc) white dwarf. We present interstellar detections of highly ionized elements (e.g., SiIII, CIII, CIV, etc) and compare them directly to neutral or singly ionized LISM detections (e.g., SiII, CII, etc). The extensive observations of G191-B2B provides an opportunity for a broad study of ionization stages of several elements, while a survey of several sight lines provides a comprehensive look at the ionization structure of the LISM. We acknowledge support for this project through NASA FUSE Grant NNX06AD33G.

Equilibrium and kinetic studies of copper biosorption by dead Ceriporia lacerata biomass isolated from the litter of an invasive plant in China.

PubMed

Li, Xiaona; Li, Airong; Long, Mingzhong; Tian, Xingjun

2015-01-01

Ceriporia lacerata, a strain of white-rot fungus isolated from the litter of an invasive plant (Solidago canadensis) in China, was little known about its properties and utilization. In this work, the copper(II) biosorption characteristics of formaldehyde inactivated C. lacerata biomass were examined as a function of initial pH, initial copper(II) concentration and contact time, and the adsorptive equilibrium and kinetics were simulated, too. The optimum pH was found to be 6.0 at experimental conditions of initial copper(II) concentration 100 mg/L, biomass dose 2 g/L, contact time 12 h, shaking rate 150 r/min and temperature 25°C. Biosorption equilibrium cost about 1 hour at experimental conditions of pH 6.0, initial copper(II) concentration 100 mg/L, C. lacerata dose 2 g/L, shaking rate 150 r/min and temperature 25°C. At optimum pH 6.0, highest copper(II) biosorption amounts were 6.79 and 7.76 mg/g for initial copper(II) concentration of 100 and 200 mg/L, respectively (with other experimental parameters of C. lacerata dose 2 g/L, shaking rate 150 r/min and temperature 25°C). The pseudo second-order adsorptive model gave the best adjustment for copper(II) biosorption kinetics. The equilibrium data fitted very well to both Langmuir and Freundlich adsorptive isotherm models. Without further acid or alkali treatment for improving adsorption properties, formaldehyde inactivated C. lacerata biomass possesses good biosorption characteristics on copper(II) removal from aqueous solutions.

Effects of the Discharge Parameters on the Efficiency and Stability of Ambient Metastable-Induced Desorption Ionization

NASA Astrophysics Data System (ADS)

Zhang, Xiaotian; Chen, Chilai; Liu, Youjiang; Wang, Hongwei; Zhang, Lehua; Kong, Deyi; Mario, Chavarria

2015-12-01

Ionization efficiency is an important factor for ion sources in mass spectrometry and ion mobility spectrometry. Using helium as the discharge gas, acetone as the sample, and high-field asymmetric ion mobility spectrometry (FAIMS) as the ion detection method, this work investigates in detail the effects of discharge parameters on the efficiency of ambient metastable-induced desorption ionization (AMDI) at atmospheric pressure. The results indicate that the discharge power and gas flow rate are both significantly correlated with the ionization efficiency. Specifically, an increase in the applied discharge power leads to a rapid increase in the ionization efficiency, which gradually reaches equilibrium due to ion saturation. Moreover, when the discharge voltage is fixed at 2.1 kV, a maximum efficiency can be achieved at the flow rate of 9.0 m/s. This study provides a foundation for the design and application of AMDI for on-line detection with mass spectrometry and ion mobility spectrometry. supported by National Natural Science Foundation of China (No. 61374016), the Changzhou Science and Technology Support Program, China (No. CE20120081) and the External Cooperation Program of Chinese Academy of Sciences (No. GJHZ1218)

Discovery of a Vast Ionized Gas Cloud in the M51 System

NASA Astrophysics Data System (ADS)

Watkins, Aaron E.; Mihos, J. Christopher; Bershady, Matthew; Harding, Paul

2018-05-01

We present the discovery of a vast cloud of ionized gas (hereafter, the Cloud) 13‧ (32 kpc) north of the interacting system M51. We detected this cloud via deep narrowband imaging with the Burrell Schmidt Telescope, where it appears as an extended, diffuse Hα-emitting feature with no embedded compact regions. The Cloud spans ∼10‧ × 3‧ (25 × 7.5 kpc) in size and has no stellar counterpart; comparisons with our previous deep broadband imaging show no detected continuum light to a limit of μ lim,B ∼ 30 mag arcsec‑2. WIYN SparsePak observations confirm the Cloud’s kinematic association with M51, and the high [N II]/Hα, [S II]/Hα, and [O I]/Hα line ratios that we measure imply a hard ionization source such as active galactic nuclei (AGN) photoionization or shock heating rather than photoionization due to young stars. Given the strong [N II] emission, we infer roughly solar metallicity for the Cloud, ruling out an origin due to infall of primordial gas. Instead, we favor models where the gas has been expelled from the inner regions of the M51 system due to tidal stripping or starburst/AGN winds and has been subsequently ionized either by shocks or a fading AGN. This latter scenario raises the intriguing possibility that M51 may be the nearest example of an AGN fossil nebula or light echo, akin to the famous “Hanny’s Voorwerp” in the IC 2497 system.

DETAILED NUMERICAL SIMULATIONS ON THE FORMATION OF PILLARS AROUND H II REGIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gritschneder, Matthias; Burkert, Andreas; Naab, Thorsten

2010-11-10

We study the structural evolution of turbulent molecular clouds under the influence of ionizing radiation emitted from a nearby massive star by performing a high-resolution parameter study with the iVINE code. The temperature is taken to be 10 K or 100 K, the mean number density is either 100 cm{sup -3} or 300 cm{sup -3}. Furthermore, the turbulence is varied between Mach 1.5 and Mach 12.5, the main driving scale of the turbulence is varied between 1 pc and 8 pc. We vary the ionizing flux by an order of magnitude, corresponding to allowing between 0.5% and 5% of themore » mass in the domain to be ionized immediately. In our simulations, the ionizing radiation enhances the initial turbulent density distribution and thus leads to the formation of pillar-like structures observed adjacent to H II regions in a natural way. Gravitational collapse occurs regularly at the tips of the structures. We find a clear correlation between the initial state of the turbulent cold cloud and the final morphology and physical properties of the structures formed. The most favorable regime for the formation of pillars is Mach 4-10. Structures and therefore stars only form if the initial density contrast between the high-density unionized gas and the gas that is going to be ionized is lower than the temperature contrast between the hot and the cold gas. The density of the resulting pillars is determined by a pressure equilibrium between the hot and the cold gas. A thorough analysis of the simulations shows that the complex kinematical and geometrical structure of the formed elongated filaments reflects that of observed pillars to an impressive level of detail. In addition, we find that the observed line-of-sight velocities allow for a distinct determination of different formation mechanisms. Comparing the current simulations to previous results and recent observations, we conclude that, e.g., the pillars of creation in M16 formed by the mechanism proposed here and not by the radiation

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....

X-ray ionization of the intergalactic medium by quasars

NASA Astrophysics Data System (ADS)

Graziani, Luca; Ciardi, B.; Glatzle, M.

2018-06-01

We investigate the impact of quasars on the ionization of the surrounding intergalactic medium (IGM) with the radiative transfer code CRASH4, now accounting for X-rays and secondary electrons. After comparing with analytic solutions, we post-process a cosmic volume (≈1.5 × 104 Mpc3h-3) containing a ULAS J1120+0641-like quasar (QSO) hosted by a 5 × 1011M⊙h-1 dark matter (DM) halo. We find that: (i) the average HII region (R ˜ 3.2 pMpc in a lifetime tf = 107 yrs) is mainly set by UV flux, in agreement with semi-analytic scaling relations; (ii) a largely neutral (xHII < 0.001), warm (T ˜ 103 K) tail extends up to few Mpc beyond the ionization front, as a result of the X-ray flux; (iii) LyC-opaque inhomogeneities induce a line of sight (LOS) scatter in R as high as few physical Mpc, consistent with the DLA scenario proposed to explain the anomalous size of the ULAS J1120+0641 ionized region. On the other hand, with an ionization rate \\dot{N}_{γ ,0} ˜ 10^{57} s-1, the assumed DLA clustering and gas opacity, only one LOS shows an HII region compatible with the observed one. We deduce that either the ionization rate of the QSO is at least one order of magnitude lower or the ULAS J1120+0641 bright phase is shorter than 107 yrs.

Bipolar H II regions produced by cloud-cloud collisions

NASA Astrophysics Data System (ADS)

Whitworth, Anthony; Lomax, Oliver; Balfour, Scott; Mège, Pierre; Zavagno, Annie; Deharveng, Lise

2018-05-01

We suggest that bipolar H II regions may be the aftermath of collisions between clouds. Such a collision will produce a shock-compressed layer, and a star cluster can then condense out of the dense gas near the center of the layer. If the clouds are sufficiently massive, the star cluster is likely to contain at least one massive star, which emits ionizing radiation, and excites an H II region, which then expands, sweeping up the surrounding neutral gas. Once most of the matter in the clouds has accreted onto the layer, expansion of the H II region meets little resistance in directions perpendicular to the midplane of the layer, and so it expands rapidly to produce two lobes of ionized gas, one on each side of the layer. Conversely, in directions parallel to the midplane of the layer, expansion of the H II region stalls due to the ram pressure of the gas that continues to fall towards the star cluster from the outer parts of the layer; a ring of dense neutral gas builds up around the waist of the bipolar H II region, and may spawn a second generation of star formation. We present a dimensionless model for the flow of ionized gas in a bipolar H II region created according to the above scenario, and predict the characteristics of the resulting free-free continuum and recombination-line emission. This dimensionless model can be scaled to the physical parameters of any particular system. Our intention is that these predictions will be useful in testing the scenario outlined above, and thereby providing indirect support for the role of cloud-cloud collisions in triggering star formation.

IONIZED GAS IN THE FIRST 10 kpc OF THE INTERSTELLAR GALACTIC HALO: METAL ION FRACTIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Howk, J. Christopher; Consiglio, S. Michelle, E-mail: jhowk@nd.edu, E-mail: smconsiglio@ucla.edu

2012-11-10

We present direct measures of the ionization fractions of several sulfur ions in the Galactic warm ionized medium (WIM). We obtained high-resolution ultraviolet absorption-line spectroscopy of post-asymptotic giant branch stars in the globular clusters Messier 3 [(l, b) = (42.{sup 0}2, +78.{sup 0}7), d = 10.2 kpc, and z = 10.0 kpc] and Messier 5 [(l, b) = (3.{sup 0}9, +46.{sup 0}8), d = 7.5 kpc, and z = +5.3 kpc] with the Hubble Space Telescope and Far Ultraviolet Spectroscopic Explorer to measure, or place limits on, the column densities of S I, S II, S III, S IV, Smore » VI, and H I. These clusters also house millisecond pulsars, whose dispersion measures give an electron column density from which we infer the H II column in these directions. We find fractions of S{sup +2} in the WIM for the M 3 and M 5 sight lines x(S{sup +2}) {identical_to} N(S{sup +2})/N(S) = 0.33 {+-} 0.07 and 0.47 {+-} 0.09, respectively, with variations perhaps related to location. With negligible quantities of the higher ionization states, we conclude that S{sup +} and S{sup +2} account for all of the S in the WIM. We extend the methodology to study the ion fractions in the warm and hot ionized gas of the Milky Way, including the high ions Si{sup +3}, C{sup +3}, N{sup +4}, and O{sup +5}. The vast majority of the Galactic ionized gas is warm (T {approx} 10{sup 4} K) and photoionized (the WIM) or very hot (T > 4 Multiplication-Sign 10{sup 5} K) and collisionally ionized. The common tracer of ionized gas beyond the Milky Way, O{sup +5}, traces <1% of the total ionized gas mass of the Milky Way.« less

The Gaia-ESO Survey: dynamics of ionized and neutral gas in the Lagoon nebula (M 8)

NASA Astrophysics Data System (ADS)

Damiani, F.; Bonito, R.; Prisinzano, L.; Zwitter, T.; Bayo, A.; Kalari, V.; Jiménez-Esteban, F. M.; Costado, M. T.; Jofré, P.; Randich, S.; Flaccomio, E.; Lanzafame, A. C.; Lardo, C.; Morbidelli, L.; Zaggia, S.

2017-08-01

Aims: We present a spectroscopic study of the dynamics of the ionized and neutral gas throughout the Lagoon nebula (M 8), using VLT-FLAMES data from the Gaia-ESO Survey. The new data permit exploration of the physical connections between the nebular gas and the stellar population of the associated star cluster NGC 6530. Methods: We characterized through spectral fitting emission lines of Hα, [N II] and [S II] doublets, [O III], and absorption lines of sodium D doublet, using data from the FLAMES-Giraffe and UVES spectrographs, on more than 1000 sightlines toward the entire face of the Lagoon nebula. Gas temperatures are derived from line-width comparisons, densities from the [S II] doublet ratio, and ionization parameter from Hα/[N II] ratio. Although doubly-peaked emission profiles are rarely found, line asymmetries often imply multiple velocity components along the same line of sight. This is especially true for the sodium absorption, and for the [O III] lines. Results: Spatial maps for density and ionization are derived, and compared to other known properties of the nebula and of its massive stars 9 Sgr, Herschel 36 and HD 165052 which are confirmed to provide most of the ionizing flux. The detailed velocity fields across the nebula show several expanding shells, related to the cluster NGC 6530, the O stars 9 Sgr and Herschel 36, and the massive protostar M 8East-IR. The origins of kinematical expansion and ionization of the NGC 6530 shell appear to be different. We are able to put constrains on the line-of-sight (relative or absolute) distances between some of these objects and the molecular cloud. The data show that the large obscuring band running through the middle of the nebula is being compressed by both sides, which might explain its enhanced density. We also find an unexplained large-scale velocity gradient across the entire nebula. At larger distances, the transition from ionized to neutral gas is studied using the sodium lines. Based on observations

Nickel(II) biosorption from aqueous solutions by shrimp head biomass.

PubMed

Hernández-Estévez, Alejandro; Cristiani-Urbina, Eliseo

2014-11-01

The present study evaluates the capacity of shrimp (Farfantepenaeus aztecus) head to remove toxic Ni(II) ions from aqueous solutions. Relevant parameters that could affect the biosorption process, such as shrimp head pretreatment, solution pH level, contact time and initial Ni(II) concentration, were studied in batch systems. An increase in Ni(II) biosorption capacity and a reduction in the time required to reach Ni(II) biosorption equilibrium was manifested by shrimp head biomass pretreated by boiling in 0.5 N NaOH for 15 min; this biomass was thereafter denominated APSH. The optimum biosorption level of Ni(II) ions onto APSH was observed at pH 7.0. Biosorption increased significantly with rising initial Ni(II) concentration. In terms of biosorption dynamics, the pseudo-second-order kinetic model described Ni(II) biosorption onto APSH best. The equilibrium data adequately fitted the Langmuir isotherm model within the studied Ni(II) ion concentration range. According to this isotherm model, the maximum Ni(II) biosorption capacity of APSH was 104.22 mg/g. Results indicate that APSH could be used as a low-cost, environmentally friendly, and promising biosorbent with high biosorption capacity to remove Ni(II) from aqueous solutions.

Biosorption characteristics of copper (II), chromium (III), nickel (II), and lead (II) from aqueous solutions by Chara sp. and Cladophora sp.

PubMed

Elmaci, Ayşe; Yonar, Taner; Ozengin, Nihan

2007-09-01

The aim of this research was to expose individual removals of copper, chromium, nickel, and lead from aqueous solutions via biosorption using nonliving algae species, Chara sp. and Cladophora sp. Optimum pH values for biosorption of copper (II), chromium (III), nickel (II), and lead (II) from aqueous solutions were determined to be 6, 7, 7, and 3 for Cladophora sp. and 5, 3, 5, and 4 for Chara sp. respectively. Maximum adsorption capacities of Chara sp. [10.54 for chromium (III) and 61.72 for lead (II)] and Cladophora sp. [6.59 for chromium (III) and 16.75 and 23.25 for lead (II)] for chromium (III) and lead (II) are similar. On the other hand, copper (II) and nickel (II) biosorption capacity of Cladophora sp. [14.28 for copper (II) and 16.75 for nickel (II)] is greater than Chara sp. [6.506 for copper (II) and 11.76 for nickel (II)]. Significantly high correlation coefficients indicated for the Langmuir adsorption isotherm models can be used to describe the equilibrium behavior of copper, chromium, nickel, and lead adsorption onto Cladophora sp. and Chara sp.

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…

Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.

PubMed

Kerber, William D; Goheen, Joshua T; Perez, Kaitlyn A; Siegler, Maxime A

2016-01-19

Heterobimetallic Mn/Fe cofactors are found in the R2 subunit of class Ic ribonucleotide reductases (R2c) and R2-like ligand binding oxidases (R2lox). Selective cofactor assembly is due at least in part to the thermodynamics of M(II) binding to the apoprotein. We report here equilibrium studies of Fe(II)/Mn(II) discrimination in the biomimetic model system H5(F-HXTA) (5-fluoro-2-hydroxy-1,3-xylene-α,α'-diamine-N,N,N',N'-tetraacetic acid). The homobimetallic F-HXTA complexes [Fe(H2O)6][1]2·14H2O and [Mn(H2O)6][2]2·14H2O (1 = [Fe(II)2(F-HXTA)(H2O)4](-); 2 = [Mn(II)2(F-HXTA)(H2O)4](-)) were characterized by single crystal X-ray diffraction. NMR data show that 1 retains its structure in solution (2 is NMR silent). Metal exchange is facile, and the heterobimetallic complex [Fe(II)Mn(II)(F-HXTA)(H2O)4](-) (3) is formed from mixtures of 1 and 2. (19)F NMR was used to quantify 1 and 3 in the presence of excess M(II)(aq) at various metal ratios, and equilibrium constants for Fe(II)/Mn(II) discrimination were calculated from these data. Fe(II) is preferred over Mn(II) with K1 = 182 ± 13 for complete replacement (2 ⇌ 1). This relatively modest preference is attributed to a hard-soft acid-base mismatch between the divalent cations and the polycarboxylate ligand. The stepwise constants for replacement are K2 = 20.1 ± 1.3 (2 ⇌ 3) and K3 = 9.1 ± 1.1 (3 ⇌ 1). K2 > K3 demonstrates enhanced stability of the heterobimetallic state beyond what is expected for simple Mn(II) → Fe(II) replacement. The relevance to Fe(II)/Mn(II) discrimination in R2c and R2lox proteins is discussed.

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.

Thermodynamically equilibrium roton states of nanoparticles in molten and vapour phases

NASA Astrophysics Data System (ADS)

Karasevskii, A. I.

2015-05-01

We show a possibility for a thermodynamically equilibrium nanocrystalline structure consisting of nanosized solid inclusions to appear in a melt just beyond the melting curve. Thermodynamic stability of the nanocrystalline structure in the melt results from the free energy lowering due to rotational motion of nanoparticles. The main contribution to the reduction of the free energy of the system is due to an increase in the rotational entropy and change in formation energy of nanocrystals, i.e. the nanocrystalline structure in the melt, like vacancies in a crystal, is an equilibrium defect structure of the melt. It is demonstrated that similar nanocrystalline structures can also appear in the vapour phase in the form of liquid nanodrops and in liquid solutions, e.g. in He II.

The ionizing effect of low-energy cosmic rays from a class II object on its protoplanetary disc

NASA Astrophysics Data System (ADS)

Rodgers-Lee, D.; Taylor, A. M.; Ray, T. P.; Downes, T. P.

2017-11-01

We investigate the ionizing effect of low-energy cosmic rays (CRs) from a young star on its protoplanetary disc (PPD). We consider specifically the effect of ∼3 GeV protons injected at the inner edge of the PPD. An increase in the ionization fraction as a result of these CRs could allow the magnetorotational instability to operate in otherwise magnetically dead regions of the disc. For the typical values assumed we find an ionization rate of ζCR ∼ 10-17 s-1 at 1 au. The transport equation is solved by treating the propagation of the CRs as diffusive. We find for increasing diffusion coefficients the CRs penetrate further in the PPD, while varying the mass density profile of the disc is found to have little effect. We investigate the effect of an energy spectrum of CRs. The influence of a disc wind is examined by including an advective term. For advective wind speeds between 1 and 100 km s-1 diffusion dominates at all radii considered here (out to 10 au) for reasonable diffusion coefficients. Overall, we find that low-energy CRs can significantly ionize the mid-plane of PPDs out to ∼1 au. By increasing the luminosity or energy of the CRs, within plausible limits, their radial influence could increase to ∼2 au at the mid-plane but it remains challenging to significantly ionize the mid-plane further out.

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)

Battery-Powered RF Pre-Ionization System for the Caltech Magnetohydrodynamically-Driven Jet Experiment: RF Discharge Properties and MHD-Driven Jet Dynamics

NASA Astrophysics Data System (ADS)

Chaplin, Vernon H.

This thesis describes investigations of two classes of laboratory plasmas with rather different properties: partially ionized low pressure radiofrequency (RF) discharges, and fully ionized high density magnetohydrodynamically (MHD)-driven jets. An RF pre-ionization system was developed to enable neutral gas breakdown at lower pressures and create hotter, faster jets in the Caltech MHD-Driven Jet Experiment. The RF plasma source used a custom pulsed 3 kW 13.56 MHz RF power amplifier that was powered by AA batteries, allowing it to safely float at 4-6 kV with the cathode of the jet experiment. The argon RF discharge equilibrium and transport properties were analyzed, and novel jet dynamics were observed. Although the RF plasma source was conceived as a wave-heated helicon source, scaling measurements and numerical modeling showed that inductive coupling was the dominant energy input mechanism. A one-dimensional time-dependent fluid model was developed to quantitatively explain the expansion of the pre-ionized plasma into the jet experiment chamber. The plasma transitioned from an ionizing phase with depressed neutral emission to a recombining phase with enhanced emission during the course of the experiment, causing fast camera images to be a poor indicator of the density distribution. Under certain conditions, the total visible and infrared brightness and the downstream ion density both increased after the RF power was turned off. The time-dependent emission patterns were used for an indirect measurement of the neutral gas pressure. The low-mass jets formed with the aid of the pre-ionization system were extremely narrow and collimated near the electrodes, with peak density exceeding that of jets created without pre-ionization. The initial neutral gas distribution prior to plasma breakdown was found to be critical in determining the ultimate jet structure. The visible radius of the dense central jet column was several times narrower than the axial current channel

INDIRECT EVIDENCE FOR ESCAPING IONIZING PHOTONS IN LOCAL LYMAN BREAK GALAXY ANALOGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alexandroff, Rachael M.; Heckman, Timothy M.; Borthakur, Sanchayeeta

2015-09-10

A population of early star-forming galaxies is the leading candidate for the re-ionization of the universe. It is still unclear, however, what conditions and physical processes would enable a significant fraction of the ionizing (Lyman continuum) photons to escape from these gas-rich galaxies. In this paper we present the results of the analysis of Hubble Space Telescope Cosmic Origins Spectrograph far-UV (FUV) spectroscopy plus ancillary multi-waveband data of a sample of 22 low-redshift galaxies that are good analogs to typical star-forming galaxies at high redshift. We measure three parameters that provide indirect evidence of the escape of ionizing radiation (leakiness):more » (1) the residual intensity in the cores of saturated interstellar low-ionization absorption lines, which indicates incomplete covering by that gas in the galaxy; (2) the relative amount of blueshifted Lyα line emission, which can indicate the existence of holes in the neutral hydrogen on the front-side of the galaxy outflow, and (3) the relative weakness of the [S ii] optical emission lines that trace matter-bounded H ii regions. We show that our residual intensity measures are only negligibly affected by infilling from resonance emission lines. We find all three diagnostics agree well with one another. We use these diagnostics to rank-order our sample in terms of likely leakiness, noting that a direct measure of escaping Lyman continuum has recently been made for one of the leakiest members of our sample. We then examine the correlations between our ranking and other proposed diagnostics of leakiness. We find a good correlation with the equivalent width of the Lyα emission line, but no significant correlations with either the flux ratio of the [O iii]/[O ii] emission lines or the ratio of star-formation rates derived from the (dust-corrected) FUV and Hα luminosities. Turning to galaxy properties, we find the strongest correlations with leakiness are with the compactness of the star

Characterizations of strontium(II) and barium(II) adsorption from aqueous solutions using dolomite powder.

PubMed

Ghaemi, Ahad; Torab-Mostaedi, Meisam; Ghannadi-Maragheh, Mohammad

2011-06-15

In this research, adsorption technique was applied for strontium and barium removal from aqueous solution using dolomite powder. The process has been investigated as a function of pH, contact time, temperature and adsorbate concentration. The experimental data was analyzed using equilibrium isotherm, kinetic and thermodynamic models. The isotherm data was well described by Langmuir isotherm model. The maximum adsorption capacity was found to be 1.172 and 3.958 mg/g for Sr(II) and Ba(II) from the Langmuir isotherm model at 293 K, respectively. The kinetic data was tested using first and pseudo-second order models. The results indicated that adsorption fitted well with the pseudo-second order kinetic model. The thermodynamic parameters (ΔG°, ΔH°, and ΔS°) were also determined using the equilibrium constant value obtained at different temperatures. The results showed that the adsorption for both ions was feasible and exothermic. Copyright © 2011 Elsevier B.V. All rights reserved.

The Kinematics of the Permitted C II λ6578 Line in a Large Sample of Planetary Nebulae

NASA Astrophysics Data System (ADS)

Richer, Michael G.; Suárez, Genaro; López, José Alberto; García Díaz, María Teresa

2017-03-01

We present spectroscopic observations of the C II λ6578 permitted line for 83 lines of sight in 76 planetary nebulae at high spectral resolution, most of them obtained with the Manchester Echelle Spectrograph on the 2.1 m telescope at the Observatorio Astronómico Nacional on the Sierra San Pedro Mártir. We study the kinematics of the C II λ6578 permitted line with respect to other permitted and collisionally excited lines. Statistically, we find that the kinematics of the C II λ6578 line are not those expected if this line arises from the recombination of C2+ ions or the fluorescence of C+ ions in ionization equilibrium in a chemically homogeneous nebular plasma, but instead its kinematics are those appropriate for a volume more internal than expected. The planetary nebulae in this sample have well-defined morphology and are restricted to a limited range in Hα line widths (no large values) compared to their counterparts in the Milky Way bulge; both these features could be interpreted as the result of young nebular shells, an inference that is also supported by nebular modeling. Concerning the long-standing discrepancy between chemical abundances inferred from permitted and collisionally excited emission lines in photoionized nebulae, our results imply that multiple plasma components occur commonly in planetary nebulae.

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.

Analysis of the diffuse ionized gas database: DIGEDA

NASA Astrophysics Data System (ADS)

Flores-Fajardo, N.; Morisset, C.; Binette, L.

2009-10-01

Studies of the Diffuse Ionized Gas (DIG) have progressed without providing so far any strict criterion to distinguish DIGs from H II regions. In this work, we compile the emission line measurements of 29 galaxies that are available in the scientific literature, thereby setting up the first DIG database (DIGEDA). Making use of this database, we proceed to analyze the global properties of the DIG using the [NII]λ6583/Hα, [O I]λ6300/Hα, [O III]λ5007/Hβ and [SII]λ6716/Hα lines ratios, including the H α emission measure. This analysis leads us to conclude that the [N II]/Hα ratio provides an objective criterion for distinguishing whether an emission region is a DIG or an H II region, while the EM(Hα) is a useful quantity only when the galaxies are considered individually. Finally, we find that the emission regions of Irr galaxies classified as DIG in the literature appear in fact to be much more similar to H II regions than to the DIGs of spiral galaxies.

Removal of Pb(II) and Cd(II) from water by adsorption on peels of banana.

PubMed

Anwar, Jamil; Shafique, Umer; Waheed-uz-Zaman; Salman, Muhammad; Dar, Amara; Anwar, Shafique

2010-03-01

The adsorption of lead(II) and cadmium(II) on peels of banana has been studied in batch mode using flame atomic absorption spectroscopy for metal estimation. Concerned parameters like adsorbent dose, pH, contact time and agitation speed were investigated. Langmuir, Freundlich and Temkin isotherms were employed to describe adsorption equilibrium. The maximum amounts of cadmium(II) and lead(II) adsorbed (qm), as evaluated by Langmuir isotherm, were 5.71 mg and 2.18 mg per gram of powder of banana peels, respectively. Study concluded that banana peels, a waste material, have good potential as an adsorbent to remove toxic metals like lead and cadmium from water. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Extraplanar H II Regions in Spiral Galaxies. II. In Situ Star Formation in the Interstellar Thick Disk of NGC 4013

NASA Astrophysics Data System (ADS)

Howk, J. Christopher; Rueff, Katherine M.; Lehner, Nicolas; Wotta, Christopher B.; Croxall, Kevin; Savage, Blair D.

2018-04-01

We present observations of an Hα-emitting knot in the thick disk of NGC 4013, demonstrating it is an H II region surrounding a cluster of young hot stars z = 860 pc above the plane of this edge-on spiral galaxy. With LBT/MODS spectroscopy we show that this H II region has an Hα luminosity ∼4–7 times that of the Orion nebula, with an implied ionizing photon production rate log Q 0 ≈ 49.4 (photons s‑1). HST/WFPC2 imaging reveals an associated blue continuum source with M V = ‑8.21 ± 0.24. Together, these properties demonstrate that the H II region is powered by a young cluster of stars formed in situ in the thick disk, with an ionizing photon flux equivalent to ∼6 O7 V stars. If we assume ≈6 other extraplanar Hα-emitting knots are H II regions, the total thick disk star formation rate of NGC 4013 is ∼5 × 10‑4 M ⊙ yr‑1. The star formation likely occurs in the dense clouds of the interstellar thick disk seen in optical images of dust extinction and CO emission.

Cadmium(II) and lead(II) adsorption onto hetero-atom functional mesoporous silica and activated carbon

NASA Astrophysics Data System (ADS)

Machida, Motoi; Fotoohi, Babak; Amamo, Yoshimasa; Mercier, Louis

2012-07-01

Adsorption of cadmium(II) and lead(II) on amino-, mercapto-functionalized mesoporous silica (HMS) and carboxylic-functionalized activated carbon (AC) were examined. The resultant isotherms fitted the Langmuir model and amino-functionalized HMS exhibited the highest adsorption capacity for both cadmium(II) and lead(II). Adsorption affinities for cadmium(II) were always greater than those for lead(II) in all three adsorbent types, while the difference between the two values was the largest for mercapto-functionalized HMS indicating a selective adsorption of cadmium(II). Influence of equilibrium solution pH on adsorption of cadmium(II), lead(II) and their binary mixtures was also studied. Carboxylic-functionalized AC adsorbed cadmium(II) and lead(II) in a wide pH range than conditions for the mercapto-functionalized HMS. It was concluded that each functional group had its own characteristics and advantages for adsorption of heavy metal ions; amino-groups showed high adsorption capacity, while mercapto-groups had good selectivity toward cadmium(II) adsorption and a wide solution pH in adsorption by carboxylic-groups were established in this study.

The concerted impact of galaxies and QSOs on the ionization and thermal state of the intergalactic medium

NASA Astrophysics Data System (ADS)

Kakiichi, Koki; Graziani, Luca; Ciardi, Benedetta; Meiksin, Avery; Compostella, Michele; Eide, Marius B.; Zaroubi, Saleem

2017-07-01

We present a detailed analysis of the ionization and thermal structure of the intergalactic medium (IGM) around a high-redshift (z = 10) QSO, using a large suite of cosmological, multifrequency radiative transfer simulations, exploring the contribution from galaxies as well as the QSO, and the effect of X-rays and secondary ionization. We show that in high-z QSO environments both the central QSO and the surrounding galaxies concertedly control the reionization morphology of hydrogen and helium and have a non-linear impact on the thermal structure of the IGM. A QSO imprints a distinctive morphology on H II regions if its total ionizing photon budget exceeds that of the surrounding galaxies since the onset of hydrogen reionization; otherwise, the morphology shows little difference from that of H II regions produced only by galaxies. In addition, the spectral shape of the collective radiation field from galaxies and QSOs controls the thickness of the I-fronts. While a UV-obscured QSO can broaden the I-front, the contribution from other UV sources, either galaxies or unobscured QSOs, is sufficient to maintain a sharp I-front. X-ray photons from the QSO are responsible for a prominent extended tail of partial ionization ahead of the I-front. QSOs leave a unique imprint on the morphology of He II/He III regions. We suggest that, while the physical state of the IGM is modified by QSOs, the most direct test to understand the role of galaxies and QSOs during reionization is to perform galaxy surveys in a region of sky imaged by 21 cm tomography.

Stability limit of liquid water in metastable equilibrium with subsaturated vapors.

PubMed

Wheeler, Tobias D; Stroock, Abraham D

2009-07-07

A pure liquid can reach metastable equilibrium with its subsaturated vapor across an appropriate membrane. This situation is analogous to osmotic equilibrium: the reduced chemical potential of the dilute phase (the subsaturated vapor) is compensated by a difference in pressure between the phases. To equilibrate with subsaturated vapor, the liquid phase assumes a pressure that is lower than its standard vapor pressure, such that the liquid phase is metastable with respect to the vapor phase. For sufficiently subsaturated vapors, the liquid phase can even assume negative pressures. The appropriate membrane for this metastable equilibrium must provide the necessary mechanical support to sustain the difference in pressure between the two phases, limit nonhomogeneous mechanisms of cavitation, and resist the entry of the dilutant (gases) into the pure phase (liquid). In this article, we present a study of the limit of stability of liquid water--the degree of subsaturation at which the liquid cavitates--in this metastable state within microscale voids embedded in hydrogel membranes. We refer to these structures as vapor-coupled voids (VCVs). In these VCVs, we observed that liquid water cavitated when placed in equilibrium with vapors of activity aw,vapairii) nucleation caused by the presence of dissolved solute, (iii) nucleation caused by the presence of pre-existing vapor nuclei, and (iv

Discovery of Ionized Gas Associated with the Tilted Inner Disk of the Milky Way

NASA Astrophysics Data System (ADS)

Haffner, L. Matthew; Benjamin, Robert A.; Krishnarao, Dhanesh

2018-01-01

The complex distribution and motion of gas within the central few kiloparsecs of our Galaxy does not follow the more regular patterns seen throughout the rest of its gaseous disk. Sensitive observations of the neutral and molecular gas over the past 40 years reveal emission intensities and velocities that are far from symmetric about the Galactic equator and the line at zero longitude. Burton and Liszt (1978-1992) show that much of the anomalous behavior is well explained by an elliptical disk, tilted with respect to the Galactic plane and our line of sight.Using the Wisconsin Hα Mapper (WHAM), we report the discovery of ionized gas near the Galactic center (l = 0° - 14° b = -8° to +4°) with a distribution and velocities also explained by this creative model. Emission from distant regions near the Galactic plane is typically blocked by a thick band of interstellar dust. However, a portion of the tilted disk is behind Baade's Window, a hole in the thick dust near the Galactic center. Combined with the unparalleled sensitivity of the WHAM Sky Survey (IHα ~ 0.1 R; EM ~ 0.2 pc cm-6), we are able to trace the distribution and kinematics of the ionized phase of this structure for the first time. The relationship between this multi-phase inner disk, outflow from the Galactic center, and the Fermi bubbles is not yet clear.In several directions around the disk, WHAM captures emission from Hα, Hβ, and several ions (N, S, and O) to explore the state and source of the ionized gas. [N II]/Hα, [S II]/Hα, and [S II]/[N II] line ratios are much different than classical H II regions and diffuse gas near the plane but are similar to those seen at high-|z| (> 1.5 kpc) in the Perseus arm. We will also compare this emission to multi-phase absorption components revealed in a recent UV absorption-line study through the low halo (z ~ -1 kpc) in this direction (Savage et al. 2017) and to emission seen near nuclear regions of other spiral galaxies, where high low-ionization

Immunomodulation of classical and non-classical HLA molecules by ionizing radiation.

PubMed

Gallegos, Cristina E; Michelin, Severino; Dubner, Diana; Carosella, Edgardo D

2016-05-01

Radiotherapy has been employed for the treatment of oncological patients for nearly a century, and together with surgery and chemotherapy, radiation oncology constitutes one of the three pillars of cancer therapy. Ionizing radiation has complex effects on neoplastic cells and on tumor microenvironment: beyond its action as a direct cytotoxic agent, tumor irradiation triggers a series of alterations in tumoral cells, which includes the de novo synthesis of particular proteins and the up/down-regulation of cell surface molecules. Additionally, ionizing radiation may induce the release of "danger signals" which may, in turn lead to cellular and molecular responses by the immune system. This immunomodulatory action of ionizing radiation highlights the importance of the combined use (radiotherapy plus immunotherapy) for cancer healing. Major histocompatibility complex antigens (also called Human Leukocyte Antigens, HLA in humans) are one of those molecules whose expression is modulated after irradiation. This review summarizes the modulatory properties of ionizing radiation on the expression of HLA class I (classical and non-classical) and class II molecules, with special emphasis in non-classical HLA-I molecules. Copyright © 2016 Elsevier Inc. All rights reserved.

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.

Cd(II) removal on surface-modified activated carbon: equilibrium, kinetics and mechanism.

PubMed

Liang, Jianjun; Liu, Meiling; Zhang, Yufei

2016-10-01

Commercial pulverous activated carbon (AC-0) was modified through two steps: oxidize AC-0 acid firstly, impregnate it with iron using ferric chloride secondly. Orthogonal experiment was conducted then to prepare modified activated carbon with high Cd(II) adsorption capacity (ACNF). Batch adsorption experiments were undertaken to determine the adsorption characteristics of Cd(II) from aqueous solution onto AC-0 and ACNF and the effect of pH, contact time and initial Cd(II) concentration. The results indicate that: the adsorption behavior of Cd(II) on ACNF can be well fitted with Langmuir model, and the maximum adsorption capacity of ACNF was 2.3 times higher than that of AC-0, supporting a monolayer coverage of Cd(II) on the surface. The kinetics of the adsorption process can be described by pseudo-second-order rate equation very well, and the adsorption capacity increased from 0.810 mg/g to 0.960 mg/g after modification. Compared with AC-0, the kinetic parameters of ACNF showed a higher adsorption rate through the aqueous solution to the solid surface and a lower intraparticle diffusion rate. Surface modification resulted in a lower Brunauer-Emmett-Teller (BET) surface area and pore size because of the collapse and blockage of pores, according to the X-ray diffraction (XRD) analysis, while the total number of surface oxygen acid groups increased, and this was supposed to contribute to the enhanced adsorption capacity of modified activated carbon.

Equilibrium properties of superconducting niobium at high magnetic fields: A possible existence of a filamentary state in type-II superconductors [Possible existence of a filamentary state in type-II superconductors

DOE PAGES

Kozhevnikov, V.; Valente-Feliciano, A. -M.; Curran, P. J.; ...

2017-05-17

The standard interpretation of the phase diagram of type-II superconductors was developed in the 1960s and has since been considered a well-established part of classical superconductivity. However, upon closer examination a number of fundamental issues arises that leads one to question this standard picture. To address these issues we studied equilibrium properties of niobium samples near and above the upper critical field H c2 in parallel and perpendicular magnetic fields. The samples investigated were very high quality films and single-crystal disks with the Ginzburg-Landau parameters 0.8 and 1.3, respectively. A range of complementary measurements has been performed, which include dcmore » magnetometry, electrical transport, muon spin rotation spectroscopy, and scanning Hall-probe microscopy. Contrary to the standard scenario, we observed that a superconducting phase is present in the sample bulk above H c2 and the field H c3 is the same in both parallel and perpendicular fields. Our findings suggest that above H c2 the superconducting phase forms filaments parallel to the field regardless of the field orientation. Near H c2 the filaments preserve the hexagonal structure of the preceding vortex lattice of the mixed state, and the filament density continuously falls to zero at H c3. Finally, our paper has important implications for the correct interpretation of the properties of type-II superconductors and can be essential for practical applications of these materials.« less

Electron-impact Multiple-ionization Cross Sections for Atoms and Ions of Helium through Zinc

NASA Astrophysics Data System (ADS)

Hahn, M.; Müller, A.; Savin, D. W.

2017-12-01

We compiled a set of electron-impact multiple-ionization (EIMI) cross section for astrophysically relevant ions. EIMIs can have a significant effect on the ionization balance of non-equilibrium plasmas. For example, it can be important if there is a rapid change in the electron temperature or if there is a non-thermal electron energy distribution, such as a kappa distribution. Cross section for EIMI are needed in order to account for these processes in plasma modeling and for spectroscopic interpretation. Here, we describe our comparison of proposed semiempirical formulae to available experimental EIMI cross-section data. Based on this comparison, we interpolated and extrapolated fitting parameters to systems that have not yet been measured. A tabulation of the fit parameters is provided for 3466 EIMI cross sections and the associated Maxwellian plasma rate coefficients. We also highlight some outstanding issues that remain to be resolved.

Characterization of local thermodynamic equilibrium in a laser-induced aluminum alloy plasma.

PubMed

Zhang, Yong; Zhao, Zhenyang; Xu, Tao; Niu, GuangHui; Liu, Ying; Duan, Yixiang

2016-04-01

The electron temperature was evaluated using the line-to-continuum ratio method, and whether the plasma was close to the local thermodynamic equilibrium (LTE) state was investigated in detail. The results showed that approximately 5 μs after the plasma formed, the changes in the electron and excitation temperatures, which were determined using a Boltzmann plot, overlapped in the 15% error range, which indicated that the LTE state was reached. The recombination of electrons and ions and the free electron expansion process led to the deviation from the LTE state. The plasma's expansion rate slowed over time, and when the expansion time was close to the ionization equilibrium time, the LTE state was almost reached. The McWhirter criterion was adopted to calculate the threshold electron density for different species, and the results showed that experimental electron density was greater than the threshold electron density, which meant that the LTE state may have existed. However, for the nonmetal element N, the threshold electron density was greater than the value experimental value approximately 0.8 μs after the plasma formed, which meant that LTE state did not exist for N.

Quantifying Na(I)-insulin and K(I)-insulin non-covalent complexes by ESI-MS method and calculation of their equilibrium constants.

PubMed

Gülfen, Mustafa; Özdemir, Abdil; Lin, Jung-Lee; Chen, Chung-Hsuan

2017-10-01

In this study, the dissociation and formation equilibrium constants of Na(I)-insulin and K(I)-insulin complexes have been calculated after the quantifying them on ESI mass spectrometer. The ESI-MS spectra of the complexes were measured by using the solvents as 50% MeOH in water and 100% water. The effect of pH on the Na(I)-insulin and K(I)-insulin complex formation were examined. Serial binding of Na(I) and K(I) ions to the insulin molecule were observed in the ESI-MS measurements. The first formation equilibrium constants were calculated as K f1 : 5.48×10 3 1/M for Na(I)-insulin complex and K f1 : 4.87×10 3 1/M for K(I)-insulin in water. The binding capability of Na(I) ions to insulin molecule is higher than the capability of K(I) ions. In case of a comparison together with Ca(II)-insulin and Mg(II)-insulin, the formation equilibrium constants (K f1 ) are in order of Ca(II)-insulin>Mg(II)-insulin>Na(I)-insulin>K(I)-insulin in water. The results showed that Na(I) and K(I) ions are involved in the formation of the non-covalent complexes with insulin molecule, since high extracellular and intracellular concentrations of them in the body. Copyright © 2017 Elsevier B.V. All rights reserved.

Equilibrium and out-of-equilibrium mechanics of living mammalian cytoplasm

NASA Astrophysics Data System (ADS)

Gupta, Satish Kumar; Guo, Ming

2017-10-01

Living cells are intrinsically non-equilibrium systems. They are driven out of equilibrium by the activity of the molecular motors and other enzymatic processes. This activity along with the ever present thermal agitation results in intracellular fluctuations inside the cytoplasm. In analogy to Brownian motion, the material property of the cytoplasm also influences the characteristics of these fluctuations. In this paper, through a combination of experimentation and theoretical analysis, we show that intracellular fluctuations are indeed due to non-thermal forces at relatively long time-scales, however, are dominated solely by thermal forces at relatively short time-scales. Thus, the cytoplasm of living mammalian cells behaves as an equilibrium material at short time-scales. The mean square displacement of these intracellular fluctuations scales inversely with the cytoplasmic shear modulus in this short time-scale equilibrium regime, and is inversely proportional to the square of the cytoplasmic shear modulus in the long time-scale out-of-equilibrium regime. Furthermore, we deploy passive microrheology based on these fluctuations to extract the mechanical property of the cytoplasm at the high-frequency regime. We show that the cytoplasm of living mammalian cells is a weak elastic gel in this regime; this is in an excellent agreement with an independent micromechanical measurement using optical tweezers.

Low-sample flow secondary electrospray ionization: improving vapor ionization efficiency.

PubMed

Vidal-de-Miguel, G; Macía, M; Pinacho, P; Blanco, J

2012-10-16

In secondary electrospray ionization (SESI) systems, gaseous analytes exposed to an elecrospray plume become ionized after charge is transferred from the charging electrosprayed particles to the sample species. Current SESI systems have shown a certain potential. However, their ionization efficiency is limited by space charge repulsion and by the high sample flows required to prevent vapor dilution. As a result, they have a poor conversion ratio of vapor into ions. We have developed and tested a new SESI configuration, termed low-flow SESI, that permits the reduction of the required sample flows. Although the ion to vapor concentration ratio is limited, the ionic flow to sample vapor flow ratio theoretically is not. The new ionizer is coupled to a planar differential mobility analyzer (DMA) and requires only 0.2 lpm of vapor sample flow to produce 3.5 lpm of ionic flow. The achieved ionization efficiency is 1/700 (one ion for every 700 molecules) for TNT and, thus, compared with previous SESI ionizers coupled with atmospheric pressure ionization-mass spectrometry (API-MS) (Mesonero, E.; Sillero, J. A.; Hernández, M.; Fernandez de la Mora, J. Philadelphia PA, 2009) has been improved by a large factor of at least 50-100 (our measurements indicate 70). The new ionizer coupled with the planar DMA and a triple quadrupole mass spectrometer (ABSciex API5000) requires only 20 fg (50 million molecules) to produce a discernible signal after mobility and MS(2) analysis.

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.

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.

Non-equilibrium modeling of UV laser induced plasma on a copper target in the presence of Cu{sup 2+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ait Oumeziane, Amina, E-mail: a.aitoumeziane@gmail.com; Liani, Bachir; Parisse, Jean-Denis

2016-03-15

This work is a contribution to the understanding of UV laser ablation of a copper sample in the presence of Cu{sup 2+} species as well as electronic non-equilibrium in the laser induced plasma. This particular study extends a previous paper and develops a 1D hydrodynamic model to describe the behavior of the laser induced plume, including the thermal non-equilibrium between electrons and heavy particles. Incorporating the formation of doubly charged ions (Cu{sup 2+}) in such an approach has not been considered previously. We evaluate the effect of the presence of doubly ionized species on the characteristics of the plume, i.e.,more » temperature, pressure, and expansion velocity, and on the material itself by evaluating the ablation depth and plasma shielding effects. This study evaluates the effects of the doubly charged species using a non-equilibrium hydrodynamic approach which comprises a contribution to the understanding of the governing processes of the interaction of ultraviolet nanosecond laser pulses with metals and the parameter optimization depending on the intended application.« less

Enhancement of ionization efficiency of mass spectrometric analysis from non-electrospray ionization friendly solvents with conventional and novel ionization techniques.

PubMed

Jiang, Ping; Lucy, Charles A

2015-10-15

Electrospray ionization mass spectrometry (ESI-MS) has significantly impacted the analysis of complex biological and petroleum samples. However ESI-MS has limited ionization efficiency for samples in low dielectric and low polarity solvents. Addition of a make-up solvent through a T union or electrospray solvent through continuous flow extractive desorption electrospray ionization (CF-EDESI) enable ionization of analytes in non-ESI friendly solvents. A conventional make-up solvent addition setup was used and a CF-EDESI source was built for ionization of nitrogen-containing standards in hexane or hexane/isopropanol. Factors affecting the performance of both sources have been investigated and optimized. Both the make-up solvent addition and CF-EDESI improve the ionization efficiency for heteroatom compounds in non-ESI friendly solvents. Make-up solvent addition provides higher ionization efficiency than CF-EDESI. Neither the make-up solvent addition nor the CF-EDESI eliminates ionization suppression of nitrogen-containing compounds caused by compounds of the same chemical class. Copyright © 2015 Elsevier B.V. All rights reserved.

Non-equilibrium supramolecular polymerization.

PubMed

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

2017-09-18

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

Equilibrium partitioning of organic compounds to OASIS HLB® as a function of compound concentration, pH, temperature and salinity.

PubMed

Jeong, Yoonah; Schäffer, Andreas; Smith, Kilian

2017-05-01

Oasis hydrophilic lipophilic balance ® (Oasis HLB) is commonly employed in solid phase extraction (SPE) of environmental contaminants and within polar organic chemical integrative passive samplers (POCIS). In this study batch experiments were carried out to evaluate the relative affinity of a range of relevant organic pollutants to Oasis HLB in aqueous systems. The influence of sorbate concentration, temperature, pH, and salinity on the equilibrium sorption was investigated. Equilibrium partition ratios (K D ) of 28 compounds were determined, ranging over three orders of magnitude from 1.16 × 10 3  L/kg (atenolol) to 1.07 × 10 6  L/kg (isoproturon). The Freundlich model was able to describe the equilibrium partitioning to Oasis HLB, and an analysis of the thermodynamic parameters revealed the spontaneous and exothermic nature of the partitioning process. Ionic strength had only a minor effect on the partitioning, whereas pH had a considerable effect but only for ionizable compounds. The results show that apolar interactions between the Oasis HLB and analyte mainly determine the equilibrium partitioning. These research findings can be used to optimize the application of SPE and POCIS for analyses of environmental contaminants even in complex mixtures. Copyright © 2017 Elsevier Ltd. All rights reserved.

Nuclear-Recoil Energy Scale in CDMS II Silicon Dark-Matter Detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agnese, R.; et al.

The Cryogenic Dark Matter Search (CDMS II) experiment aims to detect dark matter particles that elastically scatter from nuclei in semiconductor detectors. The resulting nuclear-recoil energy depositions are detected by ionization and phonon sensors. Neutrons produce a similar spectrum of low-energy nuclear recoils in such detectors, while most other backgrounds produce electron recoils. The absolute energy scale for nuclear recoils is necessary to interpret results correctly. The energy scale can be determined in CDMS II silicon detectors using neutrons incident from a broad-spectrummore » $$^{252}$$Cf source, taking advantage of a prominent resonance in the neutron elastic scattering cross section of silicon at a recoil (neutron) energy near 20 (182) keV. Results indicate that the phonon collection efficiency for nuclear recoils is $$4.8^{+0.7}_{-0.9}$$% lower than for electron recoils of the same energy. Comparisons of the ionization signals for nuclear recoils to those measured previously by other groups at higher electric fields indicate that the ionization collection efficiency for CDMS II silicon detectors operated at $$\\sim$$4 V/cm is consistent with 100% for nuclear recoils below 20 keV and gradually decreases for larger energies to $$\\sim$$75% at 100 keV. The impact of these measurements on previously published CDMS II silicon results is small.« less

Theory of the Protein Equilibrium Population Snapshot by H/D Exchange Electrospray Ionization Mass Spectrometry (PEPS-HDX-ESI-MS) Method used to obtain Protein Folding Energies/Rates and Selected Supporting Experimental Evidence.

PubMed

Liyanage, Rohana; Devarapalli, Nagarjuna; Pyland, Derek B; Puckett, Latisha M; Phan, N H; Starch, Joel A; Okimoto, Mark R; Gidden, Jennifer; Stites, Wesley E; Lay, Jackson O

2012-12-15

Protein equilibrium snapshot by hydrogen/deuterium exchange electrospray ionization mass spectrometry (PEPS-HDX-ESI-MS or PEPS) is a method recently introduced for estimating protein folding energies and rates. Herein we describe the basis for this method using both theory and new experiments. Benchmark experiments were conducted using ubiquitin because of the availability of reference data for folding and unfolding rates from NMR studies. A second set of experiments was also conducted to illustrate the surprising resilience of the PEPS to changes in HDX time, using staphylococcal nuclease and time frames ranging from a few seconds to several minutes. Theory suggests that PEPS experiments should be conducted at relatively high denaturant concentrations, where the protein folding/unfolding rates are slow with respect to HDX and the life times of both the closed and open states are long enough to be sampled experimentally. Upon deliberate denaturation, changes in folding/unfolding are correlated with associated changes in the ESI-MS signal upon fast HDX. When experiments are done quickly, typically within a few seconds, ESI-MS signals, corresponding to the equilibrium population of the native (closed) and denatured (open) states can both be detected. The interior of folded proteins remains largely un-exchanged. Amongst MS methods, the simultaneous detection of both states in the spectrum is unique to PEPS and provides a "snapshot" of these populations. The associated ion intensities are used to estimate the protein folding equilibrium constant (or the free energy change, ΔG). Linear extrapolation method (LEM) plots of derived ΔG values for each denaturant concentration can then be used to calculate ΔG in the absence of denaturant, ΔG(H(2)O). In accordance with the requirement for detection of signals for both the folded and unfolded states, this theoretical framework predicts that PEPS experiments work best at the middle of the denaturation curve where natured

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez-Gómez, David; Soler, Roberto; Terradas, Jaume, E-mail: david.martinez@uib.es

2017-03-01

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

Adsorption of anionic and cationic dyes on activated carbon from aqueous solutions: equilibrium and kinetics.

PubMed

Rodríguez, Araceli; García, Juan; Ovejero, Gabriel; Mestanza, María

2009-12-30

Activated carbon was utilized as adsorbent to remove anionic dye, Orange II (OII), and cationic dye, Methylene blue (MB), from aqueous solutions by adsorption. Batch experiments were conducted to study the effects of temperature (30-65 degrees C), initial concentration of adsorbate (300-500 mg L(-1)) and pH (3.0-9.0) on dyes adsorption. Equilibrium adsorption isotherms and kinetics were investigated. The equilibrium experimental data were analyzed by the Langmuir, Freundlich, Toth and Redlich-Peterson models. The kinetic data obtained with different carbon mass were analyzed using a pseudo-first order, pseudo-second order, intraparticle diffusion, Bangham and Chien-Clayton equations. The best results were achieved with the Langmuir isotherm equilibrium model and with the pseudo-second order kinetic model. The activated carbon was found to be very effective as adsorbent for MB and OII from aqueous solutions.

Non-equilibrium supramolecular polymerization

PubMed Central

Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J.

2017-01-01

Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term “non-equilibrium self-assembly” by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization. PMID:28349143

Detectability of [C II] 158 μm Emission from High-Redshift Galaxies: Predictions for ALMA and SPICA

NASA Astrophysics Data System (ADS)

Nagamine, Kentaro; Wolfe, Arthur M.; Hernquist, Lars

2006-08-01

We discuss the detectability of high-redshift galaxies via [C II] 158 μm line emission by coupling an analytic model with cosmological smoothed particle hydrodynamics (SPH) simulations that are based on the concordance Λ cold dark matter (CDM) model. Our analytic model describes a multiphase interstellar medium (ISM) irradiated by the far-ultraviolet (FUV) radiation from local star-forming regions, and it calculates thermal and ionization equilibrium between cooling and heating. The model allows us to predict the mass fraction of a cold neutral medium (CNM) embedded in a warm neutral medium (WNM). Our cosmological SPH simulations include a treatment of radiative cooling/heating, star formation, and feedback effects from supernovae and galactic winds. Using our method, we make predictions for the [C II] luminosity from high-redshift galaxies that can be directly compared with upcoming observations by the Atacama Large Millimeter Array (ALMA) and the Space Infrared Telescope for Cosmology and Astrophysics (SPICA). We find that the number density of high-redshift galaxies detectable by ALMA and SPICA via [C II] emission depends significantly on the amount of neutral gas, which is highly uncertain. Our calculations suggest that, in a CDM universe, most [C II] sources at z=3 are faint objects with Sν<0.01 mJy. Lyman break galaxies (LBGs) brighter than RAB=23.5 mag are expected to have flux densities Sν=1-3 mJy depending on the strength of galactic wind feedback. The recommended observing strategy for ALMA and SPICA is to aim at very bright LBGs or star-forming DRG/BzK galaxies.

Heating of H II regions with application to the Galactic center

NASA Technical Reports Server (NTRS)

Maloney, Philip R.; Hollenbach, David J.; Townes, Charles H.

1992-01-01

The heating and thermal equilibrium of photoionized gas is reviewed. Photon-heating mechanisms (UV photoionization heating, grain photoelectric heating, and X-ray heating) either fail to provide the required heating rates or else require that the ionization state of the gas is very high. Specific application to the Galactic center observations show that the total heating power required to maintain the gas at the derived temperatures, using the observed emission measure in the bar and the temperature distribution derived from the radio recombination lines, is about 7 x 10 exp 6 solar luminosities, comparable to the bolometric luminosity of the central source as measured by the FIR flux from grains. Thus, the cooling emission from this hot gas, if LTE-derived temperatures are correct, would supply a major fraction of the bolometric and ionizing luminosity inferred from the ionized gas in the central 1 pc cavity and the dust and neutral gas in the surrounding torus.

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. Copyright © 2015 Elsevier Inc. All rights reserved.

Identifying apparent local stable isotope equilibrium in a complex non-equilibrium system.

PubMed

He, Yuyang; Cao, Xiaobin; Wang, Jianwei; Bao, Huiming

2018-02-28

Although being out of equilibrium, biomolecules in organisms have the potential to approach isotope equilibrium locally because enzymatic reactions are intrinsically reversible. A rigorous approach that can describe isotope distribution among biomolecules and their apparent deviation from equilibrium state is lacking, however. Applying the concept of distance matrix in graph theory, we propose that apparent local isotope equilibrium among a subset of biomolecules can be assessed using an apparent fractionation difference (|Δα|) matrix, in which the differences between the observed isotope composition (δ') and the calculated equilibrium fractionation factor (1000lnβ) can be more rigorously evaluated than by using a previous approach for multiple biomolecules. We tested our |Δα| matrix approach by re-analyzing published data of different amino acids (AAs) in potato and in green alga. Our re-analysis shows that biosynthesis pathways could be the reason for an apparently close-to-equilibrium relationship inside AA families in potato leaves. Different biosynthesis/degradation pathways in tubers may have led to the observed isotope distribution difference between potato leaves and tubers. The analysis of data from green algae does not support the conclusion that AAs are further from equilibrium in glucose-cultured green algae than in the autotrophic ones. Application of the |Δα| matrix can help us to locate potential reversible reactions or reaction networks in a complex system such as a metabolic system. The same approach can be broadly applied to all complex systems that have multiple components, e.g. geochemical or atmospheric systems of early Earth or other planets. Copyright © 2017 John Wiley & Sons, Ltd.

Non-local Thermodynamic Equilibrium Abundance Analyses of the Extreme Helium Stars V652 Her and HD 144941

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pandey, Gajendra; Lambert, David L., E-mail: pandey@iiap.res.in, E-mail: dll@astro.as.utexas.edu

Optical high-resolution spectra of V652 Her and HD 144941, the two extreme helium stars with exceptionally low C/He ratios, have been subjected to a non-LTE abundance analysis using the tools TLUSTY and SYNSPEC. Defining atmospheric parameters were obtained from a grid of non-LTE atmospheres and a variety of spectroscopic indicators including He i and He ii line profiles, and the ionization equilibrium of ion pairs such as C ii/C iii and N ii/N iii. The various indicators provide a consistent set of atmospheric parameters: T {sub eff} = 25,000 ± 300 K, log g = 3.10 ± 0.12(cgs), and ξmore » = 13 ± 2 km s{sup −1} are provided for V652 Her, and T {sub eff} = 22,000 ± 600 K, log g = 3.45 ± 0.15 (cgs), and ξ = 10 km s{sup −1} are provided for HD 144941. In contrast to the non-LTE analyses, the LTE analyses—LTE atmospheres and an LTE line analysis—with the available indicators do not provide a consistent set of atmospheric parameters. The principal non-LTE effect on the elemental abundances is on the neon abundance. It is generally considered that these extreme helium stars with their very low C/He ratio result from the merger of two helium white dwarfs. Indeed, the derived composition of V652 Her is in excellent agreement with predictions by Zhang and Jeffery, who model the slow merger of helium white dwarfs; a slow merger results in the merged star having the composition of the accreted white dwarf. In the case of HD 144941, which appears to have evolved from metal-poor stars, a slow merger is incompatible with the observed composition but variations of the merger rate may account for the observed composition. More detailed theoretical studies of the merger of a pair of helium white dwarfs are to be encouraged.« less

Nano modification of NZVI with an aquatic plant Azolla filiculoides to remove Pb(II) and Hg(II) from water: Aging time and mechanism study.

PubMed

Arshadi, M; Abdolmaleki, M K; Mousavinia, F; Foroughifard, S; Karimzadeh, A

2017-01-15

This paper reports the preparation and stabilization of nano zero valent iron (NZVI) on a modified aquatic plant, Azolla filiculoides, and investigates its potential for the adsorption/reduction of Pb(II) and Hg(II) ions from aqueous media even after six months of storage in the lab condition. XRD, TEM and zeta potential results demonstrated that the Azolla-NaOH could be a good stabilizer of aged NZVI (six months) and the green support suppressed the oxidation and aggregation of immobilized NZVI. Kinetic and equilibrium models for lead and mercury ions uptake were developed by considering the effect of the initial Pb(II) and Hg(II) concentrations, contact time, adsorbent dosage, initial pH and effect of temperature. The contact time to obtain equilibrium for maximum uptake by Azolla-OH-NZVI was 20min. The removal of toxic metal ions has been monitored in terms of pseudo-first- and -second-order kinetics, and the Freundlich and Langmuir isotherms models have also been utilized to the equilibrium uptake results. The uptake kinetics followed the mechanism of the pseudo-second-order equation for all systems studied, confirming chemical sorption as the rate-limiting step of adsorption mechanisms and not involving a mass transfer in solution. The thermodynamic results confirmed that the uptake of Pb(II) and Hg(II) ions were feasible, spontaneous and endothermic at 25-80°C. XRD and zeta potential data displayed the existence of Pb(0) and Hg(0) on the Azolla-OH-NZVI surface. The nanobioadsorbent revealed high recyclability due to its reasonable uptake efficiency after 7th adsorption-desorption cycles. The proposed nano biocomposite could also be utilized to uptake Pb(II) and Hg(II) ions from the real water (Anzali lagoon water). However, coated NZVI with Azolla filiculoides as a green and environmentally friendly support suppressed rapid oxidation and aggregation of the immobilized NZVI, therefore vastly enhancing the probability of environmental transport and reducing

PAINeT: An object-oriented software package for simulations of flow-field, transport coefficients and flux terms in non-equilibrium gas mixture flows

NASA Astrophysics Data System (ADS)

Istomin, V. A.

2018-05-01

The software package Planet Atmosphere Investigator of Non-equilibrium Thermodynamics (PAINeT) has been devel-oped for studying the non-equilibrium effects associated with electronic excitation, chemical reactions and ionization. These studies are necessary for modeling process in shock tubes, in high enthalpy flows, in nozzles or jet engines, in combustion and explosion processes, in modern plasma-chemical and laser technologies. The advantages and possibilities of the package implementation are stated. Within the framework of the package implementation, based on kinetic theory approximations (one-temperature and state-to-state approaches), calculations are carried out, and the limits of applicability of a simplified description of shock-heated air flows and any other mixtures chosen by the user are given. Using kinetic theory algorithms, a numerical calculation of the heat fluxes and relaxation terms can be performed, which is necessary for further comparison of engineering simulation with experi-mental data. The influence of state-to-state distributions over electronic energy levels on the coefficients of thermal conductivity, diffusion, heat fluxes and diffusion velocities of the components of various gas mixtures behind shock waves is studied. Using the software package the accuracy of different approximations of the kinetic theory of gases is estimated. As an example state-resolved atomic ionized mixture of N/N+/O/O+/e- is considered. It is shown that state-resolved diffusion coefficients of neutral and ionized species vary from level to level. Comparing results of engineering applications with those given by PAINeT, recommendations for adequate models selection are proposed.

The effect of nonequilibrium ionization on ultraviolet line shifts in the solar transition region

NASA Technical Reports Server (NTRS)

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

1990-01-01

The line profiles and wavelength positions of all the important emission lines due to carbon were computed for a variety of steady state siphon flow loop models. For the lines from the lower ionization states (C II-C IV) a preponderance of blueshifts was found, contrary to the observations. The lines from the higher ionization states can show either a net red- or blueshift, depending on the position of the loop on the solar disk. Similar results are expected for oxygen. It is concluded that the observed redshifts cannot be explained by the models proposed here.

CALIBRATION OF EQUILIBRIUM TIDE THEORY FOR EXTRASOLAR PLANET SYSTEMS. II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, Brad M. S., E-mail: hansen@astro.ucla.edu

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 tomore » 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.« less

Directed Field Ionization

NASA Astrophysics Data System (ADS)

Gregoric, Vincent C.; Kang, Xinyue; Liu, Zhimin Cheryl; Rowley, Zoe A.; Carroll, Thomas J.; Noel, Michael W.

2017-04-01

Selective field ionization is an important experimental technique used to study the state distribution of Rydberg atoms. This is achieved by applying a steadily increasing electric field, which successively ionizes more tightly bound states. An atom prepared in an energy eigenstate encounters many avoided Stark level crossings on the way to ionization. As it traverses these avoided crossings, its amplitude is split among multiple different states, spreading out the time resolved electron ionization signal. By perturbing the electric field ramp, we can change how the atoms traverse the avoided crossings, and thus alter the shape of the ionization signal. We have used a genetic algorithm to evolve these perturbations in real time in order to arrive at a target ionization signal shape. This process is robust to large fluctuations in experimental conditions. This work was supported by the National Science Foundation under Grants No. 1607335 and No. 1607377 and used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant Number OCI-1053575.

Transitiometric analysis of solid II/solid I transition in anhydrous theophylline.

PubMed

Legendre, Bernard; Randzio, Stanislaw L

2007-10-01

For the first time, with the use of a high sensitivity, low heating rate, scanning transitiometry, it was possible to distinguish and characterise the polymorphic equilibrium transition between forms II and I in anhydrous theophylline. In this manner it was univocally proved, that forms II and I in theophylline are enantiotropically related. The temperature and enthalpy for that transition are as follows: T(trs)(II/I)=536.8+/-2.2K; Delta(trs)H(II/I)=1.99+/-0.09 kJ/mol. Making use of advantages of very slow heating rate and of a high energetic sensitivity of the transitiometer it was possible to observe in detail the polymorphic transition followed by melting of high temperature form I and to stop the solid I-liquid transition at a desired point of equilibrium. Such a solid I-liquid equilibrium could be stabilised and then displaced back to the crystallisation of form I with an adequate use of a precise temperature programming. In such a way a pure single phase of form I of theophylline was prepared. This fact was confirmed by X-ray powder diffraction patterns and calorimetric traces of fusion of the crystallised product. The temperature and enthalpy of the form I-liquid transition are as follows: T(fus)(I)=546.5+/-0.2K and Delta(fus)H(I)=29.37+/-0.29 kJ/mol.

Development of a particle-trap preconcentration-soft ionization mass spectrometric technique for the quantification of mercury halides in air.

PubMed

Deeds, Daniel A; Ghoshdastidar, Avik; Raofie, Farhad; Guérette, Élise-Andrée; Tessier, Alain; Ariya, Parisa A

2015-01-01

Measurement of oxidized mercury, Hg(II), in the atmosphere poses a significant analytical challenge as Hg(II) is present at ultra-trace concentrations (picograms per cubic meter air). Current technologies are sufficiently sensitive to measure the total Hg present as Hg(II) but cannot determine the chemical speciation of Hg(II). We detail here the development of a soft ionization mass spectrometric technique coupled with preconcentration onto nano- or microparticle-based traps prior to analysis for the measurement of mercury halides in air. The current methodology has comparable detection limits (4-11 pg m(-3)) to previously developed techniques for the measurement of total inorganic mercury in air while allowing for the identification of HgX2 in collected samples. Both mercury chloride and mercury bromide have been sporadically detected in Montreal urban and indoor air using atmospheric pressure chemical ionization-mass spectrometry (APCI-MS). We discuss limitations and advantages of the current technique and discuss potential avenues for future research including quantitative trace measurements of a larger range of mercury compounds.

Multi-period equilibrium/near-equilibrium in electricity markets based on locational marginal prices

NASA Astrophysics Data System (ADS)

Garcia Bertrand, Raquel

In this dissertation we propose an equilibrium procedure that coordinates the point of view of every market agent resulting in an equilibrium that simultaneously maximizes the independent objective of every market agent and satisfies network constraints. Therefore, the activities of the generating companies, consumers and an independent system operator are modeled: (1) The generating companies seek to maximize profits by specifying hourly step functions of productions and minimum selling prices, and bounds on productions. (2) The goals of the consumers are to maximize their economic utilities by specifying hourly step functions of demands and maximum buying prices, and bounds on demands. (3) The independent system operator then clears the market taking into account consistency conditions as well as capacity and line losses so as to achieve maximum social welfare. Then, we approach this equilibrium problem using complementarity theory in order to have the capability of imposing constraints on dual variables, i.e., on prices, such as minimum profit conditions for the generating units or maximum cost conditions for the consumers. In this way, given the form of the individual optimization problems, the Karush-Kuhn-Tucker conditions for the generating companies, the consumers and the independent system operator are both necessary and sufficient. The simultaneous solution to all these conditions constitutes a mixed linear complementarity problem. We include minimum profit constraints imposed by the units in the market equilibrium model. These constraints are added as additional constraints to the equivalent quadratic programming problem of the mixed linear complementarity problem previously described. For the sake of clarity, the proposed equilibrium or near-equilibrium is first developed for the particular case considering only one time period. Afterwards, we consider an equilibrium or near-equilibrium applied to a multi-period framework. This model embodies binary

What Protein Charging (and Supercharging) Reveal about the Mechanism of Electrospray Ionization

PubMed Central

Loo, Rachel R. Ogorzalek; Lakshmanan, Rajeswari

2014-01-01

Understanding the charging mechanism of electrospray ionization is central to overcoming shortcomings such as ion suppression or limited dynamic range and explaining phenomena such as supercharging. Towards that end, we explore what accumulated observations reveal about the mechanism of electrospray. We introduce the idea of an intermediate region for electrospray ionization (and other ionization methods) to account for the facts that solution charge state distributions (CSDs) do not correlate to those observed by ESI– MS (the latter bear more charge) and that gas phase reactions can reduce, but not increase the extent of charging. This region incorporates properties, e.g., basicities, intermediate between solution and gas phase. Assuming that droplet species polarize within the high electric field leads to equations describing ion emission resembling those from the equilibrium partitioning model. The equations predict many trends successfully, including CSD shifts to higher m/z for concentrated analytes and shifts to lower m/z for sprays employing smaller emitter opening diameters. From this view, a single mechanism can be formulated to explain how reagents that promote analyte charging (“supercharging”) such as m–NBA, sulfolane, and 3–nitrobenzonitrile increase analyte charge from “denaturing” and “native” solvent systems. It is suggested that additives’ Brønsted basicities are inversely correlated to their ability to shift CSDs to lower m/z in positive ESI, as are Brønsted acidities for negative ESI. Because supercharging agents reduce an analyte's solution ionization, excess spray charge is bestowed on evaporating ions carryingfewer opposing charges. Brønsted basicity (or acidity) determines how much ESI charge is lost to the agent (unavailable to evaporating analyte). PMID:25135609

Morphology and ionization of the interstellar cloud surrounding the solar system.

PubMed

Frisch, P C

1994-09-02

The first encounter between the sun and the surrounding interstellar cloud appears to have occurred 2000 to 8000 years ago. The sun and cloud space motions are nearly perpendicular, an indication that the sun is skimming the cloud surface. The electron density derived for the surrounding cloud from the carbon component of the anomalous cosmic ray population in the solar system and from the interstellar ratio of Mg(+) to Mg degrees toward Sirius support an equilibrium model for cloud ionization (an electron density of 0.22 to 0.44 per cubic centimeter). The upwind magnetic field direction is nearly parallel to the cloud surface. The relative sun-cloud motion indicates that the solar system has a bow shock.

Wind bubbles within H ii regions around slowly moving stars

NASA Astrophysics Data System (ADS)

Mackey, Jonathan; Gvaramadze, Vasilii V.; Mohamed, Shazrene; Langer, Norbert

2015-01-01

Interstellar bubbles around O stars are driven by a combination of the star's wind and ionizing radiation output. The wind contribution is uncertain because the boundary between the wind and interstellar medium is difficult to observe. Mid-infrared observations (e.g., of the H ii region RCW 120) show arcs of dust emission around O stars, contained well within the H ii region bubble. These arcs could indicate the edge of an asymmetric stellar wind bubble, distorted by density gradients and/or stellar motion. We present two-dimensional, radiation-hydrodynamics simulations investigating the evolution of wind bubbles and H ii regions around massive stars moving through a dense (nH = 3000 cm-3), uniform medium with velocities ranging from 4 to 16 km s-1. The H ii region morphology is strongly affected by stellar motion, as expected, but the wind bubble is also very aspherical from birth, even for the lowest space velocity considered. Wind bubbles do not fill their H ii regions (we find filling factors of 10-20 per cent), at least for a main sequence star with mass M⋆ ~ 30 M⊙. Furthermore, even for supersonic velocities the wind bow shock does not significantly trap the ionization front. X-ray emission from the wind bubble is soft, faint, and comes mainly from the turbulent mixing layer between the wind bubble and the H ii region. The wind bubble radiates <1 per cent of its energy in X-rays; it loses most of its energy by turbulent mixing with cooler photoionized gas. Comparison of the simulations with the H ii region RCW 120 shows that its dynamical age is ≲0.4 Myr and that stellar motion ≲4 km s-1 is allowed, implying that the ionizing source is unlikely to be a runaway star but more likely formed in situ. The region's youth, and apparent isolation from other O or B stars, makes it very interesting for studies of massive star formation and of initial mass functions. Movies are available in electronic form at http://www.aanda.org

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…

Emission-line diagnostics of nearby H II regions including interacting binary populations

NASA Astrophysics Data System (ADS)

Xiao, Lin; Stanway, Elizabeth R.; Eldridge, J. J.

2018-06-01

We present numerical models of the nebular emission from H II regions around young stellar populations over a range of compositions and ages. The synthetic stellar populations include both single stars and interacting binary stars. We compare these models to the observed emission lines of 254 H II regions of 13 nearby spiral galaxies and 21 dwarf galaxies drawn from archival data. The models are created using the combination of the BPASS (Binary Population and Spectral Synthesis) code with the photoionization code CLOUDY to study the differences caused by the inclusion of interacting binary stars in the stellar population. We obtain agreement with the observed emission line ratios from the nearby star-forming regions and discuss the effect of binary-star evolution pathways on the nebular ionization of H II regions. We find that at population ages above 10 Myr, single-star models rapidly decrease in flux and ionization strength, while binary-star models still produce strong flux and high [O III]/H β ratios. Our models can reproduce the metallicity of H II regions from spiral galaxies, but we find higher metallicities than previously estimated for the H II regions from dwarf galaxies. Comparing the equivalent width of H β emission between models and observations, we find that accounting for ionizing photon leakage can affect age estimates for H II regions. When it is included, the typical age derived for H II regions is 5 Myr from single-star models, and up to 10 Myr with binary-star models. This is due to the existence of binary-star evolution pathways, which produce more hot Wolf-Rayet and helium stars at older ages. For future reference, we calculate new BPASS binary maximal starburst lines as a function of metallicity, and for the total model population, and present these in Appendix A.

HST/COS detection of a Ne VIII absorber towards PG 1407+265: an unambiguous tracer of collisionally ionized hot gas?

NASA Astrophysics Data System (ADS)

Hussain, T.; Muzahid, S.; Narayanan, A.; Srianand, R.; Wakker, B. P.; Charlton, J. C.; Pathak, A.

2015-01-01

We report the detection of Ne VIII in a zabs = 0.599 61 absorber towards the QSO PG1407+265 (zem= 0.94). Besides Ne VIII, absorption from H I Lyman series lines (H I λ1025-λ915), several other low (C II, N II, O II and S II), intermediate (C III, N III, N IV, O III, S IV and S V) and high (S VI, O VI and Ne VIII) ionization metal lines are detected. Disparity in the absorption line kinematics between different ions implies that the absorbing gas comprises of multiple ionization phases. The low and the intermediate ions (except S V) trace a compact (˜410 pc), metal-rich (Z ˜ Z⊙) and overdense (log nH ˜ -2.6) photoionized region that sustained star formation for a prolonged period. The high ions, Ne VIII and O VI, can be explained as arising in a low density (-5.3 ≤ log nH ≤ -5.0), metal-rich (Z ≳ Z⊙) and diffuse (˜180 kpc) photoionized gas. The S V, S VI and C IV [detected in the Faint Object Spectrograph (FOS) spectrum] require an intermediate photoionization phase with -4.2 < log nH < -3.5. Alternatively, a pure collisional ionization model, as used to explain the previous known Ne VIII absorbers, with 5.65 < log T < 5.72, can reproduce the S VI, O VI and Ne VIII column densities simultaneously in a single phase. However, even such models require an intermediate phase to reproduce any observable S V and/or C IV. Therefore, we conclude that when multiple phases are present, the presence of Ne VIII is not necessarily an unambiguous indication of collisionally ionized hot gas.

Binary adsorption of copper(II) and cadmium(II) from aqueous solutions by biomass of marine alga Durvillaea potatorum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Q.; Kaewsarn, P.

1999-06-01

Much work on the biosorption of heavy metals by low-cost, natural biomass has been on the uptake of single metals. In practice, wastewaters often contain multiple heavy metal ions. In this paper the binary adsorption of copper(II) and cadmium(II) by a pretreated biomass of the marine alga Durvillaea potatorum from aqueous solutions was studied. The results showed that the uptake capacities for each heavy metal of the binary system were lower when compared with the single metal biosorption for copper and cadmium, respectively, but the total capacities for the binary system were similar to those obtained for single metal biosorption.more » The uptake capacities for copper and cadmium increased as the equilibrium pH increased and reached a plateau at a pH around 5.0. The uptake process was relatively fast, with 90% of the adsorption completed within 10 minutes for copper and 30 minutes for cadmium, and equilibrium reached after about 60 minutes of stirring. The biosorption isotherms of binary systems were not significantly affected by equilibrium temperature. The presence of light metal ions in solution also did not affect adsorption significantly. The binary adsorption was successfully predicted by the extended Langmuir model, using parameters and capacities obtained from single component systems.« less

Paper spray mass spectrometry applied in the monitoring of a chemical system in dynamic chemical equilibrium: the redox process of methylene blue.

PubMed

de Paula, Camila Cristina Almeida; Valadares, Alberto; Jurisch, Marina; Piccin, Evandro; Augusti, Rodinei

2016-05-15

The monitoring of chemical systems in dynamic equilibrium is not an easy task. This is due to the high rate at which the system returns to equilibrium after being perturbed, which hampers the possibility of following the aftereffects of the disturbance. In this context, it is necessary to use a fast analytical technique that requires no (or minimal) sample preparation, and which is capable of monitoring the species constituting the system in equilibrium. Paper spray ionization mass spectrometry (PS-MS), a recently introduced ambient ionization technique, has such characteristics and hence was chosen for monitoring a model system: the redox process of methylene blue. The model system evaluated herein was composed of three cationic species of methylene blue (MB), which coexist in a dynamic redox system: (1) [MB](+) of m/z 284 (cationic MB); (2) [MB + H + e](+•) of m/z 285 (the protonated form of a transient species resulting from the reduction of [MB](+) ); (3) [MB + 2H + 2e](+) or [leuco-MB + H](+) of m/z 286 (the protonated leuco form of MB). Aliquots of a MB solution were collected before and after the addition of a reducing agent (metallic zinc) and directly analyzed by PS-MS for identification of the predominant cationic species at different conditions. The mass spectra revealed that before the addition of the reducing agent the ion of m/z 284 (cationic MB) is the unique species. Upon the addition of the reducing agent and acid, however, the solution continuously undergo discoloration while reduced species derived directly from cationic MB (m/z 285 and 286) are detected in the mass spectra with increasing intensities. Fragmentation patterns obtained for each ionic species, i.e. [MB](+) , [MB + H + e](+•) and [leuco-MB + H](+) , shown to be consistent with the proposed structures. The PS-MS technique proved to be suitable for an in situ and 'near' real-time analysis of the dynamic equilibrium involving the redox of MB in aqueous medium. The data clearly

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…

3D equilibrium reconstruction with islands

DOE PAGES

Cianciosa, M.; Hirshman, S. P.; Seal, S. K.; ...

2018-02-15

This study presents the development of a 3D equilibrium reconstruction tool and the results of the first-ever reconstruction of an island equilibrium. The SIESTA non-nested equilibrium solver has been coupled to the V3FIT 3D equilibrium reconstruction code. Computed from a coupled VMEC and SIESTA model, synthetic signals are matched to measured signals by finding an optimal set of equilibrium parameters. By using the normalized pressure in place of normalized flux, non-equilibrium quantities needed by diagnostic signals can be efficiently mapped to the equilibrium. The effectiveness of this tool is demonstrated by reconstructing an island equilibrium of a DIII-D inner wallmore » limited L-mode case with an n = 1 error field applied. Finally, flat spots in Thomson and ECE temperature diagnostics show the reconstructed islands have the correct size and phase.« less

3D equilibrium reconstruction with islands

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cianciosa, M.; Hirshman, S. P.; Seal, S. K.

This study presents the development of a 3D equilibrium reconstruction tool and the results of the first-ever reconstruction of an island equilibrium. The SIESTA non-nested equilibrium solver has been coupled to the V3FIT 3D equilibrium reconstruction code. Computed from a coupled VMEC and SIESTA model, synthetic signals are matched to measured signals by finding an optimal set of equilibrium parameters. By using the normalized pressure in place of normalized flux, non-equilibrium quantities needed by diagnostic signals can be efficiently mapped to the equilibrium. The effectiveness of this tool is demonstrated by reconstructing an island equilibrium of a DIII-D inner wallmore » limited L-mode case with an n = 1 error field applied. Finally, flat spots in Thomson and ECE temperature diagnostics show the reconstructed islands have the correct size and phase.« less

3D equilibrium reconstruction with islands

NASA Astrophysics Data System (ADS)

Cianciosa, M.; Hirshman, S. P.; Seal, S. K.; Shafer, M. W.

2018-04-01

This paper presents the development of a 3D equilibrium reconstruction tool and the results of the first-ever reconstruction of an island equilibrium. The SIESTA non-nested equilibrium solver has been coupled to the V3FIT 3D equilibrium reconstruction code. Computed from a coupled VMEC and SIESTA model, synthetic signals are matched to measured signals by finding an optimal set of equilibrium parameters. By using the normalized pressure in place of normalized flux, non-equilibrium quantities needed by diagnostic signals can be efficiently mapped to the equilibrium. The effectiveness of this tool is demonstrated by reconstructing an island equilibrium of a DIII-D inner wall limited L-mode case with an n = 1 error field applied. Flat spots in Thomson and ECE temperature diagnostics show the reconstructed islands have the correct size and phase. ).

Examples of equilibrium and non-equilibrium behavior in evolutionary systems

NASA Astrophysics Data System (ADS)

Soulier, Arne

With this thesis, we want to shed some light into the darkness of our understanding of simply defined statistical mechanics systems and the surprisingly complex dynamical behavior they exhibit. We will do so by presenting in turn one equilibrium and then one non-equilibrium system with evolutionary dynamics. In part 1, we will present the seceder-model, a newly developed system that cannot equilibrate. We will then study several properties of the system and obtain an idea of the richness of the dynamics of the seceder model, which is particular impressive given the minimal amount of modeling necessary in its setup. In part 2, we will present extensions to the directed polymer in random media problem on a hypercube and its connection to the Eigen model of evolution. Our main interest will be the influence of time-dependent and time-independent changes in the fitness landscape viewed by an evolving population. This part contains the equilibrium dynamics. The stochastic models and the topic of evolution and non-equilibrium in general will allow us to point out similarities to the various lines of thought in game theory.

Electronic structure of neutral and singly ionized curium

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

1985-02-01

Extensive observations and analyses of the emission spectra of neutral and singly ionized curium, Cm I and Cm II, have resulted in the determination of 785 Cm I and 598 Cm II energy levels. These levels then combine to classify 9145 of the more than 14,250 lines of /sup 244/Cm observed between 240 and 2650 nm. Most of the levels have Lande g-values from Zeeman effect data and isotope shifts trom measurements of spectra from sources with various enrichments of /sup 244/Cm, /sup 245/Cm, /sup 246/Cm, and /sup 248/Cm. These data allowed many levels to be assigned to specific electronicmore » configurations. The ground configurations of Cm I and Cm II are (Rn) 5f/sup 7/6d7s/sup 2/ and (Rn) 5f/sup 7/7s/sup 2/, respectively. The realtive energies of other electronic configurations of Cm are given and compared with analogous configurations in other actinides and in Gd its lanthanide analogue. 2 refs., 5 figs., 7 tabs.« less

Shape transition of endotaxial islands growth from kinetically constrained to equilibrium regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhi-Peng, E-mail: LI.Zhipeng@nims.go.jp; Global Research Center for Environment and Energy based on Nanomaterials Science, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044; Tok, Engsoon

2013-09-01

Graphical abstract: - Highlights: • All Fe{sub 13}Ge{sub 8} islands will grow into Ge(0 0 1) substrate at temperatures from 350 to 675 °C. • Shape transition occurred from kinetically constrained to equilibrium regime. • All endotaxial islands can be clarified into two types. • The mechanisms of endotaxial growth and shape transition have been rationalized. - Abstract: A comprehensive study of Fe grown on Ge(0 0 1) substrates has been conducted at elevated temperatures, ranging from 350 to 675 °C. All iron germinide islands, with the same Fe{sub 13}Ge{sub 8} phase, grow into the Ge substrate with the samemore » epitaxial relationship. Shape transition occurs from small square islands (low temperatures), to elongated orthogonal islands or orthogonal nanowires (intermediate temperatures), and then finally to large square orthogonal islands (high temperatures). According to both transmission electron microscopy (TEM) and atomic force microscopy (AFM) investigations, all islands can be defined as either type-I or type-II. Type-I islands usually form at kinetically constrained growth regimes, like truncated pyramids. Type-II islands usually appear at equilibrium growth regimes forming a dome-like shape. Based on a simple semi-quantitative model, type-II islands have a lower total energy per volume than type-I, which is considered as the dominant mechanism for this type of shape transition. Moreover, this study not only elucidates details of endotaxial growth in the Fe–Ge system, but also suggests the possibility of controlled fabrication of temperature-dependent nanostructures, especially in materials with dissimilar crystal structures.« less

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.

Development of CDMS-II Surface Event Rejection Techniques and Their Extensions to Lower Energy Thresholds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofer, Thomas James

2014-12-01

The CDMS-II phase of the Cryogenic Dark Matter Search, a dark matter direct-detection experiment, was operated at the Soudan Underground Laboratory from 2003 to 2008. The full payload consisted of 30 ZIP detectors, totaling approximately 1.1 kg of Si and 4.8 kg of Ge, operated at temperatures of 50 mK. The ZIP detectors read out both ionization and phonon pulses from scatters within the crystals; channel segmentation and analysis of pulse timing parameters allowed e ective ducialization of the crystal volumes and background rejection su cient to set world-leading limits at the times of their publications. A full re-analysis ofmore » the CDMS-II data was motivated by an improvement in the event reconstruction algorithms which improved the resolution of ionization energy and timing information. The Ge data were re-analyzed using three distinct background-rejection techniques; the Si data from runs 125 - 128 were analyzed for the rst time using the most successful of the techniques from the Ge re-analysis. The results of these analyses prompted a novel \\mid-threshold" analysis, wherein energy thresholds were lowered but background rejection using phonon timing information was still maintained. This technique proved to have signi cant discrimination power, maintaining adequate signal acceptance and minimizing background leakage. The primary background for CDMS-II analyses comes from surface events, whose poor ionization collection make them di cult to distinguish from true nuclear recoil events. The novel detector technology of SuperCDMS, the successor to CDMS-II, uses interleaved electrodes to achieve full ionization collection for events occurring at the top and bottom detector surfaces. This, along with dual-sided ionization and phonon instrumentation, allows for excellent ducialization and relegates the surface-event rejection techniques of CDMS-II to a secondary level of background discrimination. Current and future SuperCDMS results hold great promise for mid

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.

THE HYDRODYNAMICAL MODELS OF THE COMETARY COMPACT H ii REGION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Feng-Yao; Zhu, Qing-Feng; Li, Juan

2015-10-10

We have developed a full numerical method to study the gas dynamics of cometary ultracompact H ii regions, and associated photodissociation regions (PDRs). The bow-shock and champagne-flow models with a 40.9/21.9 M{sub ⊙} star are simulated. In the bow-shock models, the massive star is assumed to move through dense (n = 8000 cm{sup −3}) molecular material with a stellar velocity of 15 km s{sup −1}. In the champagne-flow models, an exponential distribution of density with a scale height of 0.2 pc is assumed. The profiles of the [Ne ii] 12.81 μm and H{sub 2} S(2) lines from the ionized regionsmore » and PDRs are compared for two sets of models. In champagne-flow models, emission lines from the ionized gas clearly show the effect of acceleration along the direction toward the tail due to the density gradient. The kinematics of the molecular gas inside the dense shell are mainly due to the expansion of the H ii region. However, in bow-shock models the ionized gas mainly moves in the same direction as the stellar motion. The kinematics of the molecular gas inside the dense shell simply reflects the motion of the dense shell with respect to the star. These differences can be used to distinguish two sets of models.« less

Improved log(gf ) Values of Selected Lines in Mn I and Mn II for Abundance Determinations in FGK Dwarfs and Giants

NASA Astrophysics Data System (ADS)

Den Hartog, E. A.; Lawler, J. E.; Sobeck, J. S.; Sneden, C.; Cowan, J. J.

2011-06-01

The goal of the present work is to produce transition probabilities with very low uncertainties for a selected set of multiplets of Mn I and Mn II. Multiplets are chosen based upon their suitability for stellar abundance analysis. We report on new radiative lifetime measurements for 22 levels of Mn I from the e 8 D, z 6 P, z 6 D, z 4 F, e 8 S, and e 6 S terms and six levels of Mn II from the z 5 P and z 7 P terms using time-resolved laser-induced fluorescence on a slow atom/ion beam. New branching fractions for transitions from these levels, measured using a Fourier-transform spectrometer, are reported. When combined, these measurements yield transition probabilities for 47 transitions of Mn I and 15 transitions of Mn II. Comparisons are made to data from the literature and to Russell-Saunders (LS) theory. In keeping with the goal of producing a set of transition probabilities with the highest possible accuracy and precision, we recommend a weighted mean result incorporating our measurements on Mn I and II as well as independent measurements or calculations that we view as reliable and of a quality similar to ours. In a forthcoming paper, these Mn I/II transition probability data will be utilized to derive the Mn abundance in stars with spectra from both space-based and ground-based facilities over a 4000 Å wavelength range. With the employment of a local thermodynamic equilibrium line transfer code, the Mn I/II ionization balance will be determined for stars of different evolutionary states.

Contactless measurement of equilibrium electron concentrations in n-type InAs/InAs{sub 1−x}Sb{sub x} type-II superlattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olson, B. V., E-mail: bolson@vixarinc.com; Kadlec, E. A.; Kim, J. K.

2016-07-11

Measurements of the equilibrium majority carrier electron concentration (n{sub 0}) in narrow-bandgap n-type InAs/InAs{sub 1−x}Sb{sub x} type-II superlattices are made using contactless time-resolved microwave reflectance (TMR). By calibrating TMR decays to the number of optically injected electron-hole pairs, direct conversion to carrier lifetimes as a function of excited carrier density is made and allowing for accurate measurement of n{sub 0}. The temperature dependence of both n{sub 0} and the intrinsic carrier density (n{sub i}) are measured using this method, where n{sub 0} = 1 × 10{sup 15 }cm{sup −3} and n{sub i} = 1.74 × 10{sup 11 }cm{sup −3} at 100 K. These results provide non-destructive insight into critical parameters thatmore » directly determine infrared photodetector dark diffusion current.« less

Adsorption of Ni(II) onto Chemically Modified Spent Grated Coconut (Cocos Nucifera)

NASA Astrophysics Data System (ADS)

Hamzah, F. I.; Khalid, K.; Hanafiah, M. A. K. M.

2017-06-01

A new adsorbent of plant waste origin from coconut processing food factory was explored for removing Ni(II) from aqueous solutions. Several parameters such as pH, dosage, concentration and contact time were studied to obtain optimum conditions for treatment of Ni(II) contaminated wastewater. Spent grated coconut (Cocos nucifera) treated with sulfuric acid (SSGC) showed good adsorption capacity for Ni(II) ion. The amount adsorbed was affected by solution pH with the highest value achieved at pH 5. Other optimum conditions found were; dosage of 0.02 g, and 60 min of equilibrium time. Ni(II) adsorption obeyed the pseudo-second order kinetic model which suggested that chemisorption mechanism occurred in the adsorption process. The equilibrium data presented a better fitting to the Langmuir isotherm model, an indication that monolayer adsorption occurred onto a homogeneous surface. The maximum adsorption capacity, qmax was 97.09 mg g-1, thus SSGC can be classified as good and comparable with other plant waste adsorbents.

Ionization Waves of Arbitrary Velocity

NASA Astrophysics Data System (ADS)

Turnbull, D.; Franke, P.; Katz, J.; Palastro, J. P.; Begishev, I. A.; Boni, R.; Bromage, J.; Milder, A. L.; Shaw, J. L.; Froula, D. H.

2018-06-01

Flying focus is a technique that uses a chirped laser beam focused by a highly chromatic lens to produce an extended focal region within which the peak laser intensity can propagate at any velocity. When that intensity is high enough to ionize a background gas, an ionization wave will track the intensity isosurface corresponding to the ionization threshold. We report on the demonstration of such ionization waves of arbitrary velocity. Subluminal and superluminal ionization fronts were produced that propagated both forward and backward relative to the ionizing laser. All backward and all superluminal cases mitigated the issue of ionization-induced refraction that typically inhibits the formation of long, contiguous plasma channels.

THE IONIZED GAS IN NEARBY GALAXIES AS TRACED BY THE [NII] 122 AND 205 μm TRANSITIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herrera-Camus, R.; Bolatto, A.; Wolfire, M.

2016-08-01

The [N ii] 122 and 205 μ m 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 {sub e} ∼ 1–300 cm{sup −3}, with a median value of n {sub e} = 30 cm{sup −3}. Variations in the electron densitymore » within individual galaxies can be as high as a factor of ∼50, frequently with strong radial gradients. We find that n {sub e} increases as a function of infrared color, dust-weighted mean starlight intensity, and star-formation rate (SFR) surface density (Σ{sub SFR}). 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 Σ{sub SFR} can be understood as a property of the n {sub e} distribution. For regions with n {sub 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 {sub e} by comparing our observations to predictions from the MAPPINGS-III code.« less

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.

Stabilization of Proteins and Noncovalent Protein Complexes during Electrospray Ionization by Amino Acid Additives.

PubMed

Zhang, Hua; Lu, Haiyan; Chingin, Konstantin; Chen, Huanwen

2015-07-21

Ionization of proteins and noncovalent protein complexes with minimal disturbance to their native structure presents a great challenge for biological mass spectrometry (MS). In living organisms, the native structure of intracellular proteins is commonly stabilized by solute amino acids (AAs) accumulated in cells at very high concentrations. Inspired by nature, we hypothesized that AAs could also pose a stabilizing effect on the native structure of proteins and noncovalent protein complexes during ionization. To test this hypothesis, here we explored MS response for various protein complexes upon the addition of free AAs at mM concentrations into the electrospray ionization (ESI) solution. Thermal activation of ESI droplets in the MS inlet capillary was employed as a model destabilizing factor during ionization. Our results indicate that certain AAs, in particular proline (Pro), pose considerable positive effect on the stability of noncovalent protein complexes in ESI-MS without affecting the signal intensity of protein ions and original protein-ligand equilibrium, even when added at the 20 mM concentration. The data suggest that the degree of protein stabilization is primarily determined by the osmolytic and ampholytic characteristics of AA solutes. The highest stability and visibility of noncovalent protein complexes in ESI-MS are achieved using AA additives with neutral isoelectric point, moderate proton affinity, and unfavorable interaction with the native protein state. Overall, our results indicate that the simple addition of free amino acids into the working solution can notably improve the stability and accuracy of protein analysis by native ESI-MS.

THE SPECTRUM OF Fe II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nave, Gillian; Johansson, Sveneric, E-mail: gillian.nave@nist.gov

2013-01-15

The spectrum of singly ionized iron (Fe II) has been recorded using high-resolution Fourier transform (FT) and grating spectroscopy over the wavelength range 900 A to 5.5 {mu}m. The spectra were observed in high-current continuous and pulsed hollow cathode discharges using FT spectrometers at the Kitt Peak National Observatory, Tucson, AZ and Imperial College, London and with the 10.7 m Normal Incidence Spectrograph at the National Institute of Standards and Technology. Roughly 12,900 lines were classified using 1027 energy levels of Fe II that were optimized to measured wavenumbers. The wavenumber uncertainties of lines in the FT spectra range frommore » 10{sup -4} cm{sup -1} for strong lines around 4 {mu}m to 0.05 cm{sup -1} for weaker lines around 1500 A. The wavelength uncertainty of lines in the grating spectra is 0.005 A. The ionization energy of (130,655.4 {+-} 0.4) cm{sup -1} was estimated from the 3d{sup 6}({sup 5}D)5g and 3d{sup 6}({sup 5}D)6h levels.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch

2016-07-28

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 structuremore » 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.« less

Ultrasound ionization of biomolecules.

PubMed

Wu, Chen-I; Wang, Yi-Sheng; Chen, Nelson G; Wu, Chung-Yi; Chen, Chung-Hsuan

2010-09-15

To date, mass spectrometric analysis of biomolecules has been primarily performed with either matrix-assisted laser desorption/ionization (MALDI) or electrospray ionization (ESI). In this work, ultrasound produced by a simple piezoelectric device is shown as an alternative method for soft ionization of biomolecules. Precursor ions of proteins, saccharides and fatty acids showed little fragmentation. Cavitation is considered as a primary mechanism for the ionization of biomolecules. Copyright 2010 John Wiley & Sons, Ltd.

Feasibility of atmospheric pressure desorption/ionization on silicon mass spectrometry in analysis of drugs.

PubMed

Huikko, K; Ostman, P; Sauber, C; Mandel, F; Grigoras, K; Franssila, S; Kotiaho, T; Kostiainen, R

2003-01-01

The feasibility of atmospheric pressure desorption/ionization on silicon mass spectrometry (AP-DIOS-MS) for drug analysis was investigated. It was observed that only compounds with relative high proton affinity are efficiently ionized under AP-DIOS conditions. The limits of detection (LODs) achieved in MS mode with midazolam, propranolol, and angiotensin II were 80 fmol, 20 pmol, and 1 pmol, respectively. In MS/MS mode the LODs for midazolam and propranolol were 10 fmol and 5 pmol, respectively. The good linearity (r(2) > 0.991), linear dynamic range of 3 orders of magnitude, and reasonable repeatability showed that the method is suitable for quantitative analysis. Copyright 2003 John Wiley & Sons, Ltd.

Is ionized calcium a reliable predictor of hypocalcemia after total thyroidectomy? A before and after study

PubMed Central

TARTAGLIA, F.; GIULIANI, A.; SGUEGLIA, M.; PATRIZI, G.; DI ROCCO, G.; BLASI, S.; RUSSO, G.; TORTORELLI, G.; GIANNOTTI, D.; REDLER, A.

2014-01-01

Summary Wanting to find a way of identifying patients suitable for early discharge after thyroidectomy, we set out to establish whether ionized calcium concentration is a better predictor of post-surgical hypocalcemia than total serum calcium. Data were analyzed to establish whether serum ionized calcium concentrations are correlated with total serum calcium levels and symptomatic hypocalcemia after thyroidectomy. Sixty-two patients undergoing total thyroidectomy at the Department of Surgical Sciences of the “Sapienza” University of Rome, Italy, in 2010. Ionized calcium was measured before (day 0) and after surgery (days 1, 2 and 60) in all the patients. These measurements were compared with preoperative (day 0) and postoperative total serum calcium levels (days 1, 2 and 60). The preoperative ionized calcium levels differed from the ionized calcium levels recorded on days 1 and 2; this pattern was not observed for the total calcium concentrations. Conversely, total calcium on days I and II correlated significantly with the various ionized calcium measurements. The presence of parathyroid glands in the surgical specimen did not seem to affect suitability for discharge. The statistical analysis showed that ionized calcium measurements are more reliable than total calcium measurements in the immediate and long-term follow-up of total thyroidectomy patients. Applying a 95% confidence interval we established reference values for both total serum calcium and ionized calcium, below which all patients develop postoperative symptomatic hypocalcemia. In conclusion, measurement of ionized calcium, as opposed to total calcium, should be strongly recommended in the immediate and long-term follow-up of total thyroidectomy patients. PMID:24690338

Ionization Waves of Arbitrary Velocity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turnbull, D.; Franke, P.; Katz, J.

The flying focus is a technique in which a chirped laser beam is focused by a chromatic lens to produce an extended focal spot within which laser intensity can propagate at any velocity. If the intensity is above the ionization threshold of a background gas, an ionization wave will track the ionization threshold intensity isosurface as it propagates. We report on the demonstration of such ionization waves of arbitrary velocity. Subluminal and superluminal ionization fronts were produced, both forward- and backward-propagating relative to the ionizing laser. In conclusion, all backward and all superluminal cases mitigated the issue of ionization-induced refractionmore » that typically challenges the formation of long, contiguous plasma channels.« less

Ionization Waves of Arbitrary Velocity

DOE PAGES

Turnbull, D.; Franke, P.; Katz, J.; ...

2018-05-31

The flying focus is a technique in which a chirped laser beam is focused by a chromatic lens to produce an extended focal spot within which laser intensity can propagate at any velocity. If the intensity is above the ionization threshold of a background gas, an ionization wave will track the ionization threshold intensity isosurface as it propagates. We report on the demonstration of such ionization waves of arbitrary velocity. Subluminal and superluminal ionization fronts were produced, both forward- and backward-propagating relative to the ionizing laser. In conclusion, all backward and all superluminal cases mitigated the issue of ionization-induced refractionmore » that typically challenges the formation of long, contiguous plasma channels.« less

Synthesis and characterization of hydroxyapatite nanoparticles impregnated on apple pomace to enhanced adsorption of Pb(II), Cd(II), and Ni(II) ions from aqueous solution.

PubMed

Chand, Piar; Pakade, Yogesh B

2015-07-01

Hydroxyapatite nanoparticles were synthesized, characterized, and impregnated onto apple pomace surface (HANP@AP) for efficient removal of Pb(II), Cd(II), and Ni(II) ions from water. HANP@AP was characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), transmission electron microscope (TEM), X-ray diffraction (XRD), and surface area analysis. Batch sorption studies were carried out to investigate the influence of different parameters as amount of dose (g), pH, time (min), and initial concentration (mg L(-1)) on adsorption process. Experimental kinetic data followed pseudo-second-order model and equilibrium data well fitted to Langmuir adsorption model with maximum adsorption capacities of 303, 250, and 100 mg g(-1) for Pb(II), Cd(II), and Ni(II) ions, respectively. Competitive adsorption of Pb(II), Cd(II), and Ni(II) ions in presences of each other was studied to evaluate the removal efficiency of HANP@AP against multi metal-loaded water. HANP@AP was successfully applied to real industrial wastewater with 100 % removal of all three metal ions even at high concentration. HANP@AP could be recycled for four, four, and three cycles in case of Pb(II), Cd(II) and Ni(II), respectively. The study showed that HANP@AP is fast, cost effective, and environmental friendly adsorbent for removal of Pb(II), Cd(II), and Ni(II) ions from real industrial wastewater.

Tunable Ionization Modes of a Flowing Atmospheric-Pressure Afterglow (FAPA) Ambient Ionization Source.

PubMed

Badal, Sunil P; Michalak, Shawn D; Chan, George C-Y; You, Yi; Shelley, Jacob T

2016-04-05

Plasma-based ambient desorption/ionization sources are versatile in that they enable direct ionization of gaseous samples as well as desorption/ionization of analytes from liquid and solid samples. However, ionization matrix effects, caused by competitive ionization processes, can worsen sensitivity or even inhibit detection all together. The present study is focused on expanding the analytical capabilities of the flowing atmospheric-pressure afterglow (FAPA) source by exploring additional types of ionization chemistry. Specifically, it was found that the abundance and type of reagent ions produced by the FAPA source and, thus, the corresponding ionization pathways of analytes, can be altered by changing the source working conditions. High abundance of proton-transfer reagent ions was observed with relatively high gas flow rates and low discharge currents. Conversely, charge-transfer reagent species were most abundant at low gas flows and high discharge currents. A rather nonpolar model analyte, biphenyl, was found to significantly change ionization pathway based on source operating parameters. Different analyte ions (e.g., MH(+) via proton-transfer and M(+.) via charge-transfer) were formed under unique operating parameters demonstrating two different operating regimes. These tunable ionization modes of the FAPA were used to enable or enhance detection of analytes which traditionally exhibit low-sensitivity in plasma-based ADI-MS analyses. In one example, 2,2'-dichloroquaterphenyl was detected under charge-transfer FAPA conditions, which were difficult or impossible to detect with proton-transfer FAPA or direct analysis in real-time (DART). Overall, this unique mode of operation increases the number and range of detectable analytes and has the potential to lessen ionization matrix effects in ADI-MS analyses.

The Equilibrium Rule--A Personal Discovery

ERIC Educational Resources Information Center

Hewitt, Paul G.

2016-01-01

Examples of equilibrium are evident everywhere and the equilibrium rule provides a reasoned way to view all things, whether in static (balancing rocks, steel beams in building construction) or dynamic (airplanes, bowling balls) equilibrium. Interestingly, the equilibrium rule applies not just to objects at rest but whenever any object or system of…

Are two plasma equilibrium states possible when the emission coefficient exceeds unity?

NASA Astrophysics Data System (ADS)

Campanell, M. D.; Umansky, M. V.

2017-05-01

Two floating sheath solutions with strong electron emission in planar geometry have been proposed, a "space-charge limited" (SCL) sheath and an "inverse" sheath. SCL and inverse models contain different assumptions about conditions outside the sheath (e.g., the velocity of ions entering the sheath). So it is not yet clear whether both sheaths are possible in practice, or only one. Here we treat the global presheath-sheath problem for a plasma produced volumetrically between two planar walls. We show that all equilibrium requirements (a) floating condition, (b) plasma shielding, and (c) presheath force balance, can indeed be satisfied in two different ways when the emission coefficient γ > 1. There is one solution with SCL sheaths and one with inverse sheaths, each with sharply different presheath distributions. As we show for the first time in 1D-1V simulations, a SCL and inverse equilibrium are both possible in plasmas with the same upstream properties (e.g., same N and Te). However, maintaining a true SCL equilibrium requires no ionization or charge exchange collisions in the sheath, or else cold ion accumulation in the SCL's "dip" forces a transition to the inverse. This suggests that only a monotonic inverse type sheath potential should exist at any plasma-facing surface with strong emission, whether be a divertor plate, emissive probe, dust grain, Hall thruster channel wall, sunlit object in space, etc. Nevertheless, SCL sheaths might still be possible if the ions in the dip can escape. Our simulations demonstrate ways in which SCL and inverse regimes might be distinguished experimentally based on large-scale presheath effects, without having to probe inside the sheath.

Ionization of pyridine: Interplay of orbital relaxation and electron correlation.

PubMed

Trofimov, A B; Holland, D M P; Powis, I; Menzies, R C; Potts, A W; Karlsson, L; Gromov, E V; Badsyuk, I L; Schirmer, J

2017-06-28

The valence shell ionization spectrum of pyridine was studied using the third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green's function and the outer-valence Green's function method. The results were used to interpret angle resolved photoelectron spectra recorded with synchrotron radiation in the photon energy range of 17-120 eV. The lowest four states of the pyridine radical cation, namely, 2 A 2 (1a 2 -1 ), 2 A 1 (7a 1 -1 ), 2 B 1 (2b 1 -1 ), and 2 B 2 (5b 2 -1 ), were studied in detail using various high-level electronic structure calculation methods. The vertical ionization energies were established using the equation-of-motion coupled-cluster approach with single, double, and triple excitations (EOM-IP-CCSDT) and the complete basis set extrapolation technique. Further interpretation of the electronic structure results was accomplished using Dyson orbitals, electron density difference plots, and a second-order perturbation theory treatment for the relaxation energy. Strong orbital relaxation and electron correlation effects were shown to accompany ionization of the 7a 1 orbital, which formally represents the nonbonding σ-type nitrogen lone-pair (nσ) orbital. The theoretical work establishes the important roles of the π-system (π-π* excitations) in the screening of the nσ-hole and of the relaxation of the molecular orbitals in the formation of the 7a 1 (nσ) -1 state. Equilibrium geometric parameters were computed using the MP2 (second-order Møller-Plesset perturbation theory) and CCSD methods, and the harmonic vibrational frequencies were obtained at the MP2 level of theory for the lowest three cation states. The results were used to estimate the adiabatic 0-0 ionization energies, which were then compared to the available experimental and theoretical data. Photoelectron anisotropy parameters and photoionization partial cross sections, derived from the experimental spectra, were compared to predictions obtained

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.

Surface-dependent chemical equilibrium constants and capacitances for bare and 3-cyanopropyldimethylchlorosilane coated silica nanochannels.

PubMed

Andersen, Mathias Bækbo; Frey, Jared; Pennathur, Sumita; Bruus, Henrik

2011-01-01

We present a combined theoretical and experimental analysis of the solid-liquid interface of fused-silica nanofabricated channels with and without a hydrophilic 3-cyanopropyldimethylchlorosilane (cyanosilane) coating. We develop a model that relaxes the assumption that the surface parameters C(1), C(2), and pK(+) are constant and independent of surface composition. Our theoretical model consists of three parts: (i) a chemical equilibrium model of the bare or coated wall, (ii) a chemical equilibrium model of the buffered bulk electrolyte, and (iii) a self-consistent Gouy-Chapman-Stern triple-layer model of the electrochemical double layer coupling these two equilibrium models. To validate our model, we used both pH-sensitive dye-based capillary filling experiments as well as electro-osmotic current-monitoring measurements. Using our model we predict the dependence of ζ potential, surface charge density, and capillary filling length ratio on ionic strength for different surface compositions, which can be difficult to achieve otherwise. Copyright © 2010 Elsevier Inc. All rights reserved.

Molecular clumps photoevaporation in ionized regions

NASA Astrophysics Data System (ADS)

Decataldo, D.; Ferrara, A.; Pallottini, A.; Gallerani, S.; Vallini, L.

2017-11-01

We study the photoevaporation of molecular clumps exposed to a UV radiation field including hydrogen-ionizing photons (hν > 13.6 eV) produced by massive stars or quasars. We follow the propagation and collision of shock waves inside clumps and take into account self-shielding effects, determining the evolution of clump size and density with time. The structure of the ionization-photodissociation region is obtained for different initial clump masses (M = 0.01-104 M⊙) and impinging fluxes (G0 = 102-105 in units of the Habing flux). The cases of molecular clumps engulfed in the H II region of an OB star and clumps carried within quasar outflows are treated separately. We find that the clump undergoes in both cases an initial shock-contraction phase and a following expansion phase, which lets the radiation penetrate in until the clump is completely evaporated. Typical evaporation time-scales are ≃0.01 Myr in the stellar case and 0.1 Myr in the quasar case, where the clump mass is 0.1 M⊙ and 103 M⊙, respectively. We find that clump lifetimes in quasar outflows are compatible with their observed extension, suggesting that photoevaporation is the main mechanism regulating the size of molecular outflows.

The Two-Phase, Two-Velocity Ionized Absorber in the Seyfert 1 Galaxy NGC 5548

NASA Astrophysics Data System (ADS)

Andrade-Velázquez, Mercedes; Krongold, Yair; Elvis, Martin; Nicastro, Fabrizio; Brickhouse, Nancy; Binette, Luc; Mathur, Smita; Jiménez-Bailón, Elena

2010-03-01

We present an analysis of X-ray high-quality grating spectra of the Seyfert 1 galaxy NGC 5548 using archival Chandra-High Energy Transmission Grating Spectrometer and Low Energy Transmission Grating Spectrometer observations for a total exposure time of 800 ks. The continuum emission (between 0.2 keV and 8 keV) is well represented by a power law (Γ = 1.6) plus a blackbody component (kT = 0.1 keV). We find that the well-known X-ray warm absorber (WA) in this source consists of two different outflow velocity systems. One absorbing system has a velocity of -1110 ± 150 km s-1 and the other of -490 ± 150 km s-1. Recognizing the presence of these kinematically distinct components allows each system to be fitted independently, each with two absorption components with different ionization levels. The high-velocity system consists of two components, one with a temperature of 2.7 ± 0.6 × 106 K, log U = 1.23, and another with a temperature of 5.8 ± 1.0 × 105 K, log U = 0.67. The high-velocity, high-ionization component produces absorption by charge states Fe XXI-XXIV, while the high-velocity, low-ionization component produces absorption by Ne IX-X, Fe XVII-XX, and O VII-VIII. The low-velocity system also required two absorbing components, one with a temperature of 5.8 ± 0.8 × 105 K, log U = 0.67, producing absorption by Ne IX-X, Fe XVII-XX, and O VII-VIII, and the other with a lower temperature of 3.5 ± 0.35 × 104 K and a lower ionization of log U = -0.49, producing absorption by O VI-VII and the Fe VII-XII M-shell Unresolved Transitions Array. Once these components are considered, the data do not require any further absorbers. In particular, a model consisting of a continuous radial range of ionization structures (as suggested by a previous analysis) is not required. The two absorbing components in each velocity system are in pressure equilibrium with each other. This suggests that each velocity system consists of a multi-phase medium. This is the first time that

Electron Impact K-shell Ionization of Atomic Targets

NASA Astrophysics Data System (ADS)

Saha, Bidhan; Basak, Arun K.; Alfaz Uddin, M.; Patoary, A. A. R.

2008-05-01

In spite of considerable progress -both theoretically and experimentally- recently in evaluating accurate K-shell ionization cross sections that play a decisive role for quantitative analyses using (i) electron probe microanalysis, (ii) Auger electron spectroscopy and (iii) electron energy loss spectra, attempts are still continuing to search for a model that can easily generate reliable cross sections for a wide range of energies and for various targets needed for plasma modeling code We report few modifications of the widely used binary encounter approximation (BEA) [1,2] and have tested by evaluating the electron impact K-shell ionization of few neutral targets at various projectile energies. Details will be presented at the meeting. [1] M. Gryziniski, Phys. Rev. A 138, 336 (1965); [2] L. Vriens, Proc. Phys. Soc. (London) 89, 13, (1966). [3M. A. Uddin , A. K. F. Haque, M. M. Billah, A. K. Basak, K, R, Karim and B. C. Saha, ,Phys. Rev. A 71,032715 (2005); [4] M. A. Uddin, A. K. Basak, and B. C. Saha, Int. J. Quan. Chem 100, 184 (2004).

PROM7: 1D modeler of solar filaments or prominences

NASA Astrophysics Data System (ADS)

Gouttebroze, P.

2018-05-01

PROM7 is an update of PROM4 (ascl:1306.004) and computes simple models of solar prominences and filaments using Partial Radiative Distribution (PRD). The models consist of plane-parallel slabs standing vertically above the solar surface. Each model is defined by 5 parameters: temperature, density, geometrical thickness, microturbulent velocity and height above the solar surface. It solves the equations of radiative transfer, statistical equilibrium, ionization and pressure equilibria, and computes electron and hydrogen level population and hydrogen line profiles. Moreover, the code treats calcium atom which is reduced to 3 ionization states (Ca I, Ca II, CA III). Ca II ion has 5 levels which are useful for computing 2 resonance lines (H and K) and infrared triplet (to 8500 A).

Suzaku spectra of a Type-II supernova remnant, Kes 79

NASA Astrophysics Data System (ADS)

Sato, Tamotsu; Koyama, Katsuji; Lee, Shiu-Hang; Takahashi, Tadayuki

2016-06-01

This paper reports on results of a Suzaku observation of the supernova remnant (SNR) Kes 79 (G33.6+0.1). The X-ray spectrum is best fitted by a two-temperature model: a non-equilibrium ionization (NEI) plasma and a collisional ionization equilibrium (CIE) plasma. The NEI plasma is spatially confined within the inner radio shell with kT ˜ 0.8 keV, while the CIE plasma is found in more spatially extended regions associated with the outer radio shell with kT ˜0.2 keV and solar abundance. Therefore, the NEI plasma is attributable to the SN ejecta, and the CIE plasma is the forward shocked interstellar medium. In the NEI plasma, we discovered K-shell lines of Al, Ar, and Ca for the first time. The abundance pattern and estimated mass of the ejecta are consistent with a core-collapse supernova explosion of a ˜30-40M⊙ progenitor star. An Fe line with a center energy of ˜6.4 keV is also found in the southeast (SE) portion of the SNR, a close peripheral region around dense molecular clouds. One possibility is that the line is associated with the ejecta. However, the centroid energy of ˜6.4 keV and the spatial distribution of enhancement near the SE peripheral do not favor this scenario. Since the ˜6.4 keV emitting region coincides with the molecular clouds, we propose another possibility, that the Fe line is due to K-shell ionization of neutral Fe by the interaction of locally accelerated protons (LECRp) with the surrounding molecular cloud. Both of these possibilities, heated ejecta or LECRp origin, are discussed based on the observational facts.

First Detections of the [N II] 122 micron Line at High Redshift: Demonstrating the Utility of the Line for Studying Galaxies in the Early Universe

NASA Technical Reports Server (NTRS)

Ferkinhoff, Carl; Brisbin, Drew; Nikola, Thomas; Parshley, Stephen C.; Stacey, Gordon J.; Phillips, Thomas G.; Falgarone, Edith; Benford, Dominic J.; Staguhn, Johannes G.; Tucker, Carol E.

2011-01-01

We report the first detections of the [N II] 122 micron line from a high-redshift galaxy. The line was strongly (>6(sigma)) detected from SMMJ02399-0136, and H1413 + 117 (the Cloverleaf QSO) using the Redshift (zeta) and Early Universe Spectrometer on the Caltech Submillimeter Observatory. The lines from both sources are quite bright with line to far-infrared (FIR) continuum luminosity ratios that are approx.7.0 x 10(exp -4) (Cloverleaf) and 2.1 x 10(exo -3) (SMMJ02399). With ratios 2-10 times larger than the average value for nearby galaxies, neither source exhibits the line to continuum deficits seen in nearby sources. The line strengths also indicate large ionized gas fractions, approx.8%-17% of the molecUlar gas mass. The [O III]/[N II] line ratio is very sensitive to the effective temperature of ionizing stars and the ionization parameter for emission arising in the narrow-line region (NLR) of an active galactic nucleus (AGN). Using Our previous detection of the [O III] 88 micron line, the [O III]/[N II]line ratio for SMMJ02399-0136 indicates that the dominant source of the line emission is either stellar H II regions ionized by O9.5 stars, or the NLR of the AGN with ionization parameter log(U) = -3.3 to -4.0. A composite system, where 30%-50% of the FIR lines arise in the NLR also matches the data. The Cloverleaf is best modeled by a superposition of approx.200 M82-like starbursts accounting for all of the FIR emission and 43% of the [N II]line. The remainder may come from the NLR. This war!< demonstrates the utility of the [N II] and [O III] lines in constraining properties of the ionized medium.

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.

Biosorption of Fe(II) and Mn(II) Ions from Aqueous Solution by Rice Husk Ash

PubMed Central

Zhao, Jiaying; Jiang, Zhao; Shan, Dexin; Lu, Yan

2014-01-01

Rice husk ash (RHA), an agricultural waste, was used as biosorbent for the removal of Iron(II) and Manganese(II) ions from aqueous solutions. The structural and morphological characteristics of RHA and its elemental compositions before and after adsorption of Fe(II) and Mn(II) were determined by scanning electron microscopic (SEM) and X-ray fluorescence (XRF) analyses. Batch experiments were carried out to determine the influence of initial pH, contact time, adsorbent dosage, and initial concentration on the removal of Fe(II) and Mn(II) ions. Langmuir, Freundlich, and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherm of the metal ions by RHA. The correlation coefficient (R 2) of Langmuir and Freundlich isotherm models equals 0.995 and 0.901 for Fe(II), 0.9862 and 0.8924 for Mn(II), respectively, so the Langmuir model fitted the equilibrium data better than the Freundlich isotherm model. The mean free energy values evaluated from the D-R model indicated that the biosorption of Fe(II) and Mn(II) onto RHA was physical in nature. Experimental data also showed that the biosorption processes of both metal ions complied with the pseudo-second-order kinetics. PMID:24982918

Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

2015-04-15

The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it ismore » found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.« less

Depolarizing collisions with hydrogen: Neutral and singly ionized alkaline earths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manso Sainz, Rafael; Ramos, Andrés Asensio; Bueno, Javier Trujillo

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 ≤ 10,000more » 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.« less

The Global Evolution of Giant Molecular Clouds. I. Model Formulation and Quasi-Equilibrium Behavior

NASA Astrophysics Data System (ADS)

Krumholz, Mark R.; Matzner, Christopher D.; McKee, Christopher F.

2006-12-01

We present semianalytic dynamical models for giant molecular clouds evolving under the influence of H II regions launched by newborn star clusters. In contrast to previous work, we neither assume that clouds are in virial or energetic equilibrium, nor do we ignore the effects of star formation feedback. The clouds, which we treat as spherical, can expand and contract homologously. Photoionization drives mass ejection; the recoil of cloud material both stirs turbulent motions and leads to an effective confining pressure. The balance between these effects and the decay of turbulent motions through isothermal shocks determines clouds' dynamical and energetic evolution. We find that for realistic values of the rates of turbulent dissipation, photoevaporation, and energy injection by H II regions, the massive clouds where most molecular gas in the Galaxy resides live for a few crossing times, in good agreement with recent observational estimates that large clouds in Local Group galaxies survive roughly 20-30 Myr. During this time clouds remain close to equilibrium, with virial parameters of 1-3 and column densities near 1022 H atoms cm-2, also in agreement with observed cloud properties. Over their lives they convert 5%-10% of their mass into stars, after which point most clouds are destroyed when a large H II region unbinds them. In contrast, small clouds like those found in the solar neighborhood only survive ~1 crossing time before being destroyed.

Kinematics of the Horsehead Nebula and IC 434 Ionization Front in CO and C+

NASA Astrophysics Data System (ADS)

Bally, John; Chambers, Ed; Guzman, Viviana; Keto, Eric; Mookerjea, Bhaswati; Sandell, Goran; Stanke, Thomas; Zinnecker, Hans

2018-02-01

Stratospheric Observatory for Infrared Astronomy [C II] 157 μm, APEX 860 μm J = 3‑2 CO, and archival James Clerk Maxwell Telescope J = 2‑1 CO and 13CO observations of the Horsehead Nebula are presented. The photon-dominated region (PDR) between the Orion B molecular cloud and the adjacent IC 434 H II region is used to study the radial velocity structure of the region and the feedback impacts of UV radiation. Multiple west-facing cloud edges are superimposed along the line of sight with radial velocities that differ by a few kilometers per second. The Horsehead lies in the foreground blueshifted portion of the Orion B molecular cloud and is predominantly illuminated from the rear. The mean H2 density of the Horsehead, ∼ 6× {10}3 {{cm}}-3, results in a spatially thin PDR where the photoablation flow has compressed the western cloud edge to an H2 density of (2{--}6)× {10}4 {{cm}}-3. The associated [C II] 157 μm layer has a width L < 0.05 pc. The background parts of the Orion B cloud in the imaged field consist of a clumpy medium surrounded by molecular gas with H2 densities lower by one to two orders of magnitude. Along the straight part of the IC 434 ionization front, the PDR layer probed by [C II] 157 μm emission is much thicker with L ∼ 0.5 pc. A possible model for the formation and evolution of this edge-on ionization front and PDR is presented. The [C II] data were independently analyzed and published by Pabst et al.

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.

Non-Equilibrium Phenomena in High Power Beam Materials Processing

NASA Astrophysics Data System (ADS)

Tosto, Sebastiano

2004-03-01

The paper concerns some aspects of non-equilibrium materials processing with high power beams. Three examples show that the formation of metastable phases plays a crucial role to understand the effects of beam-matter interaction: (i) modeling of pulsed laser induced thermal sputtering; (ii) formation of metastable phases during solidification of the melt pool; (i) possibility of carrying out heat treatments by low power irradiation ``in situ''. The case (i) deals with surface evaporation and boiling processes in presence of superheating. A computer simulation model of thermal sputtering by vapor bubble nucleation in molten phase shows that non-equilibrium processing enables the rise of large surface temperature gradients in the boiling layer and the possibility of sub-surface temperature maximum. The case (ii) concerns the heterogeneous welding of Cu and AISI 304L stainless steel plates by electron beam irradiation. Microstructural investigation of the molten zone has shown that dwell times of the order of 10-1-10-3 s, consistent with moderate cooling rates in the range 10^3-10^5 K/s, entail the formation of metastable Cu-Fe phases. The case (iii) concerns electron beam welding and post-welding treatments of 2219 Al base alloy. Electron microscopy and positron annihilation have explained why post-weld heat transients induced by low power irradiation of specimens in the as welded condition enable ageing effects usually expected after some hours of treatment in furnace. The problem of microstructural instability is particularly significant for a correct design of components manufactured with high power beam technologies and subjected to severe acceptance standards to ensure advanced performances during service life.

Fluctuations of the intergalactic ionization field at redshift z ~ 2

NASA Astrophysics Data System (ADS)

Agafonova, I. I.; Levshakov, S. A.; Reimers, D.; Hagen, H.-J.; Tytler, D.

2013-04-01

Aims: To probe the spectral energy distribution (SED) of the ionizing background radiation at z ≲ 2 and to specify the sources contributing to the intergalactic radiation field. Methods: The spectrum of a bright quasar HS 1103+6416 (zem = 2.19) contains five successive metal-line absorption systems at zabs = 1.1923, 1.7193, 1.8873, 1.8916, and 1.9410. The systems are optically thin and reveal multiple lines of different metal ions with the ionization potentials lying in the extreme ultraviolet (EUV) range (~1 Ryd to ~0.2 keV). For each system, the EUV SED of the underlying ionization field is reconstructed by means of a special technique developed for solving the inverse problem in spectroscopy. For the zabs = 1.8916 system, the analysis also involves the He I resonance lines of the Lyman series and the He iλ504 Å continuum, which are seen for the first time in any cosmic object except the Sun. Results: From one system to another, the SED of the ionizing continuum changes significantly, indicating that the intergalactic ionization field at z ≲ 2 fluctuates at the scale of at least Δz ~ 0.004. This is consistent with Δz ≲ 0.01 estimated from He II and H I Lyman-α forest measurements between the redshifts 2 and 3. A radiation intensity break by approximately an order of magnitude at E = 4 Ryd in SEDs restored for the zabs = 1.1923, 1.8873, 1.8916, and 1.9410 systems points to quasars as the main sources of the ionizing radiation. The SED variability is mostly caused by a small number of objects contributing at any given redshift to the ionizing background; at scales Δz ≳ 0.05, the influence of local radiation sources becomes significant. A remarkable SED restored for the zabs = 1.7193 system, with a sharp break shifted to E ~ 3.5 Ryd and a subsequent intensity decrease by ~1.5 dex, indicates a source with comparable inputs of both hard (active galactic nuclei, AGN) and soft (stellar) radiation components. Such a continuum can be emitted by (ultra

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…

Ionized Gas Kinematics at High Resolution. IV. Star Formation and a Rotating Core in the Medusa (NGC 4194)

NASA Technical Reports Server (NTRS)

Beck, Sara C.; Lacy, John; Neff, Susan Gale; Turner, Jean; Greathouse, Thomas; Neff, Susan

2014-01-01

NGC 4194 is a post-merger starburst known as The Medusa for its striking tidal features.We present here a detailed study of the structure and kinematics of ionized gas in the central 0.65 kpc of the Medusa. The data include radio continuum maps with resolution up to 0".18 (35 pc) and a 12.8 micron [Ne II] data cube with spectral resolution approx. 4 km/s: the first high-resolution, extinction-free observations of this remarkable object. The ionized gas has the kinematic signature of a core in solid-body rotation. The starburst has formed a complex of bright compact H II regions, probably excited by deeply embedded super star clusters, but none of these sources is a convincing candidate for a Galactic nucleus. The nuclei of the merger partners that created the Medusa have not yet been identified.

Effects of ionization and ion loss on dust ion- acoustic solitary waves in a collisional dusty plasma with suprathermal electrons

NASA Astrophysics Data System (ADS)

Tribeche, Mouloud; Mayout, Saliha

2016-07-01

The combined effects of ionization, ion loss and electron suprathermality on dust ion- acoustic solitary waves in a collisional dusty plasma are examined. Carrying out a small but finite amplitude analysis, a damped Korteweg- de Vries (dK-- dV) equation is derived. The damping term decreases with the increase of the spectral index and saturates for Maxwellian electrons. Choosing typical plasma parameters, the analytical approximate solution of the dK- dV equation is numerically analyzed. We first neglect the ionization and ion loss effects and account only for collisions to estimate the relative importance between these damping terms which can act concurrently. Interestingly, we found that as the suprathermal character of the electrons becomes important, the strength of the collisions related dissipation becomes more important and causes the DIA solitary wave amplitude to decay more rapidly. Moreover, the collisional damping may largely prevail over the ionization and ion loss related damping. The latter becomes more effective as the electrons evolve far away from their thermal equilibrium. Our results complement and provide new insights into previously published work on this problem.

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.

Atmospheric Pressure Ionization Using a High Voltage Target Compared to Electrospray Ionization.

PubMed

Lubin, Arnaud; Bajic, Steve; Cabooter, Deirdre; Augustijns, Patrick; Cuyckens, Filip

2017-02-01

A new atmospheric pressure ionization (API) source, viz. UniSpray, was evaluated for mass spectrometry (MS) analysis of pharmaceutical compounds by head-to-head comparison with electrospray ionization (ESI) on the same high-resolution MS system. The atmospheric pressure ionization source is composed of a grounded nebulizer spraying onto a high voltage, cylindrical stainless steel target. Molecules are ionized in a similar fashion to electrospray ionization, predominantly producing protonated or deprotonated species. Adduct formation (e.g., proton and sodium adducts) and in-source fragmentation is shown to be almost identical between the two sources. The performance of the new API source was compared with electrospray by infusion of a mix of 22 pharmaceutical compounds with a wide variety of functional groups and physico-chemical properties (molecular weight, logP, and pKa) in more than 100 different conditions (mobile phase strength, solvents, pH, and flow rate). The new API source shows an intensity gain of a factor 2.2 compared with ESI considering all conditions on all compounds tested. Finally, some hypotheses on the ionization mechanism, similarities, and differences with ESI, are discussed. Graphical Abstract ᅟ.

Atmospheric Pressure Ionization Using a High Voltage Target Compared to Electrospray Ionization

NASA Astrophysics Data System (ADS)

Lubin, Arnaud; Bajic, Steve; Cabooter, Deirdre; Augustijns, Patrick; Cuyckens, Filip

2017-02-01

A new atmospheric pressure ionization (API) source, viz. UniSpray, was evaluated for mass spectrometry (MS) analysis of pharmaceutical compounds by head-to-head comparison with electrospray ionization (ESI) on the same high-resolution MS system. The atmospheric pressure ionization source is composed of a grounded nebulizer spraying onto a high voltage, cylindrical stainless steel target. Molecules are ionized in a similar fashion to electrospray ionization, predominantly producing protonated or deprotonated species. Adduct formation (e.g., proton and sodium adducts) and in-source fragmentation is shown to be almost identical between the two sources. The performance of the new API source was compared with electrospray by infusion of a mix of 22 pharmaceutical compounds with a wide variety of functional groups and physico-chemical properties (molecular weight, logP, and pKa) in more than 100 different conditions (mobile phase strength, solvents, pH, and flow rate). The new API source shows an intensity gain of a factor 2.2 compared with ESI considering all conditions on all compounds tested. Finally, some hypotheses on the ionization mechanism, similarities, and differences with ESI, are discussed.

From Wang-Chen System with Only One Stable Equilibrium to a New Chaotic System Without Equilibrium

NASA Astrophysics Data System (ADS)

Pham, Viet-Thanh; Wang, Xiong; Jafari, Sajad; Volos, Christos; Kapitaniak, Tomasz

2017-06-01

Wang-Chen system with only one stable equilibrium as well as the coexistence of hidden attractors has attracted increasing interest due to its striking features. In this work, the effect of state feedback on Wang-Chen system is investigated by introducing a further state variable. It is worth noting that a new chaotic system without equilibrium is obtained. We believe that the system is an interesting example to illustrate the conversion of hidden attractors with one stable equilibrium to hidden attractors without equilibrium.

On star formation in stellar systems. I - Photoionization effects in protoglobular clusters

NASA Technical Reports Server (NTRS)

Tenorio-Tagle, G.; Bodenheimer, P.; Lin, D. N. C.; Noriega-Crespo, A.

1986-01-01

The progressive ionization and subsequent dynamical evolution of nonhomogeneously distributed low-metal-abundance diffuse gas after star formation in globular clusters are investigated analytically, taking the gravitational acceleration due to the stars into account. The basic equations are derived; the underlying assumptions, input parameters, and solution methods are explained; and numerical results for three standard cases (ionization during star formation, ionization during expansion, and evolution resulting in a stable H II region at its equilibrium Stromgren radius) are presented in graphs and characterized in detail. The time scale of residual-gas loss in typical clusters is found to be about the same as the lifetime of a massive star on the main sequence.

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.

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.

Magnetic fields, stellar feedback, and the geometry of H II regions

NASA Astrophysics Data System (ADS)

Ferland, Gary J.

2009-04-01

Magnetic pressure has long been known to dominate over gas pressure in atomic and molecular regions of the interstellar medium. Here I review several recent observational studies of the relationships between the H+, H0 and H2 regions in M42 (the Orion complex) and M17. A simple picture results. When stars form they push back surrounding material, mainly through the outward momentum of starlight acting on grains, and field lines are dragged with the gas due to flux freezing. The magnetic field is compressed and the magnetic pressure increases until it is able to resist further expansion and the system comes into approximate magnetostatic equilibrium. Magnetic field lines can be preferentially aligned perpendicular to the long axis of quiescent cloud before stars form. After star formation and pushback occurs ionized gas will be constrained to flow along field lines and escape from the system along directions perpendicular to the long axis. The magnetic field may play other roles in the physics of the H II region and associated PDR. Cosmic rays may be enhanced along with the field and provide additional heating of atomic and molecular material. Wave motions may be associated with the field and contribute a component of turbulence to observed line profiles.

Atmospheric Ionization Measurements

NASA Astrophysics Data System (ADS)

Slack, Thomas; Mayes, Riley

2015-04-01

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

A HERSCHEL SURVEY OF THE [N II] 205 {mu}m LINE IN LOCAL LUMINOUS INFRARED GALAXIES: THE [N II] 205 {mu}m EMISSION AS A STAR FORMATION RATE INDICATOR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao Yinghe; Gao Yu; Lu, Nanyao

2013-03-01

We present, for the first time, a statistical study of [N II] 205 {mu}m line emission for a large sample of local luminous infrared galaxies using Herschel Spectral and Photometric Imaging Receiver Fourier Transform Spectrometer (SPIRE FTS) data. For our sample of galaxies, we investigate the correlation between the [N II] luminosity (L{sub [N{sub II]}}) and the total infrared luminosity (L{sub IR}), as well as the dependence of L{sub [N{sub II]}}/L{sub IR} ratio on L{sub IR}, far-infrared colors (IRAS f{sub 60}/f{sub 100}), and the [O III] 88 {mu}m to [N II] luminosity ratio. We find that L{sub [N{sub II]}} correlatesmore » almost linearly with L{sub IR} for non-active galactic nucleus galaxies (all having L{sub IR} < 10{sup 12} L{sub Sun }) in our sample, which implies that L{sub [N{sub II]}} can serve as a star formation rate tracer which is particularly useful for high-redshift galaxies that will be observed with forthcoming submillimeter spectroscopic facilities such as the Atacama Large Millimeter/submillimeter Array. Our analysis shows that the deviation from the mean L{sub [N{sub II]}}-L{sub IR} relation correlates with tracers of the ionization parameter, which suggests that the scatter in this relation is mainly due to the variations in the hardness, and/or ionization parameter, of the ambient galactic UV field among the sources in our sample.« less

Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

NASA Astrophysics Data System (ADS)

Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

2015-12-01

Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

A New Test of Copper and Zinc Abundances in Late-type Stars Using Ultraviolet Cu II and Zn II Lines

NASA Astrophysics Data System (ADS)

Roederer, Ian U.; Barklem, Paul S.

2018-04-01

We present new abundances derived from Cu I, Cu II, Zn I, and Zn II lines in six warm (5766 ≤ {T}eff} ≤ 6427 K), metal-poor (‑2.50 ≤ [Fe/H] ≤ ‑0.95) dwarf and subgiant (3.64 ≤ log g ≤ 4.44) stars. These abundances are derived from archival high-resolution ultraviolet spectra from the Space Telescope Imaging Spectrograph on board the Hubble Space Telescope and ground-based optical spectra from several observatories. Ionized Cu and Zn are the majority species, and abundances derived from Cu II and Zn II lines should be largely insensitive to departures from local thermodynamic equilibrium (LTE). We find good agreement between the [Zn/H] ratios derived separately from Zn I and Zn II lines, suggesting that departures from LTE are, at most, minimal (≲0.1 dex). We find that the [Cu/H] ratios derived from Cu II lines are 0.36 ± 0.06 dex larger than those derived from Cu I lines in the most metal-poor stars ([Fe/H] < ‑1.8), suggesting that LTE underestimates the Cu abundance derived from Cu I lines. The deviations decrease in more metal-rich stars. Our results validate previous theoretical non-LTE calculations for both Cu and Zn, supporting earlier conclusions that the enhancement of [Zn/Fe] in metal-poor stars is legitimate, and the deficiency of [Cu/Fe] in metal-poor stars may not be as large as previously thought. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Science Institute (STScI), which is operated by the Association of Universities for Research in Astronomy, Inc. (AURA) under NASA contract NAS 5-26555. This work is supported by NASA through grant number AR-15051 and makes use of data from programs GO-7348, GO-8197, GO-9804, GO-14161, and GO-14672. This research has also made use of the Keck Observatory Archive (KOA), which is operated by the W.M. Keck Observatory and the NASA Exoplanet Science Institute (NExScI), under contract with NASA. These data are associated

Copernicus observations of distant unreddened stars. II - Line of sight to HD 50896

NASA Technical Reports Server (NTRS)

Shull, J. M.

1977-01-01

Copernicus UV data on interstellar lines toward HD 50896, a Wolf-Rayet star, are analyzed to study abundances and physical conditions in the line of sight. About 20% of the low-velocity neutral gas is contained in a dense cloud with 10% to 50% of its hydrogen in molecular form; the atomic abundances show typical interstellar depletions. The low-velocity H II gas may be associated with the high ionizing flux of the Wolf-Rayet star or with H II regions along the line of sight. Si III exhibits strong absorption shortward of the low-velocity H II gas, characteristic of a collisionally ionized component at 30,000 to 80,000 K; the possible connections with an unobserved supernova remnant or stellar mass loss are discussed. High-velocity features at 78 and -96 km/sec, in which Fe and Si are near their cosmic abundances, are also indicative of strong shocks.

Behavior of human immunoglobulin G adsorption onto immobilized Cu(II) affinity hollow-fiber membranes.

PubMed

Borsoi-Ribeiro, Mariana; Bresolin, Igor Tadeu Lazzarotto; Vijayalakshmi, Mookambeswaran; Bueno, Sônia Maria Alves

2013-10-01

Iminodiacetic acid (IDA) and tris(2-aminoethyl)amine (TREN) chelating ligands were immobilized on poly(ethylene vinyl alcohol) (PEVA) hollow-fiber membranes after activation with epichlorohydrin or butanediol diglycidyl ether (bisoxirane). The affinity membranes complexed with Cu(II) were evaluated for adsorption of human immunoglobulin G (IgG). The effects of matrix activation and buffer system on adsorption of IgG were studied. Isotherms of batch IgG adsorption onto finely cut membranes showed that neither of the chelates, IDA-Cu(II) or TREN-Cu(II), had a Langmuirean behavior with negative cooperativity for IgG binding. A comparison of equilibrium and dynamic maximum capacities showed that the dynamic capacity for a mini-cartridge in a cross-flow filtration mode (52.5 and 298.4 mg g(-1) dry weight for PEVA-TREN-Cu(II) and PEVA-IDA-Cu(II), respectively) was somewhat higher than the equilibrium capacity (9.2 and 73.3 mg g(-1) dry weight for PEVA-TREN-Cu(II) and PEVA-IDA-Cu(II), respectively). When mini-cartridges were used, the dynamic adsorption capacity of IDA-Cu(II) was the same for both mini-cartridge and agarose gel. Copyright © 2013 John Wiley & Sons, Ltd.

The early evolution of giant H II regions formed by supernova explosions

NASA Technical Reports Server (NTRS)

Kafatos, M. C.

1971-01-01

The evolution of a giant H II region, which cools after an initial ionization, is discussed. The discussion is applied to the Vela X and Tycho supernovae. Other giant H II regions might not be as easily detectable as the Vela X region. The Tycho region may be just detectable in the O(II) or O(III) optical lines or as a hole in the 21-cm emission line profiles, as is suggested in the data. These giant H II regions last appreciably longer than the continuum radio sources within them.

Roles of Tunneling, Multiphoton Ionization, and Cascade Ionization for Femtosecond Optical Breakdown in Aqueous Media

DTIC Science & Technology

2009-09-01

observed in the wavelength dependence of femtosecond breakdown would indicate a significant role of multiphoton ionization compared to tunneling ...relevant for femtosecond breakdown, and tunnel ionization featuring no Ith() dependence becomes ever more with decreasing pulse duration. However, it...c) Figure 4.22 Wavelength dependence of ionization probabilities by a) avalanche, b) multiphoton, and c) tunneling ionization. 1

Ionization of the group 3 metals La, Y and Sc in H2---O2---Ar flames

NASA Astrophysics Data System (ADS)

Patterson, Patricia M.; Goodings, John M.

1995-09-01

Four pairs of premixed, fuel-rich/fuel-lean (FR/FL; equivalence ratio [Phi] = 1.5/0.75). H2---O2---Ar flames at four temperatures in the range 1900-2425 K, all at atmospheric pressure, were doped with about 10-6 mole fraction of the group 3 metals La, Y and Sc using atomizer techniques. The metals produce solid particles in the flames and gaseous metallic species. The latter include free metallic atoms, A, near the flame reaction zone, but only the monoxide AO and the oxide-hydroxide OAOH further downstream at equilibrium; the [OAOH]/[AO] ratio varies in FR/FL flames. Metallic ions (<1% of the total metal) were observed by sampling a given flame along its axis through a nozzle into a mass spectrometer. All of the observed ions can be represented by an oxide ion series AO+·nH2O (n = 0-3 or more) although their actual structures may be different; e.g. A(OH)2+ for n = 1, interpreted as protonated OAOH. A major objective was to ascertain the ionization mechanism, principally that of La. The ionization appears to receive an initial boost from the exothermic chemi-ionization reaction of A with atomic O to produce AO+; further downstream, the ionization level is sustained by the thermal (collisional) ionization of AO to produce AO+ and/or the chemi-ionization of OAOH with H to produce A(OH)2+. The ions AO+, A(OH)2+ and higher hydrates are all rapidly equilibrated by three-body association reactions with water. Ions are lost by dissociative electron-ion recombination of A(OH)2+ and possibly higher hydrates. The chemical ionization of the metallic species by H3O+ was investigated by adding a small quantity of CH4 to the flames. The ion chemistry is discussed in detail. An estimate of the bond dissociation energy D0°(OLa---OH) = 408 ± 40 kJ mol-1 (4.23 ± 0.41 eV) was obtained.

Distribution of Si II in the Galactic center

NASA Technical Reports Server (NTRS)

Graf, P.; Herter, T.; Gull, G. E.; Houck, J. R.

1988-01-01

A map of the Galactic center region in the forbidden Si II 34.8-micron line is presented. The line emission arises from within the photodissociation region (PDR) associated with the neutral gas ring surrounding an ionized gas core confined within 2 pc of the Galactic center. Si II is a useful probe of the inner regions of the ring since it is always optically thin. The Si II data, when analyzed in conjunction with O I, C II, and molecular measurements, outlines the transition region between the PDR and the surrounding molecular cloud. The Si II emission is found to extend beyond that of the O II into the neutral gas ring. Although the interpretation is not unique, the data are consistent with a constant gas-phase abundance of silicon within the inner part of the PDR while the gaseous silicon is depleted by molecule formation in the transition region.

SPQR II: A beam-plasma interaction experiment

NASA Astrophysics Data System (ADS)

Bimbot, R.; Della-Negra, S.; Gardès, D.; Rivet, M. F.; Fleurier, C.; Dumax, B.; Hoffman, D. H. H.; Weyrich, K.; Deutsch, C.; Maynard, G.

1986-01-01

SPQR II is an interaction experiment designed to probe energy -and charge-exchange of Cn+ ions at 2 MeV/a.m.u., flowing through a fully ionized plasma column of hydrogen with nℓ=1019 e-cm-2 at T=5 eV. One expects a factor of two enhanced stopping over the cold gas case.

H II regions as probes of galaxy evolution and the properties of massive stars

NASA Technical Reports Server (NTRS)

Garnett, Donald R.

1993-01-01

The use of H II regions as probes to study the chemical evolution of galaxies and the spectral properties of hot, massive stars is reviewed. The observable parameters for this task are the physical conditions, elemental abundances, and ionization balance in the ionized gas. Some outstanding uncertainties in the determination of these parameters and some approaches to remedy or circumvent the problems are discussed.

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…

Are two plasma equilibrium states possible when the emission coefficient exceeds unity?

DOE PAGES

Campanell, Michael D.; Umansky, M. V.

2017-02-28

Two floating sheath solutions with strong electron emission in planar geometry have been proposed, a “space-charge limited” (SCL) sheath and an “inverse” sheath. SCL and inverse models contain different assumptions about conditions outside the sheath (e.g., the velocity of ions entering the sheath). So it is not yet clear whether both sheaths are possible in practice, or only one. Here we treat the global presheath-sheath problem for a plasma produced volumetrically between two planar walls. We show that all equilibrium requirements (a) floating condition, (b) plasma shielding, and (c) presheath force balance, can indeed be satisfied in two different waysmore » when the emission coefficient γ > 1. There is one solution with SCL sheaths and one with inverse sheaths, each with sharply different presheath distributions. As we show for the first time in 1D-1V simulations, a SCL and inverse equilibrium are both possible in plasmas with the same upstream properties (e.g., same N and Te). However, maintaining a true SCL equilibrium requires no ionization or charge exchange collisions in the sheath, or else cold ion accumulation in the SCL's “dip” forces a transition to the inverse. This suggests that only a monotonic inverse type sheath potential should exist at any plasma-facing surface with strong emission, whether be a divertor plate, emissive probe, dust grain, Hall thruster channel wall, sunlit object in space, etc. Nevertheless, SCL sheaths might still be possible if the ions in the dip can escape. Finally, our simulations demonstrate ways in which SCL and inverse regimes might be distinguished experimentally based on large-scale presheath effects, without having to probe inside the sheath.« less

Evaluation of Sorption Mechanism of Pb (II) and Ni (II) onto Pea (Pisum sativum) Peels.

PubMed

Haq, Atta Ul; Saeed, Muhammad; Anjum, Salma; Bokhari, Tanveer Hussain; Usman, Muhammad; Tubbsum, Saiqa

2017-07-01

The present study was carried out to know the sorption mechanism of Pb (II) and Ni (II) in aqueous solution using pea peels under the influence of sorbent dose, pH, temperature, initial metal ion concentration and contact time. SEM and FTIR were used for characterization of pea peels. The study showed that solution pH affects sorption process and the optimum pH for Pb (II) was 6.0 while for that of Ni (II) was 7.0. Pseudo-second order kinetic model was found to be the most suitable one to explain the kinetic data not only due to high value of R 2 (>0.99) but also due to the closeness of the experimental sorption capacity values to that of calculated sorption capacity values of pseudo second order kinetic model. It can be seen from the results that Freundlich isotherm explains well the equilibrium data (R 2 >0.99). Sorption capacity of pea peels was 140.84 and 32.36 for Pb (II) and Ni (II) mg g -1 respectively. The positive value of ΔH° and negative values of ΔG° suggest that sorption of Pb (II) and Ni (II) onto pea peels is an endothermic and spontaneous process respectively.

Studying effects of non-equilibrium radiative transfer via HPC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holladay, Daniel

This report presents slides on Ph.D. Research Goals; Local Thermodynamic Equilibrium (LTE) Implications; Calculating an Opacity; Opacity: Pictographic Representation; Opacity: Pictographic Representation; Opacity: Pictographic Representation; Collisional Radiative Modeling; Radiative and Collisional Excitation; Photo and Electron Impact Ionization; Autoionization; The Rate Matrix; Example: Total Photoionization rate; The Rate Coefficients; inlinlte version 1.1; inlinlte: Verification; New capabilities: Rate Matrix – Flexibility; Memory Option Comparison; Improvements over previous DCA solver; Inter- and intra-node load balancing; Load Balance – Full Picture; Load Balance – Full Picture; Load Balance – Internode; Load Balance – Scaling; Description; Performance; xRAGE Simulation; Post-process @ 2hr; Post-process @ 4hr;more » Post-process @ 8hr; Takeaways; Performance for 1 realization; Motivation for QOI; Multigroup Er; Transport and NLTE large effects (1mm, 1keV); Transport large effect, NLTE lesser (1mm, 750eV); Blastwave Diagnostici – Description & Performance; Temperature Comparison; NLTE has effect on dynamics at wall; NLTE has lesser effect in the foam; Global Takeaways; The end.« less

Chemical Rescue of Enzymes: Proton Transfer in Mutants of Human Carbonic Anhydrase II

PubMed Central

Maupin, C. Mark; Castillo, Norberto; Taraphder, Srabani; Tu, Chingkuang; McKenna, Robert; Silverman, David N.; Voth, Gregory A.

2011-01-01

In human carbonic anhydrase II (HCA II) the mutation of position 64 from histidine to alanine (H64A) disrupts the rate limiting proton transfer (PT) event, resulting in a reduction of the catalytic activity of the enzyme as compared to the wild-type. Potential of mean force (PMF) calculations utilizing the multistate empirical valence bond (MS-EVB) methodology for H64A HCA II give a PT free energy barrier significantly higher than that found in the wild-type enzyme. This high barrier, determined in the absence of exogenous buffer and assuming no additional ionizable residues in the PT pathway, indicates the likelihood of alternate enzyme pathways that utilize either ionizable enzyme residues (self-rescue) and/or exogenous buffers (chemical rescue). It has been shown experimentally that the catalytic activity of H64A HCA II can be chemically rescued to near wild type levels by the addition of the exogenous buffer 4-methylimidazole (4MI). Crystallographic studies have identified two 4MI binding sites, yet site specific mutations intended to disrupt 4MI binding have demonstrated these sites to be non-productive. In the present work MS-EVB simulations show that binding of 4MI near Thr199 in the H64A HCA II mutant, a binding site determined by NMR spectroscopy, results in a viable chemical rescue pathway. Additional viable rescue pathways are also identified where 4MI acts as a proton transport intermediary from the active site to ionizable residues on the rim of the active site, revealing a probable mode of action for the chemical rescue pathway PMID:21452838

Local Nash equilibrium in social networks.

PubMed

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

2014-08-29

Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures.

Local Nash Equilibrium in Social Networks

NASA Astrophysics Data System (ADS)

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

2014-08-01

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.

The Kinetic Mechanism for Cytochrome P450 Metabolism of Type II Binding Compounds: Evidence Supporting Direct Reduction

PubMed Central

Pearson, Joshua; Dahal, Upendra P.; Rock, Daniel; Peng, Chi-Chi; Schenk, James O.; Joswig-Jones, Carolyn; Jones, Jeffrey P.

2011-01-01

The metabolic stability of a drug is an important property that should be optimized during drug design and development. Nitrogen incorporation is hypothesized to increase the stability by coordination of nitrogen to the heme iron of cytochrome P450, a binding mode that is referred to as type II binding. However, we noticed that the type II binding compound 1 has less metabolic stability at subsaturating conditions than a closely related type I binding compound 3. Three kinetic models will be presented for type II binder metabolism; 1) Dead-end type II binding, 2) a rapid equilibrium between type I and II binding modes before reduction, and 3) a direct reduction of the type II coordinated heme. Data will be presented on reduction rates of iron, the off rates of substrate (using surface plasmon resonance) and the catalytic rate constants. These data argue against the dead-end, and rapid equilibrium models, leaving the direct reduction kinetic mechanism for metabolism of the type II binding compound 1. PMID:21530484

The Enceladus Ionizing Radiation Environment: Implications for Biomolecules

NASA Astrophysics Data System (ADS)

Teodoro, L. A.; Elphic, R. C.; Davila, A. F.; McKay, C.; Dartnell, L.

2016-12-01

Enceladus' subsurface ocean is a possible abode for life, but it is inaccessible with current technology. However, icy particles and vapor are being expelled into space through surface fractures known as Tiger Stripes, forming a large plume centered in the South Polar Terrains. Direct chemical analyses by Cassini have revealed salts and organic compounds in a significant fraction of plume particles, which suggests that the subsurface ocean is the main source of materials in the plume (i.e. frozen ocean spray). While smaller icy particles in the plume reach escape velocity and feed Saturn's E-ring, larger particles fall back on the moon's surface, where they accumulate as icy mantling deposits at practically all latitudes. The organic content of these fall-out materials could be of great astrobiological relevance. Galactic Cosmic Rays (GCRs) that strike both Enceladus' surface and the lofted icy particles produce ionizing radiation in the form of high-energy electrons, protons, gamma rays, neutrons and muons. An additional source of ionizing radiation is the population of energetic charged particles in Saturn's magnetosphere. The effects of ionizing radiation in matter always involve the destruction of chemical bonds and the creation of free radicals. Both affect organic matter, and can damage or destroy biomarkers over time. Using ionizing radiation transport codes, we recreated the radiation environment on the surface of Enceladus, and evaluated its possible effects on organic matter (including biomarkers) in the icy mantling deposits. Here, we present full Monte-Carlo simulations of the nuclear reactions induced by the GCRs hitting Enceladus's surface using a code based on the GEANT-4 toolkit for the transport of particles. To model the GCR primary spectra for Z= 1-26 (protons to iron nuclei) we assumed the CREAME96 model under solar minimum, modified to take into account Enceladus' location. We considered bulk compositions of: i) pure water ice, ii) water ice

A Deep Chandra ACIS Study of NGC 4151. II. The Innermost Emission Line Region and Strong Evidence for Radio Jet-NLR Cloud Collision

NASA Astrophysics Data System (ADS)

Wang, Junfeng; Fabbiano, Giuseppina; Elvis, Martin; Risaliti, Guido; Mundell, Carole G.; Karovska, Margarita; Zezas, Andreas

2011-07-01

We have studied the X-ray emission within the inner ~150 pc radius of NGC 4151 by constructing high spatial resolution emission line images of blended O VII, O VIII, and Ne IX. These maps show extended structures that are spatially correlated with the radio outflow and optical [O III] emission. We find strong evidence for jet-gas cloud interaction, including morphological correspondences with regions of X-ray enhancement, peaks of near-infrared [Fe II] emission, and optical clouds. In these regions, moreover, we find evidence of elevated Ne IX/O VII ratios; the X-ray emission of these regions also exceeds that expected from nuclear photoionization. Spectral fitting reveals the presence of a collisionally ionized component. The thermal energy of the hot gas suggests that >~ 0.1% of the estimated jet power is deposited into the host interstellar medium through interaction between the radio jet and the dense medium of the circumnuclear region. We find possible pressure equilibrium between the collisionally ionized hot gas and the photoionized line-emitting cool clouds. We also obtain constraints on the extended iron and silicon fluorescent emission. Both lines are spatially unresolved. The upper limit on the contribution of an extended emission region to the Fe Kα emission is <~ 5% of the total, in disagreement with a previous claim that 65% of the Fe Kα emission originates in the extended narrow line region.

Regiones Extendidas de gas ionizado en radiogalaxias FR II. Estudio espectroscópico y cinemático.

NASA Astrophysics Data System (ADS)

Reynaldi, V.; Feinstein, C.

The EELR are regions of highly-excited ionized gas that extend throughout the outskirts of their host galaxies. Concerning FR II radio galaxies, alignment between optical and radio structures were found for several sources. We investigate the ionizing mechanisms of these regions through long-slit spectroscopic analysis. Photoionization models, where both the AGN and a mixed intergalactic medium may explain the ionization state of the regions are studied. But also the shock-ionization model is tested since it can provide a local budget of ionizing photons created by expanding radiative shock waves driven by the radio jet. Throughout this work we discuss spectroscopic and kinematical results obtained with GMOS/Gemini. FULL TEXT IN SPANISH

Comment on “Isotopic fractionation between Fe(III) and Fe(II) in aqueous solutions” by Clark Johnson et al., [Earth Planet. Sci. Lett. 195 (2002) 141–153

USGS Publications Warehouse

Bullen, Thomas D.; White, Arthur F.; Childs, Cyril W.

2003-01-01

In a recent contribution [1], Johnson et al. reported the equilibrium isotope fractionation factor between dissolved Fe(II) and Fe(III) in aqueous solutions at pH=2.5 and 5.5. They suggest that because the iron isotope fractionation observed in their experiments spans virtually the entire range observed in sedimentary rocks, Fe(II)–Fe(III) aqueous speciation may play a major role in determining iron isotope variations in nature where Fe(II) and Fe(III) can become physically separated. They discounted earlier conclusions by us and others [2] ;  [3] that significant equilibrium fractionation between specific coexisting Fe(II)- or Fe(III)-aqueous complexes (e.g., between aqueous Fe(II)(OH)x(aq)and Fe(II)(aq) ion) is capable of producing iron isotope contrasts that can be preserved in nature. This is an important contribution not only because the authors recognize the importance of abiotic equilibrium iron isotope fractionation in nature in contrast to previous assertions [4], but also because it will help to focus discussion on the development and evaluation of experimental approaches that can reveal abiotic fractionation mechanisms. However, in this Comment we propose that the experiments presented in this paper cannot be interpreted as straightforwardly as Johnson et al. contend. In particular, we show that in one of their critical experiments attainment of either isotope mass balance or equilibrium was not demonstrated, and thus the results of that experiment cannot be used to calculate an Fe(II)–Fe(III) equilibrium fractionation factor.

Ionization of EPA Contaminants in Direct and Dopant-Assisted Atmospheric Pressure Photoionization and Atmospheric Pressure Laser Ionization

NASA Astrophysics Data System (ADS)

Kauppila, Tiina J.; Kersten, Hendrik; Benter, Thorsten

2015-06-01

Seventy-seven EPA priority environmental pollutants were analyzed using gas chromatography-mass spectrometry (GC-MS) equipped with an optimized atmospheric pressure photoionization (APPI) and an atmospheric pressure laser ionization (APLI) interface with and without dopants. The analyzed compounds included e.g., polycyclic aromatic hydrocarbons (PAHs), nitro compounds, halogenated compounds, aromatic compounds with phenolic, acidic, alcohol, and amino groups, phthalate and adipatic esters, and aliphatic ethers. Toluene, anisole, chlorobenzene, and acetone were tested as dopants. The widest range of analytes was ionized using direct APPI (66/77 compounds). The introduction of dopants decreased the amount of compounds ionized in APPI (e.g., 54/77 with toluene), but in many cases the ionization efficiency increased. While in direct APPI the formation of molecular ions via photoionization was the main ionization reaction, dopant-assisted (DA) APPI promoted ionization reactions, such as charge exchange and proton transfer. Direct APLI ionized a much smaller amount of compounds than APPI (41/77 compounds), showing selectivity towards compounds with low ionization energies (IEs) and long-lived resonantly excited intermediate states. DA-APLI, however, was able to ionize a higher amount of compounds (e.g. 51/77 with toluene), as the ionization took place entirely through dopant-assisted ion/molecule reactions similar to those in DA-APPI. Best ionization efficiency in APPI and APLI (both direct and DA) was obtained for PAHs and aromatics with O- and N-functionalities, whereas nitro compounds and aliphatic ethers were the most difficult to ionize. Halogenated aromatics and esters were (mainly) ionized in APPI, but not in APLI.

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…

Autophagic cell death induced by reactive oxygen species is involved in hyperthermic sensitization to ionizing radiation in human hepatocellular carcinoma cells.

PubMed

Yuan, Guang-Jin; Deng, Jun-Jian; Cao, De-Dong; Shi, Lei; Chen, Xin; Lei, Jin-Ju; Xu, Xi-Ming

2017-08-14

To investigate whether autophagic cell death is involved in hyperthermic sensitization to ionizing radiation in human hepatocellular carcinoma cells, and to explore the underlying mechanism. Human hepatocellular carcinoma cells were treated with hyperthermia and ionizing radiation. MTT and clonogenic assays were performed to determine cell survival. Cell autophagy was detected using acridine orange staining and flow cytometric analysis, and the expression of autophagy-associated proteins, LC3 and p62, was determined by Western blot analysis. Intracellular reactive oxygen species (ROS) were quantified using the fluorescent probe DCFH-DA. Treatment with hyperthermia and ionizing radiation significantly decreased cell viability and surviving fraction as compared with hyperthermia or ionizing radiation alone. Cell autophagy was significantly increased after ionizing radiation combined with hyperthermia treatment, as evidenced by increased formation of acidic vesicular organelles, increased expression of LC3II and decreased expression of p62. Intracellular ROS were also increased after combined treatment with hyperthermia and ionizing radiation. Pretreatment with N-acetylcysteine, an ROS scavenger, markedly inhibited the cytotoxicity and cell autophagy induced by hyperthermia and ionizing radiation. Autophagic cell death is involved in hyperthermic sensitization of cancer cells to ionizing radiation, and its induction may be due to the increased intracellular ROS.

Influence of Triply-Charged Ions and Ionization Cross-Sections in a Hybrid-PIC Model of a Hall Thruster Discharge

NASA Technical Reports Server (NTRS)

Smith, Brandon D.; Boyd, Iain D.; Kamhawi, Hani

2014-01-01

The sensitivity of xenon ionization rates to collision cross-sections is studied within the framework of a hybrid-PIC model of a Hall thruster discharge. A revised curve fit based on the Drawin form is proposed and is shown to better reproduce the measured crosssections at high electron energies, with differences in the integrated rate coefficients being on the order of 10% for electron temperatures between 20 eV and 30 eV. The revised fit is implemented into HPHall and the updated model is used to simulate NASA's HiVHAc EDU2 Hall thruster at discharge voltages of 300, 400, and 500 V. For all three operating points, the revised cross-sections result in an increase in the predicted thrust and anode efficiency, reducing the error relative to experimental performance measurements. Electron temperature and ionization reaction rates are shown to follow the trends expected based on the integrated rate coefficients. The effects of triply-charged xenon are also assessed. The predicted thruster performance is found to have little or no dependence on the presence of triply-charged ions. The fraction of ion current carried by triply-charged ions is found to be on the order of 1% and increases slightly with increasing discharge voltage. The reaction rates for the 0?III, I?III, and II?III ionization reactions are found to be of similar order of magnitude and are about one order of magnitude smaller than the rate of 0?II ionization in the discharge channel.

Discovery of Low-ionization Envelopes in the Planetary Nebula NGC 5189: Spatially-resolved Diagnostics from HST Observations

NASA Astrophysics Data System (ADS)

Danehkar, Ashkbiz; Karovska, Margarita; Maksym, Walter Peter; Montez, Rodolfo

2018-01-01

The planetary nebula NGC 5189 shows one of the most spectacular morphological structures among planetary nebulae with [WR]-type central stars. Using high-angular resolution HST/WFC3 imaging, we discovered inner, low-ionization structures within a region of 0.3 parsec × 0.2 parsec around the central binary system. We used Hα, [O III], and [S II] emission line images to construct line-ratio diagnostic maps, which allowed us to spatially resolve two distinct low-ionization envelopes within the inner, ionized gaseous environment, extending over a distance of 0.15 pc from the central binary. Both the low-ionization envelopes appear to be expanding along a NE to SW symmetric axis. The SW envelope appears smaller than its NE counterpart. Our diagnostic maps show that highly-ionized gas surrounds these low-ionization envelopes, which also include filamentary and clumpy structures. These envelopes could be a result of a powerful outburst from the central interacting binary, when one of the companions (now a [WR] star) was in its AGB evolutionary stage, with a strong mass-loss generating dense circumstellar shells. Dense material ejected from the progenitor AGB star is likely heated up as it propagates along a symmetric axis into the previously expelled low-density material. Our new diagnostic methodology is a powerful tool for high-angular resolution mapping of low-ionization structures in other planetary nebulae with complex structures possibly caused by past outbursts from their progenitors.

Dusty cradles in a turbulent nursery: the SGR A east H II region complex at the galactic center

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lau, R. M.; Herter, T. L.; Adams, J. D.

2014-10-20

We present imaging at 19, 25, 31, and 37 μm of the compact H II region complex G-0.02-0.07 located 6 pc in projection from the center of the Galaxy obtained with SOFIA using FORCAST. G-0.02-0.07 contains three compact H II regions (A, B, and C) and one ultra-compact H II region (D). Our observations reveal the presence of two faint, infrared sources located 23'' and 35'' to the east of region C (FIRS 1 and 2) and detect dust emission in two of the three 'ridges' of ionized gas west of region A. The 19/37 color temperature and 37 μmmore » optical depth maps of regions A-C are used to characterize the dust energetics and morphology. Regions A and B exhibit average 19/37 color temperatures of ∼105 K, and regions C and D exhibit color temperatures of ∼115 K and ∼130 K, respectively. Using the DustEM code, we model the SEDs of regions A-D and FIRS 1, all of which require populations of very small, transiently heated grains and large, equilibrium-heated grains. We also require the presence of polycyclic aromatic hydrocarbons in regions A-C in order to fit the 3.6, 4.5, 5.8, and 8.0 μm fluxes observed by Spitzer/IRAC. The location of the heating source for region A is determined by triangulation from distances and temperatures derived from DustEM models fit to SEDs of three different points around the region, and it is found to be displaced to the northeast of the center of curvature near the color temperature peak. Based on total luminosity, expected 1.90 μm fluxes, and proximity to the mid-IR color temperature peaks, we identify heating source candidates for regions A, B, and C. However, for region D, the observed fluxes at 1.87 and 1.90 μm of the previously proposed ionizing star are a factor of ∼40 times too bright to be the heating source and hence is likely just a star lying along the line of sight toward region D.« less

The Nash equilibrium: A perspective

PubMed Central

Holt, Charles A.; Roth, Alvin E.

2004-01-01

In 1950, John Nash contributed a remarkable one-page PNAS article that defined and characterized a notion of equilibrium for n- person games. This notion, now called the “Nash equilibrium,” has been widely applied and adapted in economics and other behavioral sciences. Indeed, game theory, with the Nash equilibrium as its centerpiece, is becoming the most prominent unifying theory of social science. In this perspective, we summarize the historical context and subsequent impact of Nash's contribution. PMID:15024100

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

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.

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

Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.

PubMed

Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S

2015-08-01

Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms. © 2015 The Authors Ecology Letters published by John Wiley & Sons Ltd and CNRS.

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.

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.

Kinetics of Cd(ii) adsorption and desorption on ferrihydrite: experiments and modeling.

PubMed

Liang, Yuzhen; Tian, Lei; Lu, Yang; Peng, Lanfang; Wang, Pei; Lin, Jingyi; Cheng, Tao; Dang, Zhi; Shi, Zhenqing

2018-05-15

The kinetics of Cd(ii) adsorption/desorption on ferrihydrite is an important process affecting the fate, transport, and bioavailability of Cd(ii) in the environment, which was rarely systematically studied and understood at quantitative levels. In this work, a combination of stirred-flow kinetic experiments, batch adsorption equilibrium experiments, high-resolution transmission electron microscopy (HR-TEM), and mechanistic kinetic modeling were used to study the kinetic behaviors of Cd(ii) adsorption/desorption on ferrihydrite. HR-TEM images showed the open, loose, and sponge-like structure of ferrihydrite. The batch adsorption equilibrium experiments revealed that higher pH and initial metal concentration increased Cd(ii) adsorption on ferrihydrite. The stirred-flow kinetic results demonstrated the increased adsorption rate and capacity as a result of the increased pH, influent concentration, and ferrihydrite concentration. The mechanistic kinetic model successfully described the kinetic behaviors of Cd(ii) during the adsorption and desorption stages under various chemistry conditions. The model calculations showed that the adsorption rate coefficients varied as a function of solution chemistry, and the relative contributions of the weak and strong ferrihydrite sites for Cd(ii) binding varied with time at different pH and initial metal concentrations. Our model is able to quantitatively assess the contributions of each individual ferrihydrite binding site to the overall Cd(ii) adsorption/desorption kinetics. This study provided insights into the dynamic behavior of Cd(ii) and a predictive modeling tool for Cd(ii) adsorption/desorption kinetics when ferrihydrite is present, which may be helpful for the risk assessment and management of Cd contaminated sites.

Trimethoprim degradation by Fenton and Fe(II)-activated persulfate processes.

PubMed

Wang, Shizong; Wang, Jianlong

2018-01-01

Trimethoprim is a pollutant ubiquitous in the environment due to its extensive application, and it cannot be effectively removed by conventional wastewater treatment processes. In this study, the Fenton and the Fe(II)-activated persulfate processes were employed to degrade trimethoprim in an aqueous solution. The results showed that the concentration of persulfate, H 2 O 2 and Fe(II) a had significant influence on the degradation of trimethoprim in both processes. De-ionized water spiked with trimethoprim resulted in the complete degradation of trimethoprim (0.05 mM) by the mineralization of 54.9% of Fenton's reagent when the concentrations of H 2 O 2 and Fe(II) were 1 mM and 0.05 mM, respectively. In contrast, 73.4% of trimethoprim was degraded by the mineralization of 40.5% of the Fe(II)-activated persulfate process when the concentration of persulfate and Fe(II) were each 4 mM. Intermediate compounds with different m/z were detected for the Fenton and the Fe(II)-activated persulfate processes, indicating alternative degradation pathways. In the actual wastewater spiked with trimethoprim, the removal efficiency of trimethoprim decreased to 35.8% and 43.6%, respectively, for the Fenton and the Fe(II)-activated persulfate processes. In addition, the decomposition efficiencies for hydrogen peroxide and persulfate were 43.8% and 92.5%, respectively, which was lower than those in the de-ionized water system. These results demonstrated that wastewater components had a negative influence on trimethoprim degradation and the decomposition of the oxidants (persulfate and H 2 O 2 ). In summary, the Fe(II)-activated persulfate process could be used as an alternative technology for treating trimethoprim-containing wastewater. Copyright © 2017 Elsevier Ltd. All rights reserved.

The Effect of High-Dose Ionizing Radiation on the Astrobiological Model Lichen Circinaria gyrosa

NASA Astrophysics Data System (ADS)

de la Torre, Rosa; Zélia Miller, Ana; Cubero, Beatriz; Martín-Cerezo, M. Luisa; Raguse, Marina; Meeßen, Joachim

2017-02-01

The lichen Circinaria gyrosa is an astrobiological model defined by its high capacity of resistance to space conditions and to a simulated martian environment. Therefore, it became part of the currently operated BIOMEX experiment on board the International Space Station and the recent STARLIFE campaign to study the effects of four types of space-relevant ionizing radiation. The samples were irradiated with helium and iron ions at doses up to 2 kGy, with X-rays at doses up to 5 kGy and with γ rays at doses from 6 to 113 kGy. Results on C. gyrosa's resistance to simulated space ionizing radiation and its post-irradiation viability were obtained by (i) chlorophyll a fluorescence of photosystem II (PSII), (ii) epifluorescence microscopy, (iii) confocal laser scanning microscopy (CLSM), and (iv) field emission scanning electron microscopy (FESEM). Results of photosynthetic activity and epifluorescence show no significant changes up to a dose of 1 kGy (helium ions), 2 kGy (iron ions), 5 kGy (X-rays) - the maximum doses applied for those radiation qualities - as well as a dose of 6 kGy of γ irradiation, which was the lowest dose applied for this low linear energy transfer (LET) radiation. Significant damage in a dose-related manner was observed only at much higher doses of γ irradiation (up to 113 kGy). These data corroborate the findings of the parallel STARLIFE studies on the effects of ionizing radiation on the lichen Circinaria gyrosa, its isolated photobiont, and the lichen Xanthoria elegans.

Laser desorption/ionization from nanostructured surfaces: nanowires, nanoparticle films and silicon microcolumn arrays

NASA Astrophysics Data System (ADS)

Chen, Yong; Luo, Guanghong; Diao, Jiajie; Chornoguz, Olesya; Reeves, Mark; Vertes, Akos

2007-04-01

Due to their optical properties and morphology, thin films formed of nanoparticles are potentially new platforms for soft laser desorption/ionization (SLDI) mass spectrometry. Thin films of gold nanoparticles (with 12±1 nm particle size) were prepared by evaporation-driven vertical colloidal deposition and used to analyze a series of directly deposited polypeptide samples. In this new SLDI method, the required laser fluence for ion detection was equal or less than what was needed for matrix-assisted laser desorption/ionization (MALDI) but the resulting spectra were free of matrix interferences. A silicon microcolumn array-based substrate (a.k.a. black silicon) was developed as a new matrix-free laser desorption ionization surface. When low-resistivity silicon wafers were processed with a 22 ps pulse length 3×ω Nd:YAG laser in air, SF6 or water environment, regularly arranged conical spikes emerged. The radii of the spike tips varied with the processing environment, ranging from approximately 500 nm in water, to ~2 µm in SF6 gas and to ~5 µm in air. Peptide mass spectra directly induced by a nitrogen laser showed the formation of protonated ions of angiotensin I and II, substance P, bradykinin fragment 1-7, synthetic peptide, pro14-arg, and insulin from the processed silicon surfaces but not from the unprocessed areas. Threshold fluences for desorption/ionization were similar to those used in MALDI. Although compared to silicon nanowires the threshold laser pulse energy for ionization is significantly (~10×) higher, the ease of production and robustness of microcolumn arrays offer complementary benefits.

Non-equilibrium diffusion combustion of a fuel droplet

NASA Astrophysics Data System (ADS)

Tyurenkova, Veronika V.

2012-06-01

A mathematical model for the non-equilibrium combustion of droplets in rocket engines is developed. This model allows to determine the divergence of combustion rate for the equilibrium and non-equilibrium model. Criterion for droplet combustion deviation from equilibrium is introduced. It grows decreasing droplet radius, accommodation coefficient, temperature and decreases on decreasing diffusion coefficient. Also divergence from equilibrium increases on reduction of droplet radius. Droplet burning time essentially increases under non-equilibrium conditions. Comparison of theoretical and experimental data shows that to have adequate solution for small droplets it is necessary to use the non-equilibrium model.

Effect of Dunaliella tertiolecta organic exudates on the Fe(II) oxidation kinetics in seawater.

PubMed

González, A G; Santana-Casiano, J M; González-Dávila, M; Pérez-Almeida, N; Suárez de Tangil, M

2014-07-15

The role played by the natural organic ligands excreted by the green algae Dunaliella tertiolecta on the Fe(II) oxidation rate constants was studied at different stages of growth. The concentration of dissolved organic carbon increased from 2.1 to 7.1 mg L(-1) over time of culture. The oxidation kinetics of Fe(II) was studied at nanomolar levels and under different physicochemical conditions of pH (7.2-8.2), temperature (5-35 °C), salinity (10-37), and dissolved organic carbon produced by cells (2.1-7.1 mg L(-1)). The experimental rate always decreased in the presence of organic exudates with respect to that in the control seawater. The Fe(II) oxidation rate constant was also studied in the context of Marcus theory, where ΔG° was 39.31-51.48 kJ mol(-1). A kinetic modeling approach was applied for computing the equilibrium and rate constants for Fe(II) and exudates present in solution, the Fe(II) speciation, and the contribution of each Fe(II) species to the overall oxidation rate constant. The best fit model took into account two acidity equilibrium constants for the Fe(II) complexing ligands with pKa,1=9.45 and pKa,2=4.9. The Fe(II) complexing constants were KFe(II)-LH=3×10(10) and KFe(II)-L=10(7), and the corresponding computed oxidation rates were 68±2 and 36±8 M(-1) min(-1), respectively.

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.

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.

Laser Induced Fluorescence (LIF) Measurements of Neutral (ArI) and singly-ionized (ArII) Argon in a LargeScale Helicon Plasma

NASA Astrophysics Data System (ADS)

Kelly, R. F.; Fisher, D. M.; Hatch, M. W.; Gilmore, M.; Dwyer, R. H.; Meany, K.; Zhang, Y.; Desjardins, T. R.

2017-10-01

In order to investigate the role of neutral dynamics in helicon discharges in the HelCat (Helicon-Cathode) plasma device at U. New Mexico, a Laser Induced Fluorescence (LIF) system has been developed. The LIF system is based on a >250 mW, tunable diode laser with a tuning range between 680 and 700nm. For neutral Argon, the laser pumps the metastable (2P3/20) 4s level to the (2P1/20) 4p level using 696. 7352 nm light. The fluorescence radiation from decay to the (2P1/20) 4s level at 772. 6333 nm is observed. For singly ionized Argon, the laser pumps the 3s23p4(3 P)3d level to the 3s23p4(3 P)4p level using 686.3162nm light. The fluorescence radiation from the decay to the 3s23p4(3 P)4s level is observed. The system design, and velocity measurements in the axial, azimuthal and radial directions for ArI, and in the axial direction for ArII will be presented. Supported by U.S. National Science Foundation Award 1500423.

"Non-equilibrium" block copolymer micelles with glassy cores: a predictive approach based on theory of equilibrium micelles.

PubMed

Nagarajan, Ramanathan

2015-07-01

Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to

New Atomic Data for Doubly Ionized Iron Group Atoms by High Resolution UV Fourier Transform Spectroscopy

NASA Technical Reports Server (NTRS)

Smith, Peter L.; Pickering, Juliet C.; Thorne, A. P.

2002-01-01

Currently available laboratory spectroscopic data of doubly ionized iron-group element were obtained about 50 years ago using spectrographs of modest dispersion, photographic plates, and eye estimates of intensities. The accuracy of the older wavelength data is about 10 mAngstroms at best, whereas wavelengths are now needed to an accuracy of 1 part in 10(exp 6) to 10(exp 7) (0.2 to 2 mAngstroms at 2000 Angstroms). The Fourier transform (FT) spectroscopy group at Imperial College, London, and collaborators at the Harvard College Observatory have used a unique VUV FT spectrometer in a program focussed on improving knowledge of spectra of many neutral and singly and doubly ionized, astrophysically important, iron group elements. Spectra of Fe II and Fe III have been recorded at UV and VUV wavelengths with signal-to-noise ratios of several hundred for the stronger lines. Wavelengths and energy levels for Fe III are an order of magnitude more accurate than previous work; analysis is close to completion. f-values for Fe II have been published.

Impact ionization and band-to-band tunneling in InxGa1-xAs PIN ungated devices: A Monte Carlo analysis

NASA Astrophysics Data System (ADS)

Vasallo, B. G.; González, T.; Talbo, V.; Lechaux, Y.; Wichmann, N.; Bollaert, S.; Mateos, J.

2018-01-01

III-V Impact-ionization (II) metal-oxide-semiconductor FETs (I-MOSFETs) and tunnel FETs (TFETs) are being explored as promising devices for low-power digital applications. To assist the development of these devices from the physical point of view, a Monte Carlo (MC) model which includes impact ionization processes and band-to-band tunneling is presented. The MC simulator reproduces the I-V characteristics of experimental ungated In0.53Ga0.47As 100 nm PIN diodes, in which tunneling emerges for lower applied voltages than impact ionization events, thus being appropriate for TFETs. When the structure is enlarged up to 200 nm, the ON-state is achieved by means of impact ionization processes; however, the necessary applied voltage is higher, with the consequent drawback for low-power applications. In InAs PIN ungated structures, the onset of both impact ionization processes and band-to-band tunneling takes place for similar applied voltages, lower than 1 V; thus they are suitable for the design of low-power I-MOSFETs.

Flame Atmospheric Pressure Chemical Ionization Coupled with Negative Electrospray Ionization Mass Spectrometry for Ion Molecule Reactions.

PubMed

Cheng, Sy-Chyi; Bhat, Suhail Muzaffar; Shiea, Jentaie

2017-07-01

Flame atmospheric pressure chemical ionization (FAPCI) combined with negative electrospray ionization (ESI) mass spectrometry was developed to detect the ion/molecule reactions (IMRs) products between nitric acid (HNO 3 ) and negatively charged amino acid, angiotensin I (AI) and angiotensin II (AII), and insulin ions. Nitrate and HNO 3 -nitrate ions were detected in the oxyacetylene flame, suggesting that a large quantity of nitric acid (HNO 3 ) was produced in the flame. The HNO 3 and negatively charged analyte ions produced by a negative ESI source were delivered into each arm of a Y-shaped stainless steel tube where they merged and reacted. The products were subsequently characterized with an ion trap mass analyzer attached to the exit of the Y-tube. HNO 3 showed the strongest affinity to histidine and formed (M histidine -H+HNO 3 ) - complex ions, whereas some amino acids did not react with HNO 3 at all. Reactions between HNO 3 and histidine residues in AI and AII resulted in the formation of dominant [M AI -H+(HNO 3 )] - and [M AII -H+(HNO 3 )] - ions. Results from analyses of AAs and insulin indicated that HNO 3 could not only react with basic amino acid residues, but also with disulfide bonds to form [M-3H+(HNO 3 ) n ] 3- complex ions. This approach is useful for obtaining information about the number of basic amino acid residues and disulfide bonds in peptides and proteins. Graphical Abstract ᅟ.

Flame Atmospheric Pressure Chemical Ionization Coupled with Negative Electrospray Ionization Mass Spectrometry for Ion Molecule Reactions

NASA Astrophysics Data System (ADS)

Cheng, Sy-Chyi; Bhat, Suhail Muzaffar; Shiea, Jentaie

2017-07-01

Flame atmospheric pressure chemical ionization (FAPCI) combined with negative electrospray ionization (ESI) mass spectrometry was developed to detect the ion/molecule reactions (IMRs) products between nitric acid (HNO3) and negatively charged amino acid, angiotensin I (AI) and angiotensin II (AII), and insulin ions. Nitrate and HNO3-nitrate ions were detected in the oxyacetylene flame, suggesting that a large quantity of nitric acid (HNO3) was produced in the flame. The HNO3 and negatively charged analyte ions produced by a negative ESI source were delivered into each arm of a Y-shaped stainless steel tube where they merged and reacted. The products were subsequently characterized with an ion trap mass analyzer attached to the exit of the Y-tube. HNO3 showed the strongest affinity to histidine and formed (Mhistidine-H+HNO3)- complex ions, whereas some amino acids did not react with HNO3 at all. Reactions between HNO3 and histidine residues in AI and AII resulted in the formation of dominant [MAI-H+(HNO3)]- and [MAII-H+(HNO3)]- ions. Results from analyses of AAs and insulin indicated that HNO3 could not only react with basic amino acid residues, but also with disulfide bonds to form [M-3H+(HNO3)n]3- complex ions. This approach is useful for obtaining information about the number of basic amino acid residues and disulfide bonds in peptides and proteins.

Effects of ionization and ion loss on dust ion-acoustic solitary waves in a collisional dusty plasma with suprathermal electrons

NASA Astrophysics Data System (ADS)

Mayout, Saliha; Gougam, Leila Ait; Tribeche, Mouloud

2016-03-01

The combined effects of ionization, ion loss, and electron suprathermality on dust ion-acoustic solitary waves in a collisional dusty plasma are examined. Carrying out a small but finite amplitude analysis, a damped Korteweg-de Vries (dK-dV) equation is derived. The damping term decreases with the increase of the spectral index and saturates for Maxwellian electrons. Choosing typical plasma parameters, the analytical approximate solution of the dK-dV equation is numerically analyzed. We first neglect the ionization and ion loss effects and account only for collisions to estimate the relative importance between these damping terms which can act concurrently. Interestingly, we found that as the suprathermal character of the electrons becomes important, the strength of the collisions related dissipation becomes more important and causes the dust ion-acoustic solitary wave amplitude to decay more rapidly. Moreover, the collisional damping may largely prevail over the ionization and ion loss related damping. The latter becomes more effective as the electrons evolve far away from their thermal equilibrium. Our results complement and provide new insights into previously published work on this problem.

Present-day Galactic Evolution: Low-metallicity, Warm, Ionized Gas Inflow Associated with High-velocity Cloud Complex A

NASA Astrophysics Data System (ADS)

Barger, K. A.; Haffner, L. M.; Wakker, B. P.; Hill, Alex. S.; Madsen, G. J.; Duncan, A. K.

2012-12-01

The high-velocity cloud Complex A is a probe of the physical conditions in the Galactic halo. The kinematics, morphology, distance, and metallicity of Complex A indicate that it represents new material that is accreting onto the Galaxy. We present Wisconsin Hα Mapper kinematically resolved observations of Complex A over the velocity range of -250 to -50 km s-1 in the local standard of rest reference frame. These observations include the first full Hα intensity map of Complex A across (\\mathit {l, b}) = (124{^\\circ }, 18{^\\circ }) to (171°, 53°) and deep targeted observations in Hα, [S II] λ6716, [N II] λ6584, and [O I] λ6300 toward regions with high H I column densities, background quasars, and stars. The Hα data imply that the masses of neutral and ionized material in the cloud are similar, both being greater than 106 M ⊙. We find that the Bland-Hawthorn & Maloney model for the intensity of the ionizing radiation near the Milky Way is consistent with the known distance of the high-latitude part of Complex A and an assumed cloud geometry that puts the lower-latitude parts of the cloud at a distance of 7-8 kpc. This compatibility implies a 5% ionizing photon escape fraction from the Galactic disk. We also provide the nitrogen and sulfur upper abundance solutions for a series of temperatures, metallicities, and cloud configurations for purely photoionized gas; these solutions are consistent with the sub-solar abundances found by previous studies, especially for temperatures above 104 K or for gas with a high fraction of singly ionized nitrogen and sulfur.

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.

Non-equilibrium dynamics from RPMD and CMD.

PubMed

Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

2016-11-28

We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

Far Outer Galaxy H II Regions

NASA Technical Reports Server (NTRS)

Rudolph, A. L.; deGues, E. J.; Brand, J.; Wouterloot, J. G. A.; Gross, Anthony R. (Technical Monitor)

1994-01-01

We have made a multifrequency (6, 3.6, and 2 cm), high-resolution (3"-6"), radio continuum survey of IRAS selected sources from the catalogue of Wouterloot & Brand (1989) to search for and study H II regions in the far outer Galaxy. We identified 31 sources in this catalog with well determined galactocentric distances, and with R approx.. greater than 15 kpc and L(sub FIR) approx.greater than 10(exp 4) solar luminosity, indicating the presence of high-mass star-formation. We have observed 11 of these sources with the Very Large Array (VLA). We observed the sources at 6 and 2 cm using "scaled arrays", making possible a direct and reliable comparison of the data at these two wavelengths for the determination of spectral indices. We detected a total of 12 radio sources, of which 10 have spectral indices consistent with optically-thin free-free emission from H II regions. Combined with previous VLA observations by other investigators, we have data on a total of 15 H II regions at galactocentric distances of 15 to 18.2kpc, among the most remote H II regions found in our Galaxy. The sizes of the H II regions range from approx. less than 0.10 to 2.3 pc. Using the measured fluxes and sizes, we determine the electron densities, emission measures, and excitation parameters of the H II regions, as well as the fluxes of Lyman continuum photons needed to keep the nebulae ionized. The sizes and electron densities are consistent with most of the sources detected in this survey being compact or ultracompact H II regions. Seven of the fifteen H II regions have sizes approx. less than 0.20 pc. Assuming simple pressure-driven expansion of the H II regions, these sizes indicate ages approx. less than 5 x 10(exp 4) yr, or only 1% of the lifetime of an O star, which implies an unlikely overabundance of O stars in the outer Galaxy. Thus, the large number of compact H II regions suggests that the time these regions spend in a compact phase must be much longer than their dynamical

Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials.

PubMed

Verma, Prakash; Bartlett, Rodney J

2014-05-14

This paper's objective is to create a "consistent" mean-field based Kohn-Sham (KS) density functional theory (DFT) meaning the functional should not only provide good total energy properties, but also the corresponding KS eigenvalues should be accurate approximations to the vertical ionization potentials (VIPs) of the molecule, as the latter condition attests to the viability of the exchange-correlation potential (VXC). None of the prominently used DFT approaches show these properties: the optimized effective potential VXC based ab initio dft does. A local, range-separated hybrid potential cam-QTP-00 is introduced as the basis for a "consistent" KS DFT approach. The computed VIPs as the negative of KS eigenvalue have a mean absolute error of 0.8 eV for an extensive set of molecule's electron ionizations, including the core. Barrier heights, equilibrium geometries, and magnetic properties obtained from the potential are in good agreement with experiment. A similar accuracy with less computational efforts can be achieved by using a non-variational global hybrid variant of the QTP-00 approach.

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.

A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Munafò, A., E-mail: munafo@illinois.edu; Alfuhaid, S. A., E-mail: alfuhai2@illinois.edu; Panesi, M., E-mail: mpanesi@illinois.edu

2015-10-07

The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled systemmore » of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients.« less

Regular oscillatory behavior of aqueous solutions of CuII salts related to effects on equilibrium dynamics of ortho/para hydrogen spin isomers of water.

PubMed

Morré, D J; Orczyk, J; Hignite, H; Kim, C

2008-02-01

Cell surface and growth-related NADH oxidases with protein disulfide-thiol interchange activity, ECTO-NOX, exhibit copper-dependent, clock-related, temperature-independent and entrainable patterns of regular oscillations in the rate of oxidation of NAD(P)H as do aqueous solutions of copper salts. Because of time scale similarities, a basis for the oscillatory patterns in nuclear spin orientations of the hydrogen atoms of the copper-associated water was sought. Extended X-ray absorption fine structure (EXAFS) measurements at 9302 eV on pure water were periodic with a ca. 3.5 min peak to peak separation. Decomposition fits revealed 5 unequally spaced maxima similar to those observed previously for Cu(II)Cl(2) to generate a period length of about 18 min. With D(2)O, the period length was proportionately increased by 30% to 24 min. The redox potential of water and of D(2)O also oscillated with 18 and 24 min period lengths, respectively. Measurements in the middle infrared spectral region above a water sample surface revealed apparent oscillations in the two alternative orientations of the nuclear spins (ortho and para) of the hydrogen atoms of the water or D(2)O with 5 unequally spaced maxima and respective period lengths of 18 and 24 min. Thus, the time keeping oscillations of ECTO-NOX proteins appear to reflect the equilibrium dynamics of ortho-para hydrogen atom spin ratios of water where the presence of metal cations such as Cu(II) in solution determine period length.

Partially Ionized Plasmas in Astrophysics

NASA Astrophysics Data System (ADS)

Ballester, José Luis; Alexeev, Igor; Collados, Manuel; Downes, Turlough; Pfaff, Robert F.; Gilbert, Holly; Khodachenko, Maxim; Khomenko, Elena; Shaikhislamov, Ildar F.; Soler, Roberto; Vázquez-Semadeni, Enrique; Zaqarashvili, Teimuraz

2018-03-01

Partially ionized plasmas are found across the Universe in many different astrophysical environments. They constitute an essential ingredient of the solar atmosphere, molecular clouds, planetary ionospheres and protoplanetary disks, among other environments, and display a richness of physical effects which are not present in fully ionized plasmas. This review provides an overview of the physics of partially ionized plasmas, including recent advances in different astrophysical areas in which partial ionization plays a fundamental role. We outline outstanding observational and theoretical questions and discuss possible directions for future progress.

Redox characterization of the Fe(II)-catalyzed transformation of ferrihydrite to goethite

NASA Astrophysics Data System (ADS)

Jones, Adele M.; Collins, Richard N.; Waite, T. David

2017-12-01

The reduction potential of Fe(II)-Fe(III) (oxyhydr)oxide systems provides an important control on the biogeochemical cycling of redox-sensitive elements such as carbon and nitrogen as well as trace metals and organic contaminants in natural systems. As such, an in-depth understanding of the factors controlling the reduction potential of such systems is critical to predicting the likely transformation, transport and fate of these species in natural and perturbed environments. In this study the mineralogy and reduction potential of ferrihydrite suspensions at pH 6.50 and pH 7.00 were determined over the course of their Fe(II)-catalyzed transformation to lepidocrocite and goethite using X-ray absorption spectroscopy and mediated electrochemical approaches. The measured reduction potentials were compared to those of analogous Fe(II)-Fe(III) (oxyhydr)oxide suspensions reacted for 5 min containing pure ferrihydrite (Fh), lepidocrocite (L) and goethite (Gt). The reduction potentials of the pure Fe(II)-Fe(III) (oxyhydr)oxide suspensions were, respectively, +47.5, -13.5 and -122.3 mV vs. SHE at pH 6.5, and -22.9, -84.1 and -189.7 mV vs. SHE at pH 7. These values are in good agreement with reduction potentials calculated using the Nernst equation and reported thermodynamic solubility products indicating that these suspensions had reached equilibrium within 5 min. The reduction potential of the pH 6.50 Fe(II)-ferrihydrite suspension decreased from +47.4 mV to -126.4 mV over a week, and from -20.1 mV to -188.4 mV (all vs. SHE) after 24 h at pH 7. The changes in reduction potential over time matched well to those calculated from the relative proportion of each pure Fe(III) (oxyhydr)oxide present suggesting that Fe3+ activity was influenced by the mix of iron oxides present rather than the most insoluble solid species. Finally, evidence is provided that adsorbed Fe(II) has the capacity to reduce a significantly larger fraction of a reducible species than the aqueous Fe(II

Kinetics of FeII-polyaminocarboxylate oxidation by molecular oxygen

NASA Astrophysics Data System (ADS)

Wilson, Jessica M.; Farley, Kevin J.; Carbonaro, Richard F.