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Sample records for solutions iii modeling

  1. Solution chemistry of Mo(III) and Mo(IV): Thermodynamic foundation for modeling localized corrosion

    International Nuclear Information System (INIS)

    Wang Peiming; Wilson, Leslie L.; Wesolowski, David J.; Rosenqvist, Joergen; Anderko, Andrzej

    2010-01-01

    To investigate the behavior of molybdenum dissolution products in systems that approximate localized corrosion environments, solubility of Mo(III) in equilibrium with solid MoO 2 has been determined at 80 deg. C as a function of solution acidity, chloride concentration and partial pressure of hydrogen. The measurements indicate a strong increase in solubility with acidity and chloride concentration and a weak effect of hydrogen partial pressure. The obtained results have been combined with literature data for systems containing Mo(III), Mo(IV), and Mo(VI) in solutions to develop a comprehensive thermodynamic model of aqueous molybdenum chemistry. The model is based on a previously developed framework for simulating the properties of electrolyte systems ranging from infinite dilution to solid saturation or fused salt limit. To reproduce the measurements, the model assumes the presence of a chloride complex of Mo(III) (i.e., MoCl 2+ ) and hydrolyzed species (MoOH 2+ , Mo(OH) 2 + , and Mo(OH) 3 0 ) in addition to the Mo 3+ ion. The model generally reproduces the experimental data within experimental scattering and provides a tool for predicting the phase behavior and speciation in complex, concentrated aqueous solutions. Thus, it provides a foundation for simulating the behavior of molybdenum species in localized corrosion environments.

  2. Removal of Cr(III ions from salt solution by nanofiltration: experimental and modelling analysis

    Directory of Open Access Journals (Sweden)

    Kowalik-Klimczak Anna

    2016-09-01

    Full Text Available The aim of this study was experimental and modelling analysis of the nanofiltration process used for the removal of chromium(III ions from salt solution characterized by low pH. The experimental results were interpreted with Donnan and Steric Partitioning Pore (DSP model based on the extended Nernst-Planck equation. In this model, one of the main parameters, describing retention of ions by the membrane, is pore dielectric constant. In this work, it was identified for various process pressures and feed compositions. The obtained results showed the satisfactory agreement between the experimental and modelling data. It means that the DSP model may be helpful for the monitoring of nanofiltration process applied for treatment of chromium tannery wastewater.

  3. Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H2O system at 25°C

    Science.gov (United States)

    André, Laurent; Christov, Christomir; Lassin, Arnault; Azaroual, Mohamed

    2018-03-01

    The knowledge of the thermodynamic behavior of multicomponent aqueous electrolyte systems is of main interest in geo-, and environmental-sciences. The main objective of this study is the development of a high accuracy thermodynamic model for solution behavior, and highly soluble M(III)Cl3(s) (M= Al, Fe, Cr) minerals solubility in Na-Al(III)-Cr(III)-Fe(III)-Cl-H2O system at 25°C. Comprehensive thermodynamic models that accurately predict aluminium, chromium and iron aqueous chemistry and M(III) mineral solubilities as a function of pH, solution composition and concentration are critical for understanding many important geochemical and environmental processes involving these metals (e.g., mineral dissolution/alteration, rock formation, changes in rock permeability and fluid flow, soil formation, mass transport, toxic M(III) remediation). Such a model would also have many industrial applications (e.g., aluminium, chromium and iron production, and their corrosion, solve scaling problems in geothermal energy and oil production). Comparisons of solubility and activity calculations with the experimental data in binary and ternary systems indicate that model predictions are within the uncertainty of the data. Limitations of the model due to data insufficiencies are discussed. The solubility modeling approach, implemented to the Pitzer specific interaction equations is employed. The resulting parameterization was developed for the geochemical Pitzer formalism based PHREEQC database.

  4. Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III-Fe(III-Cr(III-Cl-H2O system at 25°C

    Directory of Open Access Journals (Sweden)

    André Laurent

    2018-03-01

    Full Text Available The knowledge of the thermodynamic behavior of multicomponent aqueous electrolyte systems is of main interest in geo-, and environmental-sciences. The main objective of this study is the development of a high accuracy thermodynamic model for solution behavior, and highly soluble M(IIICl3(s (M= Al, Fe, Cr minerals solubility in Na-Al(III-Cr(III-Fe(III-Cl-H2O system at 25°C. Comprehensive thermodynamic models that accurately predict aluminium, chromium and iron aqueous chemistry and M(III mineral solubilities as a function of pH, solution composition and concentration are critical for understanding many important geochemical and environmental processes involving these metals (e.g., mineral dissolution/alteration, rock formation, changes in rock permeability and fluid flow, soil formation, mass transport, toxic M(III remediation. Such a model would also have many industrial applications (e.g., aluminium, chromium and iron production, and their corrosion, solve scaling problems in geothermal energy and oil production. Comparisons of solubility and activity calculations with the experimental data in binary and ternary systems indicate that model predictions are within the uncertainty of the data. Limitations of the model due to data insufficiencies are discussed. The solubility modeling approach, implemented to the Pitzer specific interaction equations is employed. The resulting parameterization was developed for the geochemical Pitzer formalism based PHREEQC database.

  5. Two-loop renormalization in the standard model, part III. Renormalization equations and their solutions

    International Nuclear Information System (INIS)

    Actis, S.; Passarino, G.

    2006-12-01

    In part I and II of this series of papers all elements have been introduced to extend, to two loops, the set of renormalization procedures which are needed in describing the properties of a spontaneously broken gauge theory. In this paper, the final step is undertaken and finite renormalization is discussed. Two-loop renormalization equations are introduced and their solutions discussed within the context of the minimal standard model of fundamental interactions. These equations relate renormalized Lagrangian parameters (couplings and masses) to some input parameter set containing physical (pseudo-)observables. Complex poles for unstable gauge and Higgs bosons are used and a consistent setup is constructed for extending the predictivity of the theory from the Lep1 Z-boson scale (or the Lep2 WW scale) to regions of interest for LHC and ILC physics. (orig.)

  6. Two-loop renormalization in the standard model, part III. Renormalization equations and their solutions

    Energy Technology Data Exchange (ETDEWEB)

    Actis, S. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Passarino, G. [Torino Univ. (Italy). Dipt. di Fisica Teorica; INFN, Sezione di Torino (Italy)

    2006-12-15

    In part I and II of this series of papers all elements have been introduced to extend, to two loops, the set of renormalization procedures which are needed in describing the properties of a spontaneously broken gauge theory. In this paper, the final step is undertaken and finite renormalization is discussed. Two-loop renormalization equations are introduced and their solutions discussed within the context of the minimal standard model of fundamental interactions. These equations relate renormalized Lagrangian parameters (couplings and masses) to some input parameter set containing physical (pseudo-)observables. Complex poles for unstable gauge and Higgs bosons are used and a consistent setup is constructed for extending the predictivity of the theory from the Lep1 Z-boson scale (or the Lep2 WW scale) to regions of interest for LHC and ILC physics. (orig.)

  7. Gold(III) complexes with 2-substituted pyridines as experimental anticancer agents: solution behavior, reactions with model proteins, antiproliferative properties.

    Science.gov (United States)

    Maiore, Laura; Cinellu, Maria Agostina; Nobili, Stefania; Landini, Ida; Mini, Enrico; Gabbiani, Chiara; Messori, Luigi

    2012-03-01

    Gold(III) compounds form a family of promising cytotoxic and potentially anticancer agents that are currently undergoing intense preclinical investigations. Four recently synthesized and characterized gold(III) derivatives of 2-substituted pyridines are evaluated here for their biological and pharmacological behavior. These include two cationic adducts with 2-pyridinyl-oxazolines, [Au(pyox(R))Cl(2)][PF(6)], [pyox(R)=(S)-4-benzyl-2-(pyridin-2-yl)-4,5-dihydrooxazole, I; (S)-4-iso-propyl-2-(pyridin-2-yl)-4,5-dihydrooxazole, II] and two neutral complexes [Au(N,N'OH)Cl(2)], III, and [Au(N,N',O)Cl], IV, containing the deprotonated ligand N-(1-hydroxy-3-iso-propyl-2-yl)pyridine-2-carboxamide, N,N'H,OH, resulting from ring opening of bound pyox(R) ligand of complex II by hydroxide ions. The solution behavior of these compounds was analyzed. These behave as classical prodrugs: activation of the metal center typically takes place through release of the labile chloride ligands while the rest of the molecule is not altered; alternatively, activation may occur through gold(III) reduction. All compounds react eagerly with the model protein cyt c leading to extensive protein metalation. ESI MS experiments revealed details of gold-cyt c interactions and allowed us to establish the nature of protein bound metal containing fragments. The different behavior displayed by I and II compared to III and IV is highlighted. Remarkable cytotoxic properties, against the reference human ovarian carcinoma cell lines A2780/S and A2780/R were disclosed for all tested compounds with IC(50) values ranging from 1.43 to 6.18 μM in the sensitive cell line and from 1.59 to 10.86 μM in the resistant one. The common ability of these compounds to overcome cisplatin resistance is highlighted. The obtained results are thoroughly discussed in the frame of current knowledge on cytotoxic gold compounds. Copyright © 2011 Elsevier Inc. All rights reserved.

  8. Modeling of Chromium (III) Removal from Heavy Metals Mixture Solutions in Continuous Flow Systems: A Comparative Study between BDST and Yoon -Nelson Models

    International Nuclear Information System (INIS)

    Ahmed, A.Z.

    2011-01-01

    The aim of this work is to study modeling of chromium (III) removal from aqueous solution using activated carbon as adsorbent. Studies have been conducted in a continuous fixed bed packed column under different operating conditions such as bed height, flow rate, fluid velocity and fixed adsorbent particle size. The Yoon Nelson model was applied to experimental data to predict the breakthrough curves by calculating the rate constant k and 50 % breakthrough time, θ. The Bed Depth Service Time (BDST) was applied to determine BDST constant K and the capacity of adsorbent, No. Results obtained from both models are compared with the experimental breakthrough curves and a satisfactory agreement was noticed. Therefore, the Yoon - Nelson and BDST models were found suitable for determining the parameters of the column design. The Y 000 - Nelson model was found more accurate in representing the system in comparison with the BDST model although it is less complicated than other models

  9. Contemporary solutions for managing Class III malocclusion

    Directory of Open Access Journals (Sweden)

    Nathamuni Rengarajan Krishnaswamy

    2015-01-01

    Full Text Available Although patients with Class III malocclusions constitute a small percentage of the average orthodontic practice, providing them with optimal treatment is a daunting task. The treatment approach is dependent upon the growth status of the individual and the severity of the skeletal dysplasia. For growing individuals, facemask therapy to protract the maxilla is ineffective because of its dependence on dental anchorage to bring forth skeletal correction. Orthodontic camouflage in nongrowing mild skeletal Class III individuals is met with limited success because of the anatomical boundaries and the conventional biomechanics. Orthognathic surgery to correct the maxillomandibular relations is time-consuming, and the facial esthetics is compromised during the orthodontic decompensation period. Contemporary solutions to overcome these limitations are now viable with the use of temporary anchorage devices and by performing surgery prior to orthodontic decompensation. The rationale for employing these contemporary approaches will be discussed in this study with illustrative cases.

  10. Type III Einstein-Yang-Mills solutions

    NARCIS (Netherlands)

    Fuster, A.; Holten, van J.W.

    2005-01-01

    Exact solutions of Einstein equations have always attracted much attention. It is somewhat surprising to find exact solutions of such nonlinear equations. Many of them were collected in the by now classic book by Kramer et al. which has recently been revised [1]. Among others one finds the

  11. Formal solutions of inverse scattering problems. III

    International Nuclear Information System (INIS)

    Prosser, R.T.

    1980-01-01

    The formal solutions of certain three-dimensional inverse scattering problems presented in papers I and II of this series [J. Math. Phys. 10, 1819 (1969); 17 1175 (1976)] are obtained here as fixed points of a certain nonlinear mapping acting on a suitable Banach space of integral kernels. When the scattering data are sufficiently restricted, this mapping is shown to be a contraction, thereby establishing the existence, uniqueness, and continuous dependence on the data of these formal solutions

  12. Dextran solution optical activity in Tb (III) ion presence

    International Nuclear Information System (INIS)

    Vasconcellos, Sandra S.; Rodrigues, J.F.; Faljoni-Alario, A.

    1984-01-01

    Optical activity studies of aqueous solutions of dextrana in presence of Tb (III) or without it shows the complex with the hidroxyl groups of C 2 and C 3 of monomeric unit participation is formed. (L.M.J.) [pt

  13. Kinetic determination of As(III in solution

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    TODOR G. PECEV

    2003-10-01

    Full Text Available A new reaction is suggested and a new kinetic method is elaborated for the As(III traces determination in solution, on the basis of their catalyzing effect on komplexon III (EDTA oxidation by KMnO4 in a strong acid solution (H2SO4. Using a spectrophotometric technique, a sensitivity of 72 ng/cm3 As(III was achieved. The relative error of method varies from 5.5 to 13.9 % for As(III concentration range from 83 to 140 ng/cm3. Appropriate kinetic equations are formulated and the influence of some other ions, including the As(V, upon the reaction rate is tested.

  14. Evaluation of sorptive flotation technique for enhanced removal of radioactive Eu(III) from aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ezzat, Amir; Saad, Ebtissam A. [Ain Shams Univ., Cairo (Egypt). Chemistry Dept.; Mahmoud, Mamdoh R. [Atomic Energy Authority, Cairo (Egypt). Nuclear Chemistry Dept.; Soliman, Mohamed A. [Atomic Energy Authority, Cairo (Egypt). Egypt Second Research Reactor; Kandil, Abdelhakim [Helwan Univ., Cairo (Egypt). Chemistry Dept.

    2017-06-01

    The present study aims at the removal of Eu(III) from aqueous solutions by sorptive flotation process. This process involves adsorption of Eu(III) onto bentonite and kaolinite clays followed by floatation using sodium dodecyl sulfate (SDS) and cetyltrimethylammonium bromide (CTAB) collectors. The effect of adsorption parameters (pH, contact time, clay weight, Eu(III) concentration, ionic strength) as well as flotation parameters (collector and frother concentrations, bubbling time, concentrations of foreign cations and anions) on the removal efficiency of Eu(III) were studied. The obtained results show that Eu(III) ions are removed efficiently (R% ∝ 95%) at pH=4 after 1 h shaking with clay and 15 min floatation. The adsorption kinetics of Eu(III) onto the employed clays followed the pseudo-second-order model and the equilibrium data fitted well to the Freundlich isotherm model.

  15. Adsorption of gold (III) from aqueous solutions on bagasse ash

    International Nuclear Information System (INIS)

    Hussain, G.; Khan, M.A.

    2011-01-01

    To assess the potential of cheap biomass materials for the recovery of gold from industrial, and electroplating waste water effluents, adsorption of gold (III) from dilute solutions of hydrochloric acid on bagasse ash has been studied under various experimental conditions by using batch technique. Percentage extraction of gold (III) on bagasse ash was determined from its distribution coefficients as a function of contact time, pH, adsorbent, adsorbate concentrations, and temperature. The uptake of gold (III) by bagasse ash is time, pH, metal concentration, amount of adsorbate, and temperature dependent. Adsorption data have been interpreted in terms of Langmuir, and the Freundlich equations. Thermodynamic parameters for the adsorption of gold (III) on bagasse ash have been determined at three different temperatures. The positive value of heat of adsorption; delta H 44.52 kJ/mol shows that the adsorption of gold (III) on bagasse ash is endothermic where as the negative value of delta G = -0.5303 kJ/mol at 318 K shows the spontaneity of the process. Delta G becomes more negative with increase in temperature which shows that the adsorption is more favorable at higher temperatures. Under the optimal adsorption conditions the adsorption capacity of gold is 0.70 mg /g of the adsorbent out of which 0.65 mg of gold gets desorbed with 0.1 % thiourea solution. (author)

  16. Separation studies of La(III) and Ce(III)/Nd(III)/Pr(III)/Sm(III) from chloride solution using DEHPA/PC88A in petrofin

    International Nuclear Information System (INIS)

    Acharya, Sagarika; Mishra, Sujata; Bhatta, B.C.

    2017-01-01

    The separation of La(III) and four other lanthanides. Ce, Nd, Pr and Sm from chloride solution has been studied using the two acidic organophosphorous extractants, DEHPA and PC88A in petrofin at pH 4.3. The metal content analysis was done using an ICP-OES spectrophotometer. The separation factors (β) was calculated and for La-Sm pair highest value of 9.7 was obtained. (author)

  17. Adsorption characteristics of As(III) from aqueous solution on iron oxide coated cement (IOCC)

    International Nuclear Information System (INIS)

    Kundu, Sanghamitra; Gupta, A.K.

    2007-01-01

    Contamination of potable groundwater with arsenic is a serious health hazard, which calls for proper treatment before its use as drinking water. The objective of the present study is to assess the effectiveness of iron oxide coated cement (IOCC) for As(III) adsorption from aqueous solution. Batch studies were conducted to study As(III) adsorption onto IOCC at ambient temperature as a function of adsorbent dose, pH, contact time, initial arsenic concentration and temperature. Kinetics reveal that the uptake of As(III) ion is very rapid and most of fixation occurs within the first 20 min of contact. The pseudo-second order rate equation successfully described the adsorption kinetics. Langmuir, Freundlich, Redlich-Peterson (R-P), and Dubinin-Radushkevich (D-R) models were used to describe the adsorption isotherms at different initial As(III) concentrations and at 30 g l -1 fixed adsorbent dose. The maximum adsorption capacity of IOCC for As(III) determined from the Langmuir isotherm was 0.69 mg g -1 . The mean free energy of adsorption (E) calculated from the D-R isotherm was found to be 2.86 kJ mol -1 which suggests physisorption. Thermodynamic parameters indicate an exothermic nature of adsorption and a spontaneous and favourable process. The results suggest that IOCC can be suitably used for As(III) removal from aqueous solutions

  18. Arsenic removal from alkaline leaching solution using Fe (III) precipitation.

    Science.gov (United States)

    Wang, Yongliang; Lv, Cuicui; Xiao, Li; Fu, Guoyan; Liu, Ya; Ye, Shufeng; Chen, Yunfa

    2018-02-02

    The alkaline leaching solution from arsenic-containing gold concentrate contains a large amount of arsenate ions, which should be removed because it is harmful to the production process and to the environment. In this study, conventional Fe (III) precipitation was used to remove arsenic from the leaching solution. The precipitation reaction was carried out at the normal temperature, and the effects of pH value and Fe/As ratio on the arsenic removal were investigated. The results show that the removal rate of arsenic is distinctive at different pH values, and the effect is best within the pH range of 5.25-5.96. The removal rate can be further increased by increasing the ratio of Fe/As. When the pH = 5.25-5.96 and Fe/As > 1.8, the arsenic in the solution can be reduced to below 5 mg/L. However, the crystallinity of ferric arsenate is poor, and the particle size is small, most of which is about 1 μm. The leaching toxicity test shows the leaching toxicity of precipitates gradually decreased by the increase of Fe/As. The precipitates can be stored safely as the ratio of Fe/As exceeded 2.5.

  19. Iron(III) citrate speciation in aqueous solution.

    Science.gov (United States)

    Silva, Andre M N; Kong, XiaoLe; Parkin, Mark C; Cammack, Richard; Hider, Robert C

    2009-10-28

    Citrate is an iron chelator and it has been shown to be the major iron ligand in the xylem sap of plants. Furthermore, citrate has been demonstrated to be an important ligand for the non-transferrin bound iron (NTBI) pool occurring in the plasma of individuals suffering from iron-overload. However, ferric citrate chemistry is complicated and a definitive description of its aqueous speciation at neutral pH remains elusive. X-Ray crystallography data indicates that the alcohol function of citrate (Cit4-) is involved in Fe(III) coordination and that deprotonation of this functional group occurs upon complex formation. The inability to include this deprotonation in the affinity constant calculations has been a major source of divergence between various reports of iron(III)-citrate affinity constants. However the recent determination of the alcoholic pKa of citric acid (H4Cit) renders the reassessment of the ferric citrate system possible. The aqueous speciation of ferric citrate has been investigated by mass spectrometry and EPR spectroscopy. It was observed that the most relevant species are a monoiron dicitrate species and dinuclear and trinuclear oligomeric complexes, the relative concentration of which depends on the solution pH value and the iron : citric acid molar ratio. Spectrophotometric titration was utilized for affinity constant determination and the formation constant for the biologically relevant [Fe(Cit)2]5- is reported for the first time.

  20. Arsenic (III Adsorption Using Palladium Nanoparticles from Aqueous Solution

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    Farzaneh Arsiya

    2017-07-01

    Full Text Available The presence of Arsenic in drinking water is the greatest threat to health effects especially in water. The purpose of this study is application of green palladium nanoparticles for removal of trivalent Arsenic from aqueous solutions and also the impact of some factors such as retention time, pH, concentration of palladium nanoparticles and Arsenic concentrations was studied. The values for Arsenic removal from aqueous solutions were measured by furnace atomic adsorption spectrometry (Conter AA700. In the study, Langmuir and Freundlich isotherm models and pseudo-second order kinetic model were studied. The results of  optimization is shown that 0.5 g of nanoparticles can removed %99.8 of Arsenic with initial concentration of  0.5 g/l, in 5 minutes at pH=4. Langmuir model, Freundlich model (R2=0.94 and pseudo-second order kinetic model (R2=0.99 shown high correlation for removing of Arsenic from aqueous solutions. It was found, palladium nanoparticles can be used as an efficient method to remove Arsenic from aqueous solutions in a short time.

  1. Adsorption of Cr(III) from Aqueous Solution using Borax Sludge.

    Science.gov (United States)

    Senberber, Fatma Tugce; Yildirim, Meral; Mermer, Nevin Karamahmut; Derun, Emek Moroydor

    2017-09-01

    Borax sludge is the waste produced by a trommel sieve in the borax production process and is used as an adsorbent for Cr(III) removal. The effects of various parameters, including pH, initial Cr(III) concentration and contact time were investigated for batch adsorption of Cr(III). The experimental results obtained were applied to different adsorption isotherms and kinetic models. The results indicated that the Temkin isotherm (R2 = 0.9749) was most suitable to explain the adsorption characteristics of borax sludge, and the removal of Cr(III) was achieved by a physisorption process. The overall kinetic data fitted the pseudo-second order rate model (R2 = 0.9990). According to thermodynamic studies, which were carried out at different temperatures, changes in enthalpy (ΔH) and entropy (ΔS) values for Cr(III) adsorption by borax sludge were determined to be 69.395 kJ/mol and 0.276 kJ/mol K, respectively. The study implied that borax sludge could be used as an alternative adsorbent in the adsorption of Cr(III) from aqueous solutions.

  2. Elastic stars in general relativity: III. Stiff ultrarigid exact solutions

    International Nuclear Information System (INIS)

    Karlovini, Max; Samuelsson, Lars

    2004-01-01

    We present an equation of state for elastic matter which allows for purely longitudinal elastic waves in all propagation directions, not just principal directions. The speed of these waves is equal to the speed of light whereas the transversal type speeds are also very high, comparable to but always strictly less than that of light. Clearly such an equation of state does not give a reasonable matter description for the crust of a neutron star, but it does provide a nice causal toy model for an extremely rigid phase in a neutron star core, should such a phase exist. Another reason for focusing on this particular equation of state is simply that it leads to a very simple recipe for finding stationary rigid motion exact solutions to the Einstein equations. In fact, we show that a very large class of stationary spacetimes with constant Ricci scalar can be interpreted as rigid motion solutions with this matter source. We use the recipe to derive a static spherically symmetric exact solution with constant energy density, regular centre and finite radius, having a nontrivial parameter that can be varied to yield a mass-radius curve from which stability can be read off. It turns out that the solution is stable down to a tenuity R/M slightly less than 3. The result of this static approach to stability is confirmed by a numerical determination of the fundamental radial oscillation mode frequency. We also present another solution with outwards decreasing energy density. Unfortunately, this solution only has a trivial scaling parameter and is found to be unstable

  3. SIMMER-III analytic thermophysical property model

    International Nuclear Information System (INIS)

    Morita, K; Tobita, Y.; Kondo, Sa.; Fischer, E.A.

    1999-05-01

    An analytic thermophysical property model using general function forms is developed for a reactor safety analysis code, SIMMER-III. The function forms are designed to represent correct behavior of properties of reactor-core materials over wide temperature ranges, especially for the thermal conductivity and the viscosity near the critical point. The most up-to-date and reliable sources for uranium dioxide, mixed-oxide fuel, stainless steel, and sodium available at present are used to determine parameters in the proposed functions. This model is also designed to be consistent with a SIMMER-III model on thermodynamic properties and equations of state for reactor-core materials. (author)

  4. Processing of indium (III solutions via ion exchange with Lewatit K-2621 resin

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    López Díaz-Pavón, Adrián

    2014-06-01

    Full Text Available The processing of indium(III-hydrochloric acid solutions by the cationic ion exchange Lewatit K-2621 resin has been investigated. The influence of several variables such as the hydrochloric acid and metal concentrations in the aqueous solution and the variation of the amount of resin added has been studied. Moreover, a kinetic study performed in the uptake of indium(III by Lewatit K-2621, shows that either the film-diffusion and the particle-diffusion models fit the ion exchange process onto the resin, depending upon the initial metal concentration in the aqueous solution. The loaded resin could be eluted by HCl solutions at 20 °C.Se ha investigado el tratamiento de disoluciones de ácido clorhídrico conteniendo indio(III mediante la resina de cambio catiónico Lewatit K-2621. Las variables ensayadas han sido las concentraciones de ácido y de metal en la disolución acuosa y la cantidad de resina empleada en el tratamiento de dichas disoluciones. Asimismo, se ha llevado a cabo un estudio cinético del proceso de intercambio catiónico entre el indio(III y la resina Lewatit K-2621. Este estudio muestra que el proceso de intercambio responde a un mecanismo de difusión en la disolución o en la partícula de resina dependiendo de la concentración inicial del metal en el medio acuoso. El metal cargado en la resina puede ser eluido con disoluciones de ácido clorhídrico a 20 °C.

  5. Biosorption kinetics of Cd (II), Cr (III) and Pb (II) in aqueous solutions by olive stone

    OpenAIRE

    M. Calero; F. Hernáinz; G. Blázquez; M. A. Martín-Lara; G. Tenorio

    2009-01-01

    A by-product from olive oil production, olive stone, was investigated for the removal of Cd (II), Cr (III) and Pb (II) from aqueous solutions. The kinetics of biosorption are studied, analyzing the effect of the initial concentration of metal and temperature. Pseudo-first-order, pseudo-second-order, Elovich and intraparticle diffusion models have been used to represent the kinetics of the process and obtain the main kinetic parameters. The results show that the pseudo-second order model is th...

  6. Glass composition and solution speciation effects on stage III dissolution

    Energy Technology Data Exchange (ETDEWEB)

    Trivelpiece, Cory L. [Pennsylvania State Univ., University Park, PA (United States); Rice, Jarret A. [Pennsylvania State Univ., University Park, PA (United States); Pantano, Carlo G. [Pennsylvania State Univ., University Park, PA (United States)

    2017-10-03

    To understand and mitigate the onset of Stage III corrosion of multicomponent oxides waste glasses. Stage III refers to a resumption of the high initial rate of glass dissolution in some glass samples that have otherwise exhibited dissolution at the much lower residual rate for a long time (Stage II). Although the onset of Stage III is known to occur concurrently with the precipitation of particular alteration products, the root cause of the transition is still unknown. Certain glass compositions (notably AFCI) and high pH environmental conditions are also associated with this observed transition.

  7. Glass composition and solution speciation effects on stage III dissolution

    International Nuclear Information System (INIS)

    Trivelpiece, Cory L.; Rice, Jarret A.; Pantano, Carlo G.

    2017-01-01

    To understand and mitigate the onset of Stage III corrosion of multicomponent oxides waste glasses. Stage III refers to a resumption of the high initial rate of glass dissolution in some glass samples that have otherwise exhibited dissolution at the much lower residual rate for a long time (Stage II). Although the onset of Stage III is known to occur concurrently with the precipitation of particular alteration products, the root cause of the transition is still unknown. Certain glass compositions (notably AFCI) and high pH environmental conditions are also associated with this observed transition.

  8. CHROMIUM (III ADSORPTION FROM AQUEOUS SOLUTION BY Rhizophora apiculata TANNINS

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    C. W. Oo

    2010-06-01

    Full Text Available Adsorption of Cr3+ from aqueous solution by Rhizophora apiculata tannins was investigated in batch shaking experiments. Tannins extracted from R. apiculata mangrove barks was chemically modified with formaldehyde in the basic solution of sodium hydroxide. The performance of the produced adsorbent on the adsorption of Cr3+ was evaluated based on the effect of several parameters like initial pH, adsorbent dosage, initial Cr3+ concentration and contact time. Equilibrium adsorption data was analyzed by Langmuir, Freundlich, Sips and Dubinin-Raduskhevich (D-R isotherms. The fitness of the isotherms to the experimental data was determined by non-linear regression analysis. Adsorption capacity calculated from Langmuir isotherm was found to be 10.14 mg Cr3+/g of adsorbent at optimum adsorption pH of 4.5. Mean energy of adsorption with the value of 10.35 kJ/mol indicated that adsorption Cr3+ on Rhizophora apiculata tannins followed ion-exchange reaction. Kinetic study showed that the adsorption process followed the pseudo second-order kinetic model.   Keywords:  Rhizophora apiculata, tannins, isotherms, kinetic, chromium.

  9. Bianchi VI0 and III models: self-similar approach

    International Nuclear Information System (INIS)

    Belinchon, Jose Antonio

    2009-01-01

    We study several cosmological models with Bianchi VI 0 and III symmetries under the self-similar approach. We find new solutions for the 'classical' perfect fluid model as well as for the vacuum model although they are really restrictive for the equation of state. We also study a perfect fluid model with time-varying constants, G and Λ. As in other studied models we find that the behaviour of G and Λ are related. If G behaves as a growing time function then Λ is a positive decreasing time function but if G is decreasing then Λ 0 is negative. We end by studying a massive cosmic string model, putting special emphasis in calculating the numerical values of the equations of state. We show that there is no SS solution for a string model with time-varying constants.

  10. Stellar model chromospheres. III - Arcturus /K2 III/

    Science.gov (United States)

    Ayres, T. R.; Linsky, J. L.

    1975-01-01

    Models are constructed for the upper photosphere and chromosphere of Arcturus based on the H, K, and IR triplet lines of Ca II and the h and k lines of Mg II. The chromosphere model is derived from complete redistribution solutions for a five-level Ca II ion and a two-level Mg II ion. A photospheric model is derived from the Ca II wings using first the 'traditional' complete-redistribution limit and then the more realistic partial-redistribution approximation. The temperature and mass column densities for the temperature-minimum region and the chromosphere-transition region boundary are computed, and the pressure in the transition region and corona are estimated. It is found that the ratio of minimum temperature to effective temperature is approximately 0.77 for Arcturus, Procyon, and the sun, and that mass tends to increase at the temperature minimum with decreasing gravity. The pressure is found to be about 1 percent of the solar value, and the surface brightness of the Arcturus transition region and coronal spectrum is estimated to be much less than for the sun. The partial-redistribution calculation for the Ca II K line indicates that the emission width is at least partially determined by damping rather than Doppler broadening, suggesting a reexamination of previous explanations for the Wilson-Bappu effect.

  11. Impurity effect of iron(III) on the growth of potassium sulfate crystal in aqueous solution

    Science.gov (United States)

    Kubota, Noriaki; Katagiri, Ken-ichi; Yokota, Masaaki; Sato, Akira; Yashiro, Hitoshi; Itai, Kazuyoshi

    1999-01-01

    Growth rates of the {1 1 0} faces of a potassium sulfate crystal were measured in a flow cell in the presence of traces of impurity Fe(III) (up to 2 ppm) over the range of pH=2.5-6.0. The growth rate was significantly suppressed by the impurity. The effect became stronger as the impurity concentration was increased and at pH5 it finally disappeared completely. The concentration and supersaturation effects on the impurity action were reasonably explained with a model proposed by Kubota and Mullin [J. Crystal Growth, 152 (1995) 203]. The surface coverage of the active sites by Fe(III) is estimated to increase linearly on increasing its concentration in solution in the range examined by growth experiments. The impurity effectiveness factor is confirmed to increase inversely proportional to the supersaturation as predicted by the model. Apart from the discussion based on the model, the pH effect on the impurity action is qualitatively explained by assuming that the first hydrolysis product of aqua Fe(III) complex compound, [Fe(H 2O) 5(OH)] 2+, is both growth suppression and adsorption active, but the second hydrolysis product, [Fe(H 2O) 4(OH) 2] +, is only adsorption active.

  12. Biosorption kinetics of Cd (II, Cr (III and Pb (II in aqueous solutions by olive stone

    Directory of Open Access Journals (Sweden)

    M. Calero

    2009-06-01

    Full Text Available A by-product from olive oil production, olive stone, was investigated for the removal of Cd (II, Cr (III and Pb (II from aqueous solutions. The kinetics of biosorption are studied, analyzing the effect of the initial concentration of metal and temperature. Pseudo-first-order, pseudo-second-order, Elovich and intraparticle diffusion models have been used to represent the kinetics of the process and obtain the main kinetic parameters. The results show that the pseudo-second order model is the one that best describes the biosorption of the three metal ions for all the range of experimental conditions investigated. For the three metal ions, the maximum biosoption capacity and the initial biosorption rate increase when the initial metal concentration rises. However, the kinetic constant decreases when the initial metal concentration increases. The temperature effect on biosorption capacity for Cd (II and Cr (III is less significant; however, for Pb (II the effect of temperature is more important, especially when temperature rises from 25 to 40ºC. The biosorption capacity at mmol/g of olive stone changes in the following order: Cr>Cd>Pb. Thus, for an initial concentration of 220 mg/ℓ, a maximum sorption capacity of 0.079 mmol/g for Cr (III, 0.065 mmol/g for Cd (II and 0.028 mmol/g for Pb (II has been obtained.

  13. Sparkle/PM3 for the modeling of europium(III), gadolinium(III), and terbium(III) complexes

    International Nuclear Information System (INIS)

    Freire, Ricardo O.; Rocha, Gerd B.; Simas, Alfredo M.

    2009-01-01

    The Sparkle/PM3 model is extended to europium(III), gadolinium(III), and terbium(III) complexes. The validation procedure was carried out using only high quality crystallographic structures, for a total of ninety-six Eu(III) complexes, seventy Gd(III) complexes, and forty-two Tb(III) complexes. The Sparkle/PM3 unsigned mean error, for all interatomic distances between the trivalent lanthanide ion and the ligand atoms of the first sphere of coordination, is: 0.080 A for Eu(III); 0.063 A for Gd(III); and 0.070 A for Tb(III). These figures are similar to the Sparkle/AM1 ones of 0.082 A, 0.061 A, and 0.068 A respectively, indicating they are all comparable parameterizations. Moreover, their accuracy is similar to what can be obtained by present-day ab initio effective core potential full geometry optimization calculations on such lanthanide complexes. Finally, we report a preliminary attempt to show that Sparkle/PM3 geometry predictions are reliable. For one of the Eu(III) complexes, BAFZEO, we created hundreds of different input geometries by randomly varying the distances and angles of the ligands to the central Eu(III) ion, which were all subsequently fully optimized. A significant trend was unveiled, indicating that more accurate local minima geometries cluster at lower total energies, thus reinforcing the validity of sparkle model calculations. (author)

  14. Adsorption Behaviour of La(III and Eu(III Ions from Aqueous Solutions by Hydroxyapatite: Kinetic, Isotherm, and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    F. Granados-Correa

    2013-01-01

    Full Text Available The hydroxyapatite was successfully synthesized, characterized, and used as an alternative low-cost adsorbent material to study the adsorption behavior of La(III and Eu(III ions from nitrate aqueous solutions as a function of contact time, initial metal ion concentration, pH, and temperature by using a bath technique. The kinetic data correspond very well to the pseudo-second-order equation, and in both cases the uptake was affected by intraparticle diffusion. Isotherm adsorption data were well fitted by the Freundlich model equation with 1/n>1, indicating a multilayer and cooperative-type adsorption. Thermodynamic parameters for the adsorption systems were determinated at 293, 303, 313, and 323 K. These parameters show that adsorptions of La(III and Eu(III ions on hydroxyapatite are endothermic and spontaneous processes. The adsorption was found to follow the order Eu(III > La(III and is dependent on ion concentration, pH, and temperature.

  15. Electrosorption of As(III) in aqueous solutions with activated carbon as the electrode

    Science.gov (United States)

    Dai, Min; Xia, Ling; Song, Shaoxian; Peng, Changsheng; Rangel-Mendez, Jose Rene; Cruz-Gaona, Roel

    2018-03-01

    The electrosorption of As(III) in aqueous solutions by using activated carbon (AC) as the electrode was studied in this work. This study was performed through the measurements of adsorption and desorption, Cyclic Voltammetry (CV), Electrochemical Impedance Spectroscopy (EIS) and X-ray photoelectron spectra (XPS). Three parameters, applied voltage, solution pH and initial As(III) concentration, on the electrosoprtion of As(III) were investigated. The experimental results have demonstrated that the electrosorption followed three steps: migration of As(III) to the anode, oxidation of As(III) to As(V) and accumulation of As(V) in the electric double layers of the anode. The electrodorption capacity increased with increasing applied voltage and initial As(III) concentration, whereas the effect of pH was complicated for the variation of arsenite species and the competition of OH-. The oxidation of As(III) increased with the increasing voltage and pH due to the increasing redox potential acted on As(III). The electrosorption served to reduce the toxicity of arsenic and was a promising technology for As(III) removal from water.

  16. Quantitative risk analysis of the pipeline GASDUC III - solutions

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Edmilson P.; Bettoni, Izabel Cristina [PETROBRAS, Rio de Janeiro, RJ (Brazil)

    2009-07-01

    In this work the quantitative risks analysis to the external public of the Pipeline Cabiunas - REDUC (GASDUC III), with 180 km, linking the municipalities of Macae and Duque de Caxias - RJ was performed by the Companies PETROBRAS and ITSEMAP do Brasil. In addition to the large diameter of the pipeline 38 inches and high operation pressure 100 kgf/cm{sup 2} operating with natural gas through several densely populated areas. Initially, the individual risk contours were calculated without considering mitigating measures, obtaining as result the individual risk contour with frequencies of 1x10{sup -06} per year involving sensitive occupations and therefore considered unacceptable when compared with the INEA criterion. The societal risk was calculated for eight densely populated areas and their respective FN-curves situated below the advised limit established by INEA, except for two areas that required the proposal of additional mitigating measures to the reduction of societal risk. Regarding to societal risk, the FN-curve should be below the advised limit presented in the Technical Instruction of INEA. The individual and societal risk were reassessed incorporating some mitigating measures and the results situated below the advised limits established by INEA and PETROBRAS has obtained the license for installation of the pipeline. (author)

  17. Formal Solutions for Polarized Radiative Transfer. III. Stiffness and Instability

    Science.gov (United States)

    Janett, Gioele; Paganini, Alberto

    2018-04-01

    Efficient numerical approximation of the polarized radiative transfer equation is challenging because this system of ordinary differential equations exhibits stiff behavior, which potentially results in numerical instability. This negatively impacts the accuracy of formal solvers, and small step-sizes are often necessary to retrieve physical solutions. This work presents stability analyses of formal solvers for the radiative transfer equation of polarized light, identifies instability issues, and suggests practical remedies. In particular, the assumptions and the limitations of the stability analysis of Runge–Kutta methods play a crucial role. On this basis, a suitable and pragmatic formal solver is outlined and tested. An insightful comparison to the scalar radiative transfer equation is also presented.

  18. Kinetic and thermodynamic aspects of Cu(II) and Cr(III) removal from aqueous solutions using rose waste biomass

    International Nuclear Information System (INIS)

    Iftikhar, Abdur Rauf; Bhatti, Haq Nawaz; Hanif, Muhammad Asif; Nadeem, Razyia

    2009-01-01

    Distillation waste of rose petals was used to remove Cu(II) and Cr(III) from aqueous solutions. The results demonstrated the dependency of metal sorption on pH, sorbent dose, sorbent size, initial bulk concentration, time and temperature. A dosage of 1 g/L of rose waste biomass was found to be effective for maximum uptake of Cu(II) and Cr(III). Optimum sorption temperature and pH for Cu(II) and Cr(III) were 303 ± 1 K and 5, respectively. The Freundlich regression model and pseudo-second-order kinetic model were resulted in high correlation coefficients and described well the sorption of Cu(II) and Cr(III) on rose waste biomass. At equilibrium q max (mg/g) of Cu(II) and Cr(III) was 55.79 and 67.34, respectively. The free energy change (ΔG o ) for Cu(II) and Cr(III) sorption process was found to be -0.829 kJ/mol and -1.85 kJ/mol, respectively, which indicates the spontaneous nature of sorption process. Other thermodynamic parameters such as entropy change (ΔS o ), enthalpy (ΔH o )and activation energy (ΔE) were found to be 0.604 J mol -1 K -1 , -186.95 kJ/mol and 68.53 kJ/mol, respectively for Cu(II) and 0.397 J mol -1 K -1 , -119.79 kJ/mol and 114.45 kJ/mol, respectively for Cr(III). The main novelty of this work was the determination of shortest possible sorption time for Cu(II) and Cr(III) in comparison to earlier studies. Almost over 98% of Cu(II) and Cr(III) were removed in only first 20 min at an initial concentration of 100 mg/L

  19. An extended NSGA-III for solution multi-objective hydro-thermal-wind scheduling considering wind power cost

    International Nuclear Information System (INIS)

    Yuan, Xiaohui; Tian, Hao; Yuan, Yanbin; Huang, Yuehua; Ikram, Rana M.

    2015-01-01

    Highlights: • Multi-objective hydro-thermal-wind scheduling model (MO-HTWS) is establish. • The extra cost in MO-HTWS problem caused by wind uncertainty is considered. • An extended NSGA-III is proposed to solve MO-HTWS problem. • Constraint handling strategies are presented to modify infeasible solutions. • The feasibility and effectiveness of the proposed method is verified by example. - Abstract: Due to the characteristics of clean and renewable, wind power is significant to economic and environmental operation of electric power system so that it attracts more and more attention from researchers. This paper integrates wind power with hydrothermal scheduling to establish multi-objective economic emission hydro-thermal-wind scheduling problem (MO-HTWS) model with considering wind uncertain cost. To solve MO-HTWS problem with various complicated constraints, this paper extends NSGA-III by introducing the dominance relationship criterion based on constraint violation to select new generation. Moreover, the constraint handling strategy which repairs the infeasible solutions by modifying the decision variables in feasible zone according to the violation amount is proposed. Finally, a daily scheduling example of hydro-thermal-wind system is used to test the ability of NSGA-III for solving MO-HTWS problem. It is concluded from the superior quality and good distribution of the Pareto optimal solutions that, NSGA-III can offer an efficient alternative for optimizing MO-HTWS problem

  20. Carbon-13 magnetic relaxation rates or iron (III) complexes of some biogenic amines and parent compounds in aqueous solutions

    International Nuclear Information System (INIS)

    Lai, A.; Monduzzi, M.; Saba, G.

    1980-01-01

    Spin-lattice relaxation rates (R 1 ) from naturally occuring C-13 F.T. N.M.R. spectra of some catecholamines and parent compounds with Iron(III) at pD = 4 were determined in order to elucidate the molecular mechanism underlying their association in aqueous solutions. Complexation was observed only for catecholic ligands. The R 1 values were used to calculate iron-carbon scaled distances, and two complexation models were proposed where the catecholic function binds Fe(III) in the first and second coordination spheres respectively. The latter case was shown to be the consistent with the molecular geometries. (orig.)

  1. Kinetics of electrophilic substitution of neodymium(III) by ytterbium(III) in aqueous solutions of ethylenediamintetraacetate and cyclohexanediaminetetraacetate

    International Nuclear Information System (INIS)

    Nikitenko, S.I.; Martynenko, L.I.; Pechurova, N.I.; Spitsyn, V.I.

    1982-01-01

    The kinetics of electrophilic substitution in systems containing rare earth element ions (REE) and Komplexon [tetrasodium ethylenediaminetetraacetate] have been studied little. At the same time, information about the mechanism of exchange is not only of theoretical interest but is important for the optimization of processes for separating and purifying REE. Least studied of all has been the mutual exchange in Komplexonate ions of light and heavy REE, although it is precisely the kinetics of exchange of different kinds of REE ions that primarily determines the effectiveness of the separation of their mixtures. We have studied electrophilic substitution in the case of the replacement of neodymium(III) by ytterbium(III) in solutions containing NdL - and Yb 3 + , where L 4 - and D 4 -

  2. Extraction mechanism of Sc(III) from sulphuric acid solution by primary amine N1923

    International Nuclear Information System (INIS)

    Le Shaoming; Li Deqian; Ni Jiazan

    1987-01-01

    The extraction mechanism of Sc(III) from sulphuric acid solution by primary amine N 1923 (RNH 2 ) has been investigated by means of slope, isomolar continuous variation and saturation methods. The effect of temperature on the extraction of Sc(III) is observed. The extraction equilibrium constant and thermodynamic functions (ΔH, ΔS and ΔG) are obtained. The IR and NMR of extracted compound are measured

  3. Extraction of lanthanide(III) nitrates from water-salt solutions with n.-octanol

    International Nuclear Information System (INIS)

    Keskinov, V.A.; Kudrova, A.V.; Valueva, O.V.; Pyartman, A.K.

    2004-01-01

    Extraction of lanthanide(III) nitrates (Ln=La-Nd, Sm-Gd) from aqueous-salt solutions at 298.15 K was studied using solution of n.-octanol, its concentration 6.31 mol/l. It was ascertained that at Ln(NO 3 ) 3 concentration in aqueous phase below 0.6 mol/l, there is actually no extraction. At higher concentrations of nitrates in aqueous phase the content of lanthanides(III) in organic phase increases in the series La-Gd. Isotherms of extraction were ascertained, its phase equilibria being described mathematically. It is shown that extraction of lanthanide(III) nitrates with n.-octanol should be realized from concentrated aqueous solutions [ru

  4. Direct spectrophotometric analysis of low level Pu (III) in Pu(IV) nitrate solution

    International Nuclear Information System (INIS)

    Mageswaran, P.; Suresh Kumar, K.; Kumar, T.; Gayen, J.K.; Shreekumar, B.; Dey, P.K.

    2010-01-01

    Among the various methods demonstrated for the conversion of plutonium nitrate to its oxide, the oxalate precipitation process either as Pu (III) or Pu (IV) oxalate gained wide acceptance. Since uranous nitrate is the most successful partitioning agent used in the PUREX process for the separation of Pu from the bulk amount of U, the Pu (III) oxalate precipitation of the purified nitrate solution will not give required decontamination from U. Hence Pu IV oxalate precipitation process is a better option to achieve the end user's specified PuO 2 product. Prior to the precipitation process, ensuring of the Pu (IV) oxidation state is essential. Hence monitoring of the level of Pu oxidation state either Pu (III) or Pu (IV) in the feed solution plays a significant role to establish complete conversion of Pu (III). The method in vogue to estimate Pu(lV) content is extractive radiometry using Theonyl Trifluoro Acetone (TTA). As the the method warrants a sample preparation with respect to acidity, a precise measurement of Pu (IV) without affecting the Pu(III) level in the feed sample is difficult. Present study is focused on the exploration of direct spectrophotometry using an optic fiber probe of path length of 40mm to monitor the low level of Pu(III) after removing the bulk Pu(lV) which interfere in the Pu(III) absorption spectrum, using TTA-TBP synergistic mixture without changing the sample acidity

  5. Sorption of Cr(III) ion from aqueous solution by two kinds of modified diatomite.

    Science.gov (United States)

    Li, Er; Zeng, Xiangying

    2012-01-01

    Raw diatomite modified by microemulsion (DMM) and manganese oxide (MnD) were used for the removal of Cr(III) ions from aqueous solution. The characteristics and performance of these two types of modified diatomite on Cr(III) ion adsorption were compared. The results indicate that the Cr(III) ion adsorption capacities of diatomite were considerably improved after modifications by manganese oxide (MnO) and microemulsion. The surface area of MnD was increased because of the formation of MnO on the diatomite surface, and that of DMM was promoted owing to the existence of the hydrolyzed aromatic acid. Because of the stronger surface ionized function, the adsorption performance of Cr(III) ions in DMM was better than that in MnD. Within the experimental range of pH (i.e. 2.2-6.3), the Cr(III) ion removal of DMM (35-70%) was higher than that of MnD (33-59%) owing to the different electrostatic forces between the Cr(III) ion and the surface of the modified diatomite. The Cr(III) ion removal in MnD and DMM was improved with the increase of synthetic solution concentration in volumes from 0 to 2,500 mL.

  6. Argonne Bubble Experiment Thermal Model Development III

    Energy Technology Data Exchange (ETDEWEB)

    Buechler, Cynthia Eileen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2018-01-11

    This report describes the continuation of the work reported in “Argonne Bubble Experiment Thermal Model Development” and “Argonne Bubble Experiment Thermal Model Development II”. The experiment was performed at Argonne National Laboratory (ANL) in 2014. A rastered 35 MeV electron beam deposited power in a solution of uranyl sulfate, generating heat and radiolytic gas bubbles. Irradiations were performed at beam power levels between 6 and 15 kW. Solution temperatures were measured by thermocouples, and gas bubble behavior was recorded. The previous report2 described the Monte-Carlo N-Particle (MCNP) calculations and Computational Fluid Dynamics (CFD) analysis performed on the as-built solution vessel geometry. The CFD simulations in the current analysis were performed using Ansys Fluent, Ver. 17.2. The same power profiles determined from MCNP calculations in earlier work were used for the 12 and 15 kW simulations. The primary goal of the current work is to calculate the temperature profiles for the 12 and 15 kW cases using reasonable estimates for the gas generation rate, based on images of the bubbles recorded during the irradiations. Temperature profiles resulting from the CFD calculations are compared to experimental measurements.

  7. A Moessbauer study on the photolysis of potassium trisoxalatoferrate(III) in solid and solutions

    International Nuclear Information System (INIS)

    Sato, H.; Tominaga, T.

    1977-01-01

    The photolysis of potassium trisoxalatoferrate(III) in solid and aqueous solutions was studied by Moessbauer spectroscopy. A ferrous species was mainly detected as an intermediate product in the photoirradiated solutions. A tentative mechanism was proposed for the overall reactions in and after the photolysis of this compound. The Moessbauer spectra were measured with a Hitachi AA-40 or Shimadzu MEG-2 Moessbauer spectrometer against Co-57 in copper foil. Acrylic holders (32 mm in diameter) were used for measurements of solutions: the irradiated solution was quickly frozen before measurement by adding it dropwise into the acrylic holder which had been cooled with liquid nitrogen or dry-ice. (T.I.)

  8. Pulse-radiolytic investigation of the reduction of titanium(III) ions in aqueous solutions

    International Nuclear Information System (INIS)

    Micic, O.I.; Nenadovic, M.T.

    1979-01-01

    The absorption spectrum and decay kinetics of intermediates formed by the reaction of titanium(III) ions with H atoms, hydrated electrons, and carboxyl radicals have been studied in aqueous solution using the pulse-radiolysis technique. The product of the reaction with H atoms in acid solution is a Ti 3+ -H hydride intermediate which decomposes by a first-order process with a half-life of ca. 3 s. Titanium(II) is formed by reaction with hydrated electrons and CO 2 H radicals. The absorption spectrum of titanium(II) and the kinetics of its reactions are reported and discussed. The formation of molecular hydrogen by reaction of Ti 2+ with water is suppressed by the other solutes in the solutions. Titanium(III) reacts with CO 2 H, CH 2 CO 2 H, and CH(CO 2 H) 2 radicals to give titanium-radical complexes. (author)

  9. Sulphate analysis in uranium leach iron(III) chloride solutions by inductively coupled argon plasma spectrometry

    International Nuclear Information System (INIS)

    Nirdosh, I.; Lakhani, S.; Yunus, M.Z.M.

    1993-01-01

    Inductively coupled Argon Plasma Spectrometry is used for the indirect determination of sulphate in iron(III) chloride leach solution of Elliot Lake uranium ores via addition of a known amount of barium ions and analyzing for excess of barium. The ore contains ∼ 7 wt% pyrite, FeS 2 , as the major mineral which oxidizes to generate sulphate during leaching with Fe(III). The effects of pH, the concentrations of Fe(III) and chloride ions and for presence of ethanol in the test samples on the accuracy of analysis are studied. It is found that unlike the Rhodizonate method, removal of iron(III) from or addition of ethanol to the test sample prior to analysis are not required. Linear calibration curves are obtained. (author)

  10. Moessbauer studies of iron(III)-(indole-3-alkanoic acids) systems in frozen aqueous solutions

    International Nuclear Information System (INIS)

    Kovacs, K.; Kuzmann, E.; Homonnay, Z.; Szilagyi, P.A.; Vertes, A.; Kamnev, A.A.; Sharma, V.K.

    2005-01-01

    Moessbauer investigations of iron(III) salts in aqueous solutions in the presence of indole-3-alkanoic acid ligands are described. The measurements showed two parallel reactions between the ligands and ferric ions: a complex formation and a redox process. The oxidation process takes place in the ligands, and a part of Fe 3+ is reduced to Fe 2+ . (author)

  11. Balancing redox equations: reaction of Cr(III) and chlorate in basic solution.

    OpenAIRE

    Milla González, Miguel

    2011-01-01

    This file is an interactive exercise on balancing of redox reactions. The redox system consists of the Cr(III) oxidation by means of the action of chlorate anion in basic solution. In these circumstances, Cr(III) exists as the Cr(OH)3 green precipitate. After finding out the oxidation states of the species involved, the user must write the equations of the half-reactions for both processes. A counter of atoms and charges makes this task easy and four possible ways of balancing are possible...

  12. Hydrolysis-precipitation studies of aluminum (III) solutions. I. Titration of acidified aluminum nitrate solutions

    NARCIS (Netherlands)

    Vermeulen, A.C.; Geus, John W.; Stol, R.J.; Bruyn, P.L. de

    Acidified aluminum nitrate solutions were titrated with alkali (NaOH or KOH) over a temperature range of 24°C to 90°C. A homogeneous distribution of added base was achieved by: (i) in situ decomposition of urea (90°C); and (ii) a novel method involving injection through a capillary submerged in the

  13. Fe(III)-solar light induced degradation of diethyl phthalate (DEP) in aqueous solutions.

    Science.gov (United States)

    Mailhot, G; Sarakha, M; Lavedrine, B; Cáceres, J; Malato, S

    2002-11-01

    The degradation of diethyl phthalate (DEP) photoinduced by Fe(III) in aqueous solutions has been investigated under solar irradiation in the compound parabolic collector reactor at Plataforma Solar de Almeria. Hydroxyl radicals *OH, responsible of the degradation, are formed via an intramolecular photoredox process in the excited state of Fe(III) aquacomplexes. The primary step of the reaction is mainly due to the attack of *OH radicals on the aromatic ring. For prolonged irradiations DEP and its photoproducts are completely mineralized due to the regeneration of the absorbing species and the continuous formation of *OH radicals that confers a catalytic aspect to the process. Consequently, the degradation photoinduced by Fe(III) could be an efficient method of DEP removal from water.

  14. Adsorption of Rh(III) complexes from chloride solutions obtained by leaching chlorinated spent automotive catalysts on ion-exchange resin Diaion WA21J

    International Nuclear Information System (INIS)

    Shen Shaobo; Pan Tonglin; Liu Xinqiang; Yuan Lei; Wang Jinchao; Zhang Yongjian; Guo Zhanchen

    2010-01-01

    It was found that Rh, Pd and Pt contained in the spent ceramic automotive catalysts could be effectively extracted by dry chlorination with chlorine. In order to concentrate Rh(III) ions contained in the chloride solutions obtained, thermodynamic and kinetics studies for adsorption of Rh(III) complexes from the chloride solutions on an anionic exchange resin Diaion WA21J were carried out. Rh, Pd, Pt, Al, Fe, Si, Zn and Pb from the chloride solution could be adsorbed on the resin. The distribution coefficients (K d ) of Rh(III) decreased with the increase in initial Rh(III) concentration or in adsorption temperature. The isothermal adsorption of Rh(III) was found to fit Langmuir, Freundlich and Dubinin-Kaganer-Radushkevich models under the adsorption conditions. The maximum monolayer adsorption capacities Q max based on Langmuir adsorption isotherms were 6.39, 6.61 and 5.81 mg/g for temperatures 18, 28 and 40 deg. C, respectively. The apparent adsorption energy of Rh was about -7.6 kJ/mol and thus Rh(III) adsorption was a physical type. The experimental data obtained could be better simulated by pseudo-first-order kinetic model and the activation energy obtained was 6.54 J/mol. The adsorption rate of Rh(III) was controlled by intraparticle diffusion in most of time of adsorption process.

  15. Enhanced corrosion resistance of magnesium alloy AM60 by cerium(III) in chloride solution

    Energy Technology Data Exchange (ETDEWEB)

    Heakal, F. El-Taib, E-mail: fakihaheakal@yahoo.com [Chemistry Department, Faculty of Science, Cairo University, Giza 12613 (Egypt); Shehata, O.S. [Physical Chemistry Department, National Research Centre, Dokki, Giza (Egypt); Tantawy, N.S. [Girl' s College of Arts, Science and Education, Ain Shams University, Asma Fahmi Street, Cairo (Egypt)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer Corrosion rate of AM60 in Cl{sup -} solution decreases with increasing [Ce{sup 3+}] up to 1 mM. Black-Right-Pointing-Pointer Beyond that level the corrosion rate increases and then stabilizes. Black-Right-Pointing-Pointer The spontaneously formed film characterises by increasing resistance with time. Black-Right-Pointing-Pointer The converted film after 10 d immersion exhibits self-healing in plain Cl{sup -} solution. Black-Right-Pointing-Pointer Ce(III) should be present in the corrodent to form a more compact surface coating. - Abstract: Cerium(III) was utilised to enhance the corrosion resistance of AM60 in NaCl solution. Ce{sup 3+} can suppress corrosion deterioration up to 1.0 mM. Beyond that level corrosion rate increases till a steady value. Surface film resistance increases with time evolution until 24 h, then decreases and stabilizes. The converted film after 240 h immersion exhibits self-healing and thickening when re-exposed to plain chloride solution. SEM and EDX confirmed that when Ce is present as additive in solution, more compact coating is formed better than its presence as a post coating on the alloy surface before being immersed in the corrosive environment.

  16. Enhanced corrosion resistance of magnesium alloy AM60 by cerium(III) in chloride solution

    International Nuclear Information System (INIS)

    Heakal, F. El-Taib; Shehata, O.S.; Tantawy, N.S.

    2012-01-01

    Highlights: ► Corrosion rate of AM60 in Cl − solution decreases with increasing [Ce 3+ ] up to 1 mM. ► Beyond that level the corrosion rate increases and then stabilizes. ► The spontaneously formed film characterises by increasing resistance with time. ► The converted film after 10 d immersion exhibits self-healing in plain Cl − solution. ► Ce(III) should be present in the corrodent to form a more compact surface coating. - Abstract: Cerium(III) was utilised to enhance the corrosion resistance of AM60 in NaCl solution. Ce 3+ can suppress corrosion deterioration up to 1.0 mM. Beyond that level corrosion rate increases till a steady value. Surface film resistance increases with time evolution until 24 h, then decreases and stabilizes. The converted film after 240 h immersion exhibits self-healing and thickening when re-exposed to plain chloride solution. SEM and EDX confirmed that when Ce is present as additive in solution, more compact coating is formed better than its presence as a post coating on the alloy surface before being immersed in the corrosive environment.

  17. Antithrombin III in animal models of sepsis and organ failure.

    Science.gov (United States)

    Dickneite, G

    1998-01-01

    Antithrombin III (AT III) is the physiological inhibitor of thrombin and other serine proteases of the clotting cascade. In the development of sepsis, septic shock and organ failure, the plasma levels of AT III decrease considerably, suggesting the concept of a substitution therapy with the inhibitor. A decrease of AT III plasma levels might also be associated with other pathological disorders like trauma, burns, pancreatitis or preclampsia. Activation of coagulation and consumption of AT III is the consequence of a generalized inflammation called SIRS (systemic inflammatory response syndrome). The clotting cascade is also frequently activated after organ transplantation, especially if organs are grafted between different species (xenotransplantation). During the past years AT III has been investigated in numerous corresponding disease models in different animal species which will be reviewed here. The bulk of evidence suggests, that AT III substitution reduces morbidity and mortality in the diseased animals. While gaining more experience with AT III, the concept of substitution therapy to maximal baseline plasma levels (100%) appears to become insufficient. Evidence from clinical and preclinical studies now suggests to adjust the AT III plasma levels to about 200%, i.e., doubling the normal value. During the last few years several authors proposed that AT III might not only be an anti-thrombotic agent, but to have in addition an anti-inflammatory effect.

  18. Fixation of Cr(III) traces onto Haro river sand from acidic solution

    International Nuclear Information System (INIS)

    Hasany, S.M.; Chaudhry, M.H.

    1998-01-01

    The sorption of chromium(III) onto Haro river sand has been investigated as a function of sorptive solution composition, amounts of sorbent (10-500 mg) and sorbate (4.33 x 10 -8 -5.17 x 10 -6 M), shaking time (I-60 minutes) and temperature (15-35 deg C). Maximum sorption has been achieved from 0.001M HCl solution using 50 mg of the sand and 20 minutes shaking time. The sorption data followed Freundlich and D-R isotherms. The sorption capacity of 0.4 μmole x g -1 and of sorption energy of 9.9 kJ x mole -1 have been computed from D-R parameters. Thermodynamic parameters ΔH = 84.4 kJ x mole -1 , ΔS 284.5 J x mole -1 x K -1 and ΔG = -3.32 kJ x mole -1 at 298 K have been evaluated. Fe(II), Al(III), citrate, borate, oxalate, tartrate and carbonate ions reduce the sorption significantly. Under similar experimental conditions Tc(VII), Re(VII), Sb(V) and Co(II) have very low sorption (<1%) and trivalent Eu and Sm have large distribution ratios. Haro river sand can be used to preconcentrate or to remove micro or submicro amounts of Cr(III) from very dilute solution and for the separation of Tc, Re and Sb from Cr, Eu and Sm. (author)

  19. Uranium determination by spectrophotometry, in chloride solutions, using titanium (III) as reducer; Determinacao de uranio por espectrofotometria, em solucoes cloridricas, utilizando titanio (III) como redutor

    Energy Technology Data Exchange (ETDEWEB)

    Bastos, E T.R.; Bastos, M B.R.

    1986-08-01

    A simple method for determining uranium in uranium (VI) solutions with the presence of uranium (IV), iron (II), and titanium (IV) in chloridic solution is described. The method comprises in uranium (VI) reduction with titanium (III), acidity adjustment and uranium (IV) spectrophotometry in hydrochloric acid 2 M. (C.G.C.).

  20. Modelling Eu(III) speciation in a Eu(III)/PAHA/α-Al2O3 ternary system

    International Nuclear Information System (INIS)

    Janot, Noemie; Reiller, Pascal E.; Benedetti, Marc F.

    2013-01-01

    In this work, modelling of Eu(III) speciation in a ternary system, i.e., in presence of purified Aldrich humic acid (PAHA) and α-Al 2 O 3 , is presented. First, the mineral surface charge is measured by potentiometric titrations and then described using the CD-MUSIC model. This model is also used to describe Eu(III) binding to the α-Al 2 O 3 surface at different pH values, ionic strength and mineral concentrations. Time resolved luminescence spectroscopy (TRLS) is then used to study the binding of Eu(III) to PAHA at pH 4 with different humic acid concentrations. The spectra are used to calculate a spectroscopic 'titration curve', used to determine Eu(III)/PAHA binding parameters in the NICA-Donnan model. Following a previous study (Janot et al., Water Res. 46, 731-740), modelling of the ternary system is based upon the definition of two PAHA pools where one fraction remains in solution and the other is adsorbed onto the mineral surface, with each possessing different proton and metal binding parameters. The modification of protonation behaviour for both fractions is examined using spectrophotometric titrations of the non adsorbed PAHA fraction at different organic/mineral ratios. These data are then used to describe Eu(III) interactions in the ternary system: Eu(III) re-partitioning in the ternary system is calculated for different pH, ionic strength and PAHA concentrations, and results are compared to experimental observations. The model is in good agreement with experimental data, except at high PAHA fractionation rates. Results show that organic complexation dominates over a large pH range, with the predominant species existing as the surface-bound fraction. Above pH 8, Eu(III) seems to be mostly complexed to the mineral surface, which is in agreement with previous spectroscopic observations (Janot et al., Environ. Sci. Technol. 45, 3224-3230). (authors)

  1. Some five-dimensional Bianchi type-iii string cosmological models in general relativity

    International Nuclear Information System (INIS)

    Samanta, G.C.; Biswal, S.K.; Mohanty, G.; Rameswarpatna, Bhubaneswar

    2011-01-01

    In this paper we have constructed some five-dimensional Bianchi type-III cosmological models in general relativity when source of gravitational field is a massive string. We obtained different classes of solutions by considering different functional forms of metric potentials. It is also observed that one of the models is not physically acceptable and the other models possess big-bang singularity. The physical and kinematical behaviors of the models are discussed

  2. COMPBRN III: a computer code for modeling compartment fires

    International Nuclear Information System (INIS)

    Ho, V.; Siu, N.; Apostolakis, G.; Flanagan, G.F.

    1986-07-01

    The computer code COMPBRN III deterministically models the behavior of compartment fires. This code is an improvement of the original COMPBRN codes. It employs a different air entrainment model and numerical scheme to estimate properties of the ceiling hot gas layer model. Moreover, COMPBRN III incorporates a number of improvements in shape factor calculations and error checking, which distinguish it from the COMPBRN II code. This report presents the ceiling hot gas layer model employed by COMPBRN III as well as several other modifications. Information necessary to run COMPBRN III, including descriptions of required input and resulting output, are also presented. Simulation of experiments and a sample problem are included to demonstrate the usage of the code. 37 figs., 46 refs

  3. Gold Nanoparticles Obtained by Bio-precipitation from Gold(III) Solutions

    International Nuclear Information System (INIS)

    Gardea-Torresdey, J.L.; Tiemann, K.J.; Gamez, G.; Dokken, K.; Tehuacanero, S.; Jose-Yacaman, M.

    1999-01-01

    The use of metal nanoparticles has shown to be very important in recent industrial applications. Currently gold nanoparticles are being produced by physical methods such as evaporation. Biological processes may be an alternative to physical methods for the production of gold nanoparticles. Alfalfa biomass has shown to be effective at passively binding and reducing gold from solutions containing gold(III) ions and resulting in the formation of gold(0) nanoparticles. High resolution microscopy has shown that five different types of gold particles are present after reaction with gold(III) ions with alfalfa biomass. These particles include: fcc tetrahedral, hexagonal platelet, icosahedral multiple twinned, decahedral multiple twinned, and irregular shaped particles. Further analysis on the frequency of distribution has shown that icosahedral and irregular particles are more frequently formed. In addition, the larger particles observed may be formed through the coalescence of smaller particles. Through modification of the chemical parameters, more uniform particle size distribution may be obtained by the alfalfa bio-reduction of gold(III) from solution

  4. Determination of free acid in U(VI)-Al(III) solution by Gran plot titration

    International Nuclear Information System (INIS)

    Suh, Moo Yul; Lee, Chang Heon; Sohn, Se Chul; Kim, Jung Suk; Kim, Won Ho; Eom, Tae Yoon

    1999-01-01

    The determination method of free acid in spent U-Al nuclear fuel solutions by Gran plot titration was described. Effect of U(VI) and Al(III) on the alkalimetric titration of nitric acid was investigation in oxalate complexing media as well as in noncomplexing media. Positive biases were observed in both titration media when the end-point was estimated by the Gran plot method. It was found that the cause of the bias was U(VI) in the oxalate complexing media, but Al(III) in the noncomplexing media. The relative error was less than 1% in the titration of 0.1 M HNO 3 at a U(VI):Al(III):H + mole ratio of up to 2:12:1 as long as the pH of the oxalate titration media was sustained to be below 5.0 at the beginning of titration. The method was successfully applied to the determination of nitric acid in a solution of HANARO reactor fuel with U:Al mole ratio of 1:6

  5. Erbium(III) in aqueous solution: an ab initio molecular dynamics study.

    Science.gov (United States)

    Canaval, Lorenz R; Sakwarathorn, Theerathad; Rode, Bernd M; Messner, Christoph B; Lutz, Oliver M D; Bonn, Günther K

    2013-12-05

    Structural and dynamical properties of the erbium(III) ion in water have been obtained by means of ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) simulations for the ground state and an excited state. The quality of the simulations has been monitored by recording UV/vis and Raman spectra of dilute solutions of ErCl3 and Er(NO3)3 in water and by comparison with EXAFS data from literature. Slight deviations between these data can be mainly attributed to relativistic effects, which are not sufficiently considered by the methodological framework. In both simulations, a mixture of coordination numbers eight and nine and a ligand exchange on the picosecond range are observed. The strength of the Er-ligand bond is considerably lower than that of trivalent transition metal ions but higher than that for La(III) and Ce(III) in aqueous solution. The main difference between ground state and excited state is the ligand exchange rate of the first shell. The second hydration shell is stable in both cases but with significantly different properties.

  6. Removal of Lanthanum (III) From Aqueous Solution Using Non-Living Water Hyacinth Roots

    International Nuclear Information System (INIS)

    Aly, A.; Amer, H.A.; Shawky, S.; Shawky, S.; Kandil, A.T.

    2013-01-01

    Removal of lanthanum (III) from aqueous solution using dried roots of water hyacinth (Eichhornia crassipes) has been investigated. The roots have been characterized by determining the ash percentage, the ph of the slurry, the elemental composition, the thermal gravimetric analysis, the surface area, the pore size, the zeta potential and ph of zero point charge. A surface area of 128 m 2 /g has been found and the micropore structure of the roots has been confirmed. Zeta potential and ph of zero point charge of the roots surfaces showed that they are positively charged within the ph range from 2 to 7.5. Sorption is rapid and depends on ph, weight of roots, concentration of lanthanum (III) and ionic strength. The sorption of lanthanum (III) was confirmed by scanning electron microscope, energy dispersive spectroscopy and the release of Ca +2 , Mg +2 and K +1 after sorption of lanthanum (III) have been indicated an ion exchange mechanism. Fourier transform infrared spectra indicated surface complexation mechanism, and sorption isotherms and kinetics were discussed. The roots were tested for removal of radioactive lanthanum ( 140 La) from simulated radioactive waste. Accepted June 2013.

  7. Complexation and molecular modeling studies of europium(III)-gallic acid-amino acid complexes.

    Science.gov (United States)

    Taha, Mohamed; Khan, Imran; Coutinho, João A P

    2016-04-01

    With many metal-based drugs extensively used today in the treatment of cancer, attention has focused on the development of new coordination compounds with antitumor activity with europium(III) complexes recently introduced as novel anticancer drugs. The aim of this work is to design new Eu(III) complexes with gallic acid, an antioxida'nt phenolic compound. Gallic acid was chosen because it shows anticancer activity without harming health cells. As antioxidant, it helps to protect human cells against oxidative damage that implicated in DNA damage, cancer, and accelerated cell aging. In this work, the formation of binary and ternary complexes of Eu(III) with gallic acid, primary ligand, and amino acids alanine, leucine, isoleucine, and tryptophan was studied by glass electrode potentiometry in aqueous solution containing 0.1M NaNO3 at (298.2 ± 0.1) K. Their overall stability constants were evaluated and the concentration distributions of the complex species in solution were calculated. The protonation constants of gallic acid and amino acids were also determined at our experimental conditions and compared with those predicted by using conductor-like screening model for realistic solvation (COSMO-RS) model. The geometries of Eu(III)-gallic acid complexes were characterized by the density functional theory (DFT). The spectroscopic UV-visible and photoluminescence measurements are carried out to confirm the formation of Eu(III)-gallic acid complexes in aqueous solutions. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. Spectrophotometric Determination of Chromium (III) in Egyptian 11 manite from phosphate solution using Ewes as a selective adsorbent

    International Nuclear Information System (INIS)

    Abdu, A. A.

    2012-12-01

    Egyptian white sand (EWS) was used as an adsorbent for the selective separation of Cr(III) from phosphate solution to be determined colorimetrically using 1,5-diphenylcarbazide. The experimental factors affecting maximum selective adsorption/desorption of Cr(III) on / from EWS were the amount of adsorption (g), pH of initial concentration of Cr(III) in solution, contact time temperature and initial concentration of Cr(III) in solution were investigated. No effect of [PO 4 ] 3- , Ti(IV) and Fe(III) on Cr(III) sorption were verified. Accuracy and relative standard deviations (RSD) were acceptable for all analyses. The maximum sorption capacity, Q e , of adsorbed Cr(III) per gram of sand was 93.5 mg/g, at EWS concentration 20 g/1, pH 0.8 contact time 120 min and temperature 30 o C for adsorption of Cr(III) on EWS and pH 0.4, contact time 6 min and temperature 25o C for desorption of Cr(III) from EWS. (Author)

  9. Recovery boiler model; Soodakattilan kehitystyoe III

    Energy Technology Data Exchange (ETDEWEB)

    Janka, K.; Ylitalo, M.; Sundstroem, K.; Helke, R.; Heinola, M. [Kvaerner Pulping Oy, Tampere (Finland)

    1997-10-01

    The recovery boiler model was further tested and developed. At this moment the model includes submodels for: droplet drying, pyrolysis, char burning, gas burning and for droplet trajectory. During 1996 the formation of CH{sub 4} during pyrolysis and release of sulfur was included to the model. Further the formation of NO from fuel nitrogen and formation of thermal- NO were included to the model using Arrhenius type reaction rate equations. The calculated results are realistic and the model is used as a tool to find out methods to increase the efficiency and availability and decrease the emissions. Analysing the results of the earlier field study of 8 boilers showed that the furnace heat load, fuming rate, find the black liquor composition have influence on the enrichment of the potassium to the fly ash. (orig.)

  10. Structural Properties of the Cr(III)-Fe(III) (Oxy)Hydroxide Compositional Series: Insights for a Nanomaterial 'Solid Solution'

    International Nuclear Information System (INIS)

    Tang, Y.; Zhang, L.; Michel, F.M.; Harrington, R.; Parise, J.B.; Reeder, R.J.

    2010-01-01

    Chromium(III) (oxy)hydroxide and mixed Cr(III)-Fe(III) (oxy)hydroxides are environmentally important compounds for controlling chromium speciation and bioaccessibility in soils and aquatic systems and are also industrially important as precursors for materials and catalyst synthesis. However, direct characterization of the atomic arrangements of these materials is complicated because of their amorphous X-ray properties. This study involves synthesis of the complete Cr(III)-Fe(III) (oxy)hydroxide compositional series, and the use of complementary thermal, microscopic, spectroscopic, and scattering techniques for the evaluation of their structural properties. Thermal analysis results show that the Cr end member has a higher hydration state than the Fe end member, likely associated with the difference in water exchange rates in the first hydration spheres of Cr(III) and Fe(III). Three stages of weight loss are observed and are likely related to the loss of surface/structural water and hydroxyl groups. As compared to the Cr end member, the intermediate composition sample shows lower dehydration temperatures and a higher exothermic transition temperature. XANES analysis shows Cr(III) and Fe(III) to be the dominant oxidation states. XANES spectra also show progressive changes in the local structure around Cr and Fe atoms over the series. Pair distribution function (PDF) analysis of synchrotron X-ray total scattering data shows that the Fe end member is nanocrystalline ferrihydrite with an intermediate-range order and average coherent domain size of ∼27 (angstrom). The Cr end member, with a coherent domain size of ∼10 (angstrom), has only short-range order. The PDFs show progressive structural changes across the compositional series. High-resolution transmission electron microscopy (HRTEM) results also show the loss of structural order with increasing Cr content. These observations provide strong structural evidence of chemical substitution and progressive structural

  11. Removal of lead from aqueous solutions by using the natural and Fe(III)-modified zeolite

    International Nuclear Information System (INIS)

    Kragović, Milan; Daković, Aleksandra; Sekulić, Živko; Trgo, Marina; Ugrina, Marin; Perić, Jelena; Gatta, G. Diego

    2012-01-01

    In the present study, the sorption of lead by the natural and Fe(III)-modified zeolite (clinoptilolite) is described. The characterization of the natural zeolite-rich rock and the Fe(III)-modified form was performed by chemical analysis, point of the zero charge (pH pzc ), X-ray powder diffraction, applying the Rietveld/RIR method for the quantitative phase analysis, and scanning electron microscopy. The effects of sorbents dose and the initial lead concentrations on its sorption by two sorbents were investigated. For both sorbents, it was determined that at lower initial concentrations of lead, ion exchange of inorganic cations in zeolites with lead, together with uptake of hydrogen dominated, while at higher initial lead concentrations beside these processes, chemisorption of lead occurred. Significantly higher sorption of lead was achieved with Fe(III)-modified zeolite. From sorption isotherms, maximum sorbed amounts of lead, under the applied experimental conditions, were 66 mg/g for the natural and 133 mg/g for Fe(III)-modified zeolite. The best fit of experimental data was achieved with the Freundlich model (R 2 ≥ 0.94).

  12. Exact Kantowski-Sachs and Bianchi types I and III cosmological models with a conformally invariant scalar field

    International Nuclear Information System (INIS)

    Accioly, A.J.

    1985-01-01

    Exact solutions of the Einstein-Conformally Invariant Scalar Field Equations are obtained for Kantowski-Sachs and Bianchi types I and III cosmologies. The presence of the conformally invariant scalar field is responsible for some interesting features of the solutions. In particular it is found that the Bianchi I model is consistent with the big-bang theory of cosmology. (Author) [pt

  13. Parametric Sensitivity Analysis of the WAVEWATCH III Model

    Directory of Open Access Journals (Sweden)

    Beng-Chun Lee

    2009-01-01

    Full Text Available The parameters in numerical wave models need to be calibrated be fore a model can be applied to a specific region. In this study, we selected the 8 most important parameters from the source term of the WAVEWATCH III model and subjected them to sensitivity analysis to evaluate the sensitivity of the WAVEWATCH III model to the selected parameters to determine how many of these parameters should be considered for further discussion, and to justify the significance priority of each parameter. After ranking each parameter by sensitivity and assessing their cumulative impact, we adopted the ARS method to search for the optimal values of those parameters to which the WAVEWATCH III model is most sensitive by comparing modeling results with ob served data at two data buoys off the coast of north eastern Taiwan; the goal being to find optimal parameter values for improved modeling of wave development. The procedure adopting optimal parameters in wave simulations did improve the accuracy of the WAVEWATCH III model in comparison to default runs based on field observations at two buoys.

  14. X-ray L/sub III/-edge densitometer for assay of mixed S.N.M. solutions

    International Nuclear Information System (INIS)

    Russo, P.A.; Canada, T.R.; Langner, D.G.; Tape, J.W.; Hsue, S.T.; Cowder, L.R.; Mosley, W.C.; Reynolds, L.; Thompson, M.C.

    1979-01-01

    Simultaneous nondestructive analysis of uranium and plutonium in coprocessed solutions is accomplished using L/sub III/-edge densitometry in at-line instrumentation. The densitometer measures the transmission through solutions of a continuous x-ray spectrum, and gives accuracies of approximately one-half percent and three percent for uranium and plutonium concentrations respectively

  15. Experimental investigation of aluminum complexing with sodium ion and of gallium and iron (III) speciation in natural solutions

    International Nuclear Information System (INIS)

    Diakonov, Igor

    1995-01-01

    The aim of this work is to acquire thermodynamic data on the aqueous complexes forming between sodium and aluminum, gallium and hydroxide, and iron (III) and hydroxide. These data will provide for a better understanding of the transport and distribution of these elements in surface and hydrothermal fluids. Stability constants of the sodium-aluminate complex (Na Al(OH) 4 deg.) were obtained from boehmite solubility measurements at temperatures from 125 to 350 deg. C in alkaline solutions containing from 0.1 to 1 mol/L sodium. Complementary potentiometric measurements were performed with a sodium selective electrode, between 75 and 200 deg C (the potentiometric study was carried out by Gleb Pokrovski). Analyses of these data within the framework of the revised Helgeson-Kirkham-Flowers (HKF) model allowed determination of the HKF parameters for Na Al(OH) 4 deg. and calculation of its thermodynamic properties to 800 deg. C and 5 kb. The results of this work show that Na Al(OH) 4 deg. complex formation increases significantly the solubility of aluminum-bearing minerals and consequently aluminum mobility in hydrothermal fluids. Gallium speciation in surface and hydrothermal fluids is dominated by the negatively charged species, Ga(OH) 4 - . The thermodynamic properties of this species were determined from of OEGaOOH solubility measurements as a function of pH and temperature from 25 to 250 deg. C. In general, the variation of gallium aqueous speciation with pH is similar to that of aluminum other than at temperatures less than 200 deg. C over the pH range 3 - 6. This difference can account for the independent behavior of gallium versus aluminum in numerous low temperature natural systems. The thermodynamic properties of Fe(OH) 3 deg. which dominates the speciation of Fe(III) in surface waters and Fe(OH) 4 - were determined from hematite solubility measurements as a function of pH, oxygen pressure and temperature from 110 to 300 deg. C. The available thermodynamic data on

  16. Application of composite materials based on various extractants for isolation of lanthanides(III) nitrates from multicomponent aqueous solutions

    International Nuclear Information System (INIS)

    Kopyrin, A.A.; Pyartman, A.K.; Kesnikov, V.A.; Pleshkov, M.A.; Exekov, M.H.

    1999-01-01

    In present work we obtained samples of composite materials mentioned containing tributylphosphate (TBP) and trialkylmethylammonium nitrate (TAMAN). Extraction of lanthanides(III) nitrates of cerium group from multicomponent aqueous solutions by means of these materials was studied. Some systems with different concentration of sodium nitrate up to 5 mol/l and the same systems containing additions of sodium chloride or sulfate along with sodium nitrate was investigated, isotherm of extraction being obtained for all cases. Also we compared in identical conditions extraction process when liquid extractants were used and process with composite materials. It was found that traditional extraction systems and systems based on composite extractants demonstrated almost the same extraction properties in respect to lanthanides(III) nitrates. Extraction isotherms observed in identical conditions and being shown in the same coordinates had no difference with taking into account errors of experiment. This fact allow to use the same mathematical model for those systems. For systems studied it was generated mathematical model that is able to describe extraction process when component concentration vary in wide range, with assumption being used that ratio activity coefficients in organic phase stay constant. (authors)

  17. The preparation of magnetite from iron(III) and iron(II) salt solutions

    International Nuclear Information System (INIS)

    Segal, D.L.

    1980-10-01

    Methods are described for the preparation of magnetite from iron(III) and iron(II) salt solutions at temperatures between 295 to 373 K. The effect of the reagent concentration, a chelating agent and different alkali-metal cations on the formation of magnetite has been investigated. The magnetite samples have been examined by X-ray diffraction, transmission electron microscopy, adsorption of nitrogen, emission spectroscopy, X-ray photoelectron spectroscopy and by determination of the point of zero charge. A review of previous work on the preparation of magnetite in an aqueous environment is also included. This work is relevant to the corrosion processes which can occur in the water coolant circuits of nuclear reactors. (author)

  18. COMPARATIVE STUDY OF DEGRADATION OF ISOPROTURON (3-(4-isopropylphenyl-1,1dimethylurea PHOTOINDUCED BY FE(III AND FE(III-PHOTOINDUCED SONOCHEMICAL IN AQUEOUS SOLUTION

    Directory of Open Access Journals (Sweden)

    S Azizi

    2014-05-01

    Full Text Available The degradation of isoproturon 3-(4-isopropylphenyl-1,1dimethylurea photoinduced by Fe(III in aqueous solution has been investigated. The rate of degradation depends on the concentration of Fe(OH2+, the most photoreactive species in terms of .OH radical formation. These .OH radicals are able to degrade isoproturon until total mineralisation. The formation  of  Fe(II in the irradiated solution was monitored. The sonophotochemical degradation of isoproturon has been found to be dependent on the intensity of sonication. The combination of ultrasound and photochemistry has been used to degrade an aqueous solution of Isoproturon (IP. The degradation of IP in aqueous solution was investigated under sonolysis at         500 kHz and in the presence of Fe(III, as well as under simultaneous sonolysis and photoinduced Fe(III. Coupling photolysis with ultrasound for degradation of IP has been developed. The photosonochemical decomposition rate constant is greater than the additive rate constants of the two processes. Degradation products were analysed by CG/MS performed in the electron-impact (EI mode, at 70 eV potential using full scan mode. Degradation photoproducts were identified and a mechanism of degradation is proposed for two processes.

  19. Bianchi VI{sub 0} and III models: self-similar approach

    Energy Technology Data Exchange (ETDEWEB)

    Belinchon, Jose Antonio, E-mail: abelcal@ciccp.e [Departamento de Fisica, ETS Arquitectura, UPM, Av. Juan de Herrera 4, Madrid 28040 (Spain)

    2009-09-07

    We study several cosmological models with Bianchi VI{sub 0} and III symmetries under the self-similar approach. We find new solutions for the 'classical' perfect fluid model as well as for the vacuum model although they are really restrictive for the equation of state. We also study a perfect fluid model with time-varying constants, G and LAMBDA. As in other studied models we find that the behaviour of G and LAMBDA are related. If G behaves as a growing time function then LAMBDA is a positive decreasing time function but if G is decreasing then LAMBDA{sub 0} is negative. We end by studying a massive cosmic string model, putting special emphasis in calculating the numerical values of the equations of state. We show that there is no SS solution for a string model with time-varying constants.

  20. Pseudoclassical fermionic model and classical solutions

    International Nuclear Information System (INIS)

    Smailagic, A.

    1981-08-01

    We study classical limit of fermionic fields seen as Grassmann variables and deduce the proper quantization prescription using Dirac's method for constrained systems and investigate quantum meaning of classical solutions for the Thirring model. (author)

  1. Removal of antimony (III) and cadmium (II) from aqueous solution using animal manure-derived hydrochars and pyrochars.

    Science.gov (United States)

    Han, Lanfang; Sun, Haoran; Ro, Kyoung S; Sun, Ke; Libra, Judy A; Xing, Baoshan

    2017-06-01

    In this study, hydrochars and pyrochars prepared from animal manures were characterized and were used to remove Sb (III) and Cd (II) from aqueous solution. Fourier transform infrared spectroscopy (FTIR) analysis revealed the interaction between Cd (II) and CO and CO groups within biochars and between Sb (III) and CO, CO and OH groups, respectively. Additionally, the lower absolute value of zeta potential of biochar after loading Sb (III) and Cd (II) suggested the occurrence of surface complexation. Existing primarily in the form of Sb (OH) 3 , the maximum adsorption capacities (Q max ) for Sb (III) were lower than those for Cd (II). Due to the lower contents of surface polar functional groups and less negative surface charge, hydrochars exhibited lower Q max for Sb (III) and Cd (II) than pyrochars. However, hydrochars in this study had higher sorption capacities for Cd (II) than most of plant-based pyrochars reported by other literature. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Model or metaphor. More comments on the BEIR III report

    International Nuclear Information System (INIS)

    Herbert, D.E.

    1983-01-01

    Data have been obtained for Hiroshima and Nagasaki from which were prepared the estimates of somatic risk coefficients for ionizing radiation presented in the BEIR III Report. Several Poisson regression models of these data by both Bayesian and Sampling Theory methods. The results of the evaluations disclose some interesting idiosyncracies in the statistical methods by which the BEIR III estimates and inferences were obtained. The paper presents these results in the format of a textual criticism of the foundations of the received estimates of risk that are presented in the Somatic Effects Sections of the BEIR III Report. Whatever the resolution of the current difficulties with the validity of the T65 estimates of dose, the utility of any estimates of risk coefficients depends upon the suitability of the statistical methods by which any estimates of dose are mapped into estimates of risk. The statistical methods of the BEIR III Report seem idiosyncratic. Use of standard methods discloses that its rival models (LQ-L, L-L AND Q-L) may be more effective as metaphors of expression than as models of radiation response

  3. Redox equilibria in the In(III)-In(I)-In system in aqueous KBr solutions, I. potentiometric and coulometric study

    International Nuclear Information System (INIS)

    Malyszko, E.; Malyszko, J.

    1993-01-01

    The reproportionation of In(I) ions in acidic potassium bromide solutions was studied by means of the coulometric and potentiometric method. The formal potentials of the In(III)/In(I), In(III)/In and In(I)/In redox couples as well as the equilibrium constants of the reaction In(III) + 2 In 3 In(I) were determined at a background electrolyte concentration ranging from 1 to 4 mol dm -3 . Based on the experimental results, a scheme of the reproportionation reaction was proposed with regard to the participation of bromide ions. In addition, the diffusion coefficient of In(I) ions was determined using the chronopotentiometric technique

  4. Mathematical models applied to the Cr(III) and Cr(VI) breakthrough curves.

    Science.gov (United States)

    Ramirez C, Margarita; Pereira da Silva, Mônica; Ferreira L, Selma G; Vasco E, Oscar

    2007-07-19

    Trivalent and hexavalent chromium continuous biosorption was studied using residual brewer Saccharomyces cerevisiae immobilized in volcanic rock. The columns used in the process had a diameter of 4.5 cm and a length of 140 cm, working at an inlet flow rate of 15 mL/min. Breakthrough curves were used to study the yeast biosorption behavior in the process. The saturation time (ts) was 21 and 45 h for Cr(III) and Cr(VI), respectively, and a breakthrough time (tb) of 4 h for Cr(III) and 5 h for Cr(VI). The uptake capacity of the biosorbent for Cr(III) and Cr(VI) were 48 and 60 mg/g, respectively. Two non-diffusional mathematical models with parameters t0 and sigma were used to adjust the experimental data obtained. Microsoft Excel tools were used for the mathematical solution of the two parameters used.

  5. Traveling waves in a diffusive predator-prey model with holling type-III functional response

    International Nuclear Information System (INIS)

    Li Wantong; Wu Shiliang

    2008-01-01

    We establish the existence of traveling wave solutions and small amplitude traveling wave train solutions for a reaction-diffusion system based on a predator-prey model with Holling type-III functional response. The analysis is in the three-dimensional phase space of the nonlinear ordinary differential equation system given by the diffusive predator-prey system in the traveling wave variable. The methods used to prove the results are the shooting argument, invariant manifold theory and the Hopf bifurcation theorem

  6. The quantum Rabi model: solution and dynamics

    International Nuclear Information System (INIS)

    Xie, Qiongtao; Zhong, Honghua; Lee, Chaohong; Batchelor, Murray T

    2017-01-01

    This article presents a review of recent developments on various aspects of the quantum Rabi model. Particular emphasis is given on the exact analytic solution obtained in terms of confluent Heun functions. The analytic solutions for various generalisations of the quantum Rabi model are also discussed. Results are also reviewed on the level statistics and the dynamics of the quantum Rabi model. The article concludes with an introductory overview of several experimental realisations of the quantum Rabi model. An outlook towards future developments is also given. (topical review)

  7. Characterization of some electronic spectral parameters for doped Nd (III) ion in saturated aqueous solution of some pharmaceutical compounds

    International Nuclear Information System (INIS)

    Naulakha, Neelam; Soni, K.P.; Bhati, P.R.

    2000-01-01

    The stereo-environment of doped Nd(III) ion in various saturated solutions of some medicinal compounds has been studied for various electronic spectral parameters. The various electronic parameters, viz., Slater Condon (F k ), Lande (ζ 4f ) intensity of hypersensitive band ( 4 G 5/2 ), bonding parameter (b 1/2 ), Judd-Ofelt parameter (Tλ) and Racah parameter (E k ) for Nd(III) ion doped in saturated solution of diphenylhydramine, tripelennamine, chlorophenaramine, promethazine, terfinadine, naproxen, fenoprofen, flurbiprofen, oxaprozine, ketoprofen and ibuprofen have been studied. (author)

  8. Thermal Modeling Method Improvements for SAGE III on ISS

    Science.gov (United States)

    Liles, Kaitlin; Amundsen, Ruth; Davis, Warren; McLeod, Shawn

    2015-01-01

    The Stratospheric Aerosol and Gas Experiment III (SAGE III) instrument is the fifth in a series of instruments developed for monitoring aerosols and gaseous constituents in the stratosphere and troposphere. SAGE III will be delivered to the International Space Station (ISS) via the SpaceX Dragon vehicle. A detailed thermal model of the SAGE III payload, which consists of multiple subsystems, has been developed in Thermal Desktop (TD). Many innovative analysis methods have been used in developing this model; these will be described in the paper. This paper builds on a paper presented at TFAWS 2013, which described some of the initial developments of efficient methods for SAGE III. The current paper describes additional improvements that have been made since that time. To expedite the correlation of the model to thermal vacuum (TVAC) testing, the chambers and GSE for both TVAC chambers at Langley used to test the payload were incorporated within the thermal model. This allowed the runs of TVAC predictions and correlations to be run within the flight model, thus eliminating the need for separate models for TVAC. In one TVAC test, radiant lamps were used which necessitated shooting rays from the lamps, and running in both solar and IR wavebands. A new Dragon model was incorporated which entailed a change in orientation; that change was made using an assembly, so that any potential additional new Dragon orbits could be added in the future without modification of the model. The Earth orbit parameters such as albedo and Earth infrared flux were incorporated as time-varying values that change over the course of the orbit; despite being required in one of the ISS documents, this had not been done before by any previous payload. All parameters such as initial temperature, heater voltage, and location of the payload are defined based on the case definition. For one component, testing was performed in both air and vacuum; incorporating the air convection in a submodel that was

  9. Gallium(III)-Containing, Sandwich-Type Heteropolytungstates: Synthesis, Solution Characterization, and Hydrolytic Studies toward Phosphoester and Phosphoanhydride Bond Cleavage.

    Science.gov (United States)

    Kandasamy, Balamurugan; Vanhaecht, Stef; Nkala, Fiona Marylyn; Beelen, Tessa; Bassil, Bassem S; Parac-Vogt, Tatjana N; Kortz, Ulrich

    2016-09-19

    The gallium(III)-containing heteropolytungstates [Ga4(H2O)10(β-XW9O33)2](6-) (X = As(III), 1; Sb(III), 2) were synthesized in aqueous acidic medium by reaction of Ga(3+) ions with the trilacunary, lone-pair-containing [XW9O33](9-). Polyanions 1 and 2 are isostructural and crystallized as the hydrated sodium salts Na6[Ga4(H2O)10(β-AsW9O33)2]·28H2O (Na-1) and Na6[Ga4(H2O)10(β-SbW9O33)2]·30H2O (Na-2) in the monoclinic space group P21/c, with unit cell parameters a = 16.0218(12) Å, b = 15.2044(10) Å, c = 20.0821(12) Å, and β = 95.82(0)°, as well as a = 16.0912(5) Å, b = 15.2178(5) Å, c = 20.1047(5) Å, and β = 96.2(0)°, respectively. The corresponding tellurium(IV) derivative [Ga4(H2O)10(β-TeW9O33)2](4-) (3) was also prepared, by direct reaction of sodium tungstate, tellurium(IV) oxide, and gallium nitrate. Polyanion 3 crystallized as the mixed rubidium/sodium salt Rb2Na2[Ga4(H2O)10(β-TeW9O33)2]·28H2O (RbNa-3) in the triclinic space group P1̅ with unit cell parameters a = 12.5629(15) Å, b = 13.2208(18) Å, c = 15.474(2) Å, α = 80.52(1)°, β = 84.37(1)°, and γ = 65.83(1)°. All polyanions 1-3 were characterized in the solid state by single-crystal XRD, FT-IR, TGA, and elemental analysis, and polyanion 2 was also characterized in solution by (183)W NMR and UV-vis spectroscopy. Polyanion 2 was used as a homogeneous catalyst toward adenosine triphosphate (ATP) and the DNA model substrate 4-nitrophenylphosphate, monitored by (1)H and (31)P NMR spectroscopy. The encapsulated gallium(III) centers in 2 promote the Lewis acidic synergistic activation of the hydrolysis of ATP and DNA model substrates at a higher rate in near-physiological conditions. A strong interaction of 2 with the P-O bond of ATP was evidenced by changes in chemical shift values and line broadening of the (31)P nucleus in ATP upon addition of the polyanion.

  10. Moessbauer spectroscopic evidence for iron(III) complexation and reduction in acidic aqueous solutions of indole-3-butyric acid

    International Nuclear Information System (INIS)

    Kovacs, K.; Kuzmann, E.; Vertes, A.; Kamnev, A.A.; Shchelochkov, A.G.; Medzihradszky-Schweiger, H.; Mink, J.; Hungarian Academy of Sciences, Budapest

    2004-01-01

    Moessbauer spectroscopic studies were carried out in acidic (pH 2.3) 57 Fe III nitrate containing aqueous solutions of indole-3-butyric acid (IBA), rapidly frozen in liquid nitrogen at various periods of time after mixing the reagents. The data obtained show that in solution in the presence of IBA, iron(III) forms a complex with a dimeric structure characterised by a quadrupole doublet, whereas without IBA under similar conditions iron(III) exhibits a broad spectral feature due to a slow paramagnetic spin relaxation which, at liquid nitrogen temperature, results in a large anomalous line broadening (or, at T = 4.2 K, in a hyperfine magnetic splitting). The spectra of 57 Fe III +IBA solutions, kept at ambient temperature under aerobic conditions for increasing periods of time before freezing, contained a gradually increasing contribution of a component with a higher quadrupole splitting. The Moessbauer parameters for that component are typical for iron(II) aquo complexes, thus showing that under these conditions gradual reduction of iron(III) occurs, so that the majority (85%) of dissolved iron(III) is reduced within 2 days. The Moessbauer parameters for the iron(III)-IBA complex in aqueous solution and in the solid state (separated from the solution by filtration) were found to be similar, which may indicate that the dissolved and solid complexes have the same composition and/or iron(III) coordination environment. For the solid complex, the data of elemental analysis suggest the following composition of the dimer: [L 2 Fe-(OH) 2 -FeL 2 ] (where L is indole-3-butyrate). This structure is also in agreement with the data of infrared spectroscopic study of the complex reported earlier, with the side-chain carboxylic group in indole-3-butyrate as a bidentate ligand. The Moessbauer parameters for the solid 57 Fe III -IBA complex at T = 80 K and its acetone solution rapidly frozen in liquid nitrogen were virtually identical, which indicates that the complex retains its

  11. Applied Integer Programming Modeling and Solution

    CERN Document Server

    Chen, Der-San; Dang, Yu

    2011-01-01

    An accessible treatment of the modeling and solution of integer programming problems, featuring modern applications and software In order to fully comprehend the algorithms associated with integer programming, it is important to understand not only how algorithms work, but also why they work. Applied Integer Programming features a unique emphasis on this point, focusing on problem modeling and solution using commercial software. Taking an application-oriented approach, this book addresses the art and science of mathematical modeling related to the mixed integer programming (MIP) framework and

  12. Scaffolding Mathematical Modelling with a Solution Plan

    Science.gov (United States)

    Schukajlow, Stanislaw; Kolter, Jana; Blum, Werner

    2015-01-01

    In the study presented in this paper, we examined the possibility to scaffold mathematical modelling with strategies. The strategies were prompted using an instrument called "solution plan" as a scaffold. The effects of this step by step instrument on mathematical modelling competency and on self-reported strategies were tested using…

  13. Complexation of some trivalent lanthanides, scandium(III) and thorium(IV) by benzylidenepyruvates in aqueous solution

    International Nuclear Information System (INIS)

    Marques, R.N.; Moraes, M. de; Ionashiro, M.

    1997-01-01

    The protonation constants of 4-methylbenzylidenepyruvate (4Me-BP) and 4-isopropylbenzylidenepyruvate (4IP-BP) as well as the stability constants of their binary 1:1 complexes with Cu(II), La(III), Pr(III), Sm(III), Eu(III), Yb(III), Sc(III) and Th(IV) have been determined spectrophotometrically in aqueous solution at 25 C and ionic strength 0.500 M, maintained with sodium perchlorate. For all metal ions considered, the stability changes move in the same direction as the pK a of the ligands. Linear free energy relationships, as applied to oxygen donor substances, suggest the -COCOO - moiety as the metal binding site of the ligands. The results are discussed mainly taking into account that benzylidenepyruvates, besides the α-keto canonical form, may display other forms in aqueous solution with changing pH and the possible occurrence of extra intra-ligand charge polarization, induced by metal ions. (orig.)

  14. Solvation and complexation study by fluorescence spectroscopy of Eu(III) and Cm(III) ions in octanol solution and at the interface with water

    International Nuclear Information System (INIS)

    Vu, T.H.

    2008-01-01

    Polydentate N-donors ligands like bis-triazine-pyridine (BTP) and bis-triazine-bis-pyridine (BTBP) can selectively extract minor actinides (III) from lanthanides (III) ions and therefore have been studied in the field of nuclear waste reprocessing. The aim of the researches carried out during this thesis is a better description of this family in biphasic systems: speciation in the organic phase and around the interfacial area. After an exhaustive description of the solvation of europium(III) cation in mixed solutions n-octanol water with TRLIF spectrometry, the complexation with nitrogen ligands iPr-BTP, C5-BTBP and CyMe4-BTBP has been studied by TRLIF and ESI-MS techniques. For each compound, the inner sphere of europium has been described and the conditional stability constants determined. The composition of the organic medium, and particularly the hydration degree of n-octanol, has an impact on the nature and the ratio of species 'cation - counter ion - ligand - water'. With high water content (representative of extraction systems), the complexes observed with Cm(III) and Eu(III) have the same stoichiometry but the affinity towards the curium cation is higher and consistent to separation factors measured with biphasic systems. The method TIRF (total internal reflection fluorescence) was retained to study the behaviour of europium(III) inside the interfacial area. Fluorescence spectra of europium have been obtained but side signals and the high depth resolution of detection lead to difficulty in obtaining the signal of interfacial europium alone. The selected technique remains promising but some improvements need to be implemented for forthcoming measurement at liquid/liquid interface. (author) [fr

  15. Study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel

    International Nuclear Information System (INIS)

    Ismailova, M.M.; Egorova, L.A.; Khamidov, B.O.

    1993-01-01

    Present article is devoted to study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel. The condition of cobalt in various rate of oxidation in acrylamide aqueous solutions was studied. The concentration conditions of stability of system Co(II)-Co(III) were defined. The composition of coordination compounds of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel was determined.

  16. Extraction of iron(III) with diphenyl-2-pyridylmethane dissolved in benzene from aqueous chloride solutions

    International Nuclear Information System (INIS)

    Suhail Ahmed; Shamas-Ud-Zuha; Abdul Ghafoor; Ejaz, M.

    1978-01-01

    The mechanism of extraction has been investigated by partition, slope analysis and loading-ratio data. The results obtained give a picture of the mechanism of extraction of FeCl 4 - ions in relation to the hydration and solvation of the compound extracted. The possible formula of the extracted species is (DPPM)sub(3)Hsub(3)Osup(+)(Hsub(2)O)sub(n)-FeClsub(4)sup(-). In dilute aqueous hydrochloric acid systems the influence of the concentration of a number of salts with cations of different electrical potentials (Ze/r), on iron(III) extraction, has been studied. Splitting of the organic phases occurs at high acid and/or high salt concentrations. The phenomenon is explained on the basis of the variability of the hydration number. Investigations have been made to understand the parameters controlling the extraction of the metal and it is shown that the extraction offers a simple, fast and selective separation method of iron from solutions. (author)

  17. Selective removal of cesium from aqueous solutions with nickel (II) hexacyanoferrate (III) functionalized agricultural residue–walnut shell

    International Nuclear Information System (INIS)

    Ding, Dahu; Lei, Zhongfang; Yang, Yingnan; Feng, Chuanping; Zhang, Zhenya

    2014-01-01

    Highlights: • Novel biosorbent for cesium removal was derived from agricultural residue. • It could remove cesium effectively from aqueous solution. • Large size of granules makes it easy to be separated from solutions. • The volume of used biosorbent could be significantly reduced after incineration. • Incinerated biosorbent has a low volume and a low cost final disposal. - Abstract: A novel nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell (Ni II HCF III -WS) was developed to selectively remove cesium ion (Cs + ) from aqueous solutions. This paper showed the first integral study on Cs + removal behavior and waste reduction analysis by using biomass adsorption material. The results indicated that the removal process was rapid and reached saturation within 2 h. As a special characteristic of Ni II HCF III -WS, acidic condition was preferred for Cs + removal, which was useful for extending the application scope of the prepared biomass material in treating acidic radioactive liquid waste. The newly developed Ni II HCF III -WS could selectively remove Cs + though the coexisting ions (Na + and K + in this study) exhibited negative effects. In addition, approximately 99.8% (in volume) of the liquid waste was reduced by using Ni II HCF III -WS and furthermore 91.9% (in volume) of the spent biomass material (Cs-Ni II HCF III -WS) was reduced after incineration (at 500 °C for 2 h). Due to its relatively high distribution coefficient and significant volume reduction, Ni II HCF III -WS is expected to be a promising material for Cs + removal in practice

  18. Selective removal of cesium from aqueous solutions with nickel (II) hexacyanoferrate (III) functionalized agricultural residue–walnut shell

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Dahu, E-mail: dingdahu@gmail.com [Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan); Lei, Zhongfang; Yang, Yingnan [Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan); Feng, Chuanping [School of Water Resources and Environment, China University of Geosciences (Beijing), Key Laboratory of Groundwater Circulation and Evolution, Ministry of Education, Beijing 100083 (China); Zhang, Zhenya, E-mail: zhang.zhenya.fu@u.tsukuba.ac.jp [Graduate School of Life and Environmental Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8572 (Japan)

    2014-04-01

    Highlights: • Novel biosorbent for cesium removal was derived from agricultural residue. • It could remove cesium effectively from aqueous solution. • Large size of granules makes it easy to be separated from solutions. • The volume of used biosorbent could be significantly reduced after incineration. • Incinerated biosorbent has a low volume and a low cost final disposal. - Abstract: A novel nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell (Ni{sup II}HCF{sup III}-WS) was developed to selectively remove cesium ion (Cs{sup +}) from aqueous solutions. This paper showed the first integral study on Cs{sup +} removal behavior and waste reduction analysis by using biomass adsorption material. The results indicated that the removal process was rapid and reached saturation within 2 h. As a special characteristic of Ni{sup II}HCF{sup III}-WS, acidic condition was preferred for Cs{sup +} removal, which was useful for extending the application scope of the prepared biomass material in treating acidic radioactive liquid waste. The newly developed Ni{sup II}HCF{sup III}-WS could selectively remove Cs{sup +} though the coexisting ions (Na{sup +} and K{sup +} in this study) exhibited negative effects. In addition, approximately 99.8% (in volume) of the liquid waste was reduced by using Ni{sup II}HCF{sup III}-WS and furthermore 91.9% (in volume) of the spent biomass material (Cs-Ni{sup II}HCF{sup III}-WS) was reduced after incineration (at 500 °C for 2 h). Due to its relatively high distribution coefficient and significant volume reduction, Ni{sup II}HCF{sup III}-WS is expected to be a promising material for Cs{sup +} removal in practice.

  19. Selective removal of cesium from aqueous solutions with nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell.

    Science.gov (United States)

    Ding, Dahu; Lei, Zhongfang; Yang, Yingnan; Feng, Chuanping; Zhang, Zhenya

    2014-04-15

    A novel nickel (II) hexacyanoferrate (III) functionalized agricultural residue-walnut shell (Ni(II)HCF(III)-WS) was developed to selectively remove cesium ion (Cs(+)) from aqueous solutions. This paper showed the first integral study on Cs(+) removal behavior and waste reduction analysis by using biomass adsorption material. The results indicated that the removal process was rapid and reached saturation within 2h. As a special characteristic of Ni(II)HCF(III)-WS, acidic condition was preferred for Cs(+) removal, which was useful for extending the application scope of the prepared biomass material in treating acidic radioactive liquid waste. The newly developed Ni(II)HCF(III)-WS could selectively remove Cs(+) though the coexisting ions (Na(+) and K(+) in this study) exhibited negative effects. In addition, approximately 99.8% (in volume) of the liquid waste was reduced by using Ni(II)HCF(III)-WS and furthermore 91.9% (in volume) of the spent biomass material (Cs-Ni(II)HCF(III)-WS) was reduced after incineration (at 500°C for 2h). Due to its relatively high distribution coefficient and significant volume reduction, Ni(II)HCF(III)-WS is expected to be a promising material for Cs(+) removal in practice. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Detection of the electronic structure of iron-(iii)-oxo oligomers forming in aqueous solutions.

    Science.gov (United States)

    Seidel, Robert; Kraffert, Katrin; Kabelitz, Anke; Pohl, Marvin N; Kraehnert, Ralph; Emmerling, Franziska; Winter, Bernd

    2017-12-13

    The nature of the small iron-oxo oligomers in iron-(iii) aqueous solutions has a determining effect on the chemical processes that govern the formation of nanoparticles in aqueous phase. Here we report on a liquid-jet photoelectron-spectroscopy experiment for the investigation of the electronic structure of the occurring iron-oxo oligomers in FeCl 3 aqueous solutions. The only iron species in the as-prepared 0.75 M solution are Fe 3+ monomers. Addition of NaOH initiates Fe 3+ hydrolysis which is followed by the formation of iron-oxo oligomers. At small enough NaOH concentrations, corresponding to approximately [OH]/[Fe] = 0.2-0.25 ratio, the iron oligomers can be stabilized for several hours without engaging in further aggregation. Here, we apply a combination of non-resonant as well as iron 2p and oxygen 1s resonant photoelectron spectroscopy from a liquid microjet to detect the electronic structure of the occurring species. Specifically, the oxygen 1s partial electron yield X-ray absorption (PEY-XA) spectra are found to exhibit a peak well below the onset of liquid water and OH - (aq) absorption. The iron 2p absorption gives rise to signal centered between the main absorption bands typical for aqueous Fe 3+ . Absorption bands in both PEY-XA spectra are found to correlate with an enhanced photoelectron peak near 20 eV binding energy, which demonstrates the sensitivity of resonant photoelectron (RPE) spectroscopy to mixing between iron and ligand orbitals. These various signals from the iron-oxo oligomers exhibit maximum intensity at [OH]/[Fe] = 0.25 ratio. For the same ratio, we observe changes in the pH as well as in complementary Raman spectra, which can be assigned to the transition from monomeric to oligomeric species. At approximately [OH]/[Fe] = 0.3 we begin to observe particles larger than 1 nm in radius, detected by small-angle X-ray scattering.

  1. Classical solutions of some field theoretic models

    International Nuclear Information System (INIS)

    Zakrzewski, W.J.

    1982-01-01

    In recent years much attention has been paid to simpler fields theories, so chosen that they possess several properties of nonabelian gauge theories. They preserve the conformal invariance of the action and one can define the topological charge for them. They possess nontrivial solutions to the equations of motion. The perturbation theory based on the fluctuations around each solution is characterized by asymptotic freedom. A model called CP sup(n-1) is presented and some models which are its natural generalizations are discussed. (M.F.W.)

  2. Solvent Extraction and Separation of Chromium(III) and (V I) in Aqueous Solutions with Trioctylphosphine Oxide

    International Nuclear Information System (INIS)

    Sekine, T.; Yamada, M.

    1999-01-01

    The solvent extraction of chromium(III) and (V I) in aqueous solutions with a solvating type extractant, trioctylphosphine oxide(TOPO), in hexane is studied. Kinetically inert Cr 3+ is extracted from 1 mol dm -3 sodium perchlorate solution very quickly and quantitatively as Cr(H 2 O · TOPO) 6 3+ (CIO 4 -) 3 . Chromium(V I) in hydrochloric acid is extracted effectively as the H 2 CrO $ (H CI) n centre dot TOPO m species ( m = 2 or 3, n = 0 to 2) and the distribution ratio increased by an increase in the acid concentration. From these, a procedure is proposed for the extraction of both chromium(V I) and chromium(III) in aqueous solution separately with 0.1 mol dm -3 TOPO in hexane

  3. Sensitivity analysis of the terrestrial food chain model FOOD III

    International Nuclear Information System (INIS)

    Zach, Reto.

    1980-10-01

    As a first step in constructing a terrestrial food chain model suitable for long-term waste management situations, a numerical sensitivity analysis of FOOD III was carried out to identify important model parameters. The analysis involved 42 radionuclides, four pathways, 14 food types, 93 parameters and three percentages of parameter variation. We also investigated the importance of radionuclides, pathways and food types. The analysis involved a simple contamination model to render results from individual pathways comparable. The analysis showed that radionuclides vary greatly in their dose contribution to each of the four pathways, but relative contributions to each pathway are very similar. Man's and animals' drinking water pathways are much more important than the leaf and root pathways. However, this result depends on the contamination model used. All the pathways contain unimportant food types. Considering the number of parameters involved, FOOD III has too many different food types. Many of the parameters of the leaf and root pathway are important. However, this is true for only a few of the parameters of animals' drinking water pathway, and for neither of the two parameters of mans' drinking water pathway. The radiological decay constant increases the variability of these results. The dose factor is consistently the most important variable, and it explains most of the variability of radionuclide doses within pathways. Consideration of the variability of dose factors is important in contemporary as well as long-term waste management assessment models, if realistic estimates are to be made. (auth)

  4. Compacton solutions and multiple compacton solutions for a continuum Toda lattice model

    International Nuclear Information System (INIS)

    Fan Xinghua; Tian Lixin

    2006-01-01

    Some special solutions of the Toda lattice model with a transversal degree of freedom are obtained. With the aid of Mathematica and Wu elimination method, more explicit solitary wave solutions, including compacton solutions, multiple compacton solutions, peakon solutions, as well as periodic solutions are found in this paper

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

    Science.gov (United States)

    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.

  6. Solutions to the relativistic precession model

    NARCIS (Netherlands)

    Ingram, A.; Motta, S.

    2014-01-01

    The relativistic precession model (RPM) can be used to obtain a precise measurement of the mass and spin of a black hole when the appropriate set of quasi-periodic oscillations is detected in the power-density spectrum of an accreting black hole. However, in previous studies, the solution of the RPM

  7. Smooth solutions for the dyadic model

    International Nuclear Information System (INIS)

    Barbato, David; Morandin, Francesco; Romito, Marco

    2011-01-01

    We consider the dyadic model, which is a toy model to test issues of well-posedness and blow-up for the Navier–Stokes and Euler equations. We prove well-posedness of positive solutions of the viscous problem in the relevant scaling range which corresponds to Navier–Stokes. Likewise we prove well-posedness for the inviscid problem (in a suitable regularity class) when the parameter corresponds to the strongest transport effect of the nonlinearity

  8. Surgical solution of subglottic stenosis graded III by Cotton in a child

    International Nuclear Information System (INIS)

    Sebova, I.; Sittel, Ch.

    2017-01-01

    The solution of laryngotracheal (LT) stenoses of a higher degree in children is a serious problem. Sometimes they arise due to iatrogenic trauma caused by long-term intubation through surface pressure of the intubation tube in the ring cartilage area. 50% of inborn LT stenoses are connected with systematic congenital developmental defects. The case history describes a case of a boy 5.5 years old born prematurely as the first one of twins and immediately after birth he had to be intubed due to the breathing problems. His twin had exited. The patient spent 41 days on pulmonary ventilation, survived sepsis, newborn jaundice, anaemia, then bronchopulmonary dysplasia and central hypotonic syndrome were found. The first attempt with extubation after the treatment was unsuccessful. Besides the pulmonary findings subglottic stenosis of insignificant grade was stated and the 3-month-old child underwent planned tracheostomy. Subsequently the child went through surgical treatment of retinopathy in the prematured and scrotal hernia on both sides. In the course of several years he suffered from recurrence of acute respiratory tract inflammation, incl. bronchopneumonia, the respiratory tract was colonised by pathogenic chronic microflora. The child was repeatedly examined with the endoscope, granulations in the area of tracheostomy were removed. Though the finding in the larynx - persisting narrowing - has been considered unimportant for several years, in spite of this some further unsuccessful attempts with decannulation of the child followed. In the meantime the patient was followed up as a long-time cannula patient at DORLK LF UK and DFNsP in Bratislava, his tracheostomy cannulas were exchanged. At the age of 5 surgical treatment of subglottic stenosis graded III by Cotton in the child was proposed. In February 2016 partial cricotracheal resection (PCTR) was performed applying LT Mold at the Clinic for Ear, Nose and Throat Disorders, Plastic Surgery at the City Hospital in

  9. Recirculating cooling water solute depletion models

    International Nuclear Information System (INIS)

    Price, W.T.

    1990-01-01

    Chromates have been used for years to inhibit copper corrosion in the plant Recirculating Cooling Water (RCW) system. However, chromates have become an environmental problem in recent years both in the chromate removal plant (X-616) operation and from cooling tower drift. In response to this concern, PORTS is replacing chromates with Betz Dianodic II, a combination of phosphates, BZT, and a dispersant. This changeover started with the X-326 system in 1989. In order to control chemical concentrations in X-326 and in systems linked to it, we needed to be able to predict solute concentrations in advance of the changeover. Failure to predict and control these concentrations can result in wasted chemicals, equipment fouling, or increased corrosion. Consequently, Systems Analysis developed two solute concentration models. The first simulation represents the X-326 RCW system by itself; and models the depletion of a solute once the feed has stopped. The second simulation represents the X-326, X-330, and the X-333 systems linked together by blowdown. This second simulation represents the concentration of a solute in all three systems simultaneously. 4 figs

  10. Coarse-Grained Modeling of Polyelectrolyte Solutions

    Science.gov (United States)

    Denton, Alan R.; May, Sylvio

    2014-03-01

    Ionic mixtures, such as electrolyte and polyelectrolyte solutions, have attracted much attention recently for their rich and challenging combination of electrostatic and non-electrostatic interparticle forces and their practical importance, from battery technologies to biological systems. Hydration of ions in aqueous solutions is known to entail ion-specific effects, including variable solubility of organic molecules, as manifested in the classic Hofmeister series for salting-in and salting-out of proteins. The physical mechanism by which the solvent (water) mediates effective interactions between ions, however, is still poorly understood. Starting from a microscopic model of a polyelectrolyte solution, we apply a perturbation theory to derive a coarse-grained model of ions interacting through both long-range electrostatic and short-range solvent-induced pair potentials. Taking these effective interactions as input to molecular dynamics simulations, we calculate structural and thermodynamic properties of aqueous ionic solutions. This work was supported by the National Science Foundation under Grant No. DMR-1106331.

  11. Chemical state analysis of iron(III) compounds precipitated homogeneously from solutions containing urea by means of Moessbauer spectrometry and x-ray diffractometry

    International Nuclear Information System (INIS)

    Ujihira, Yusuke; Ohyabu, Matashige; Murakami, Tetsuro; Horie, Tsuyoshi.

    1978-01-01

    Chemical states of iron(III) compounds, precipitated homogeneously by heating the iron(III) salt solution at 363 K in the presence of urea, was studied by means of Moessbauer spectrometry and X-ray diffractometry. The pH-time relation of urea hydrolysis revealed that the precipitation process from homogeneous solution is identical to the hydrolysis of iron(III) ion at pH around 2 under the homogeneous supply of OH - ion, which is generated by hydrolysis of urea. Accordingly, iron(III) oxide hydroxide or similar compounds to the hydrolysis products of iron(III) ion was precipitated by the precipitation from homogeneous solution methods. Akaganeite (β-FeOOH) was crystallized from 0.1 M iron(III) chloride solution. Goethite(α-FeOOH) and hematite(α-Fe 2 O 3 ) was precipitated from 0.1 M iron(III) nitrate solution, vigorous liberation of OH - ion favoring the crystallization of hematite. The addition of chloride ion to the solution resulted in the formation of akaganeite. Basic salt of iron sulfate[NH 4 Fe 3 (OH) 6 (SO 4 ) 2 ] and goethite were formed from 0.1 M iron(III) sulfate solution, the former being obtained in the more moderate condition of the urea hydrolysis ( 363 K). (author)

  12. Yunnan-III models for evolutionary population synthesis

    Science.gov (United States)

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

    2013-02-01

    We build the Yunnan-III evolutionary population synthesis (EPS) models by using the mesa stellar evolution code, BaSeL stellar spectra library and the initial mass functions (IMFs) of Kroupa and Salpeter, and present colours and integrated spectral energy distributions (ISEDs) of solar-metallicity stellar populations (SPs) in the range of 1 Myr to 15 Gyr. The main characteristic of the Yunnan-III EPS models is the usage of a set of self-consistent solar-metallicity stellar evolutionary tracks (the masses of stars are from 0.1 to 100 M⊙). This set of tracks is obtained by using the state-of-the-art mesa code. mesa code can evolve stellar models through thermally pulsing asymptotic giant branch (TP-AGB) phase for low- and intermediate-mass stars. By comparisons, we confirm that the inclusion of TP-AGB stars makes the V - K, V - J and V - R colours of SPs redder and the infrared flux larger at ages log(t/yr) ≳ 7.6 [the differences reach the maximum at log(t/yr) ˜ 8.6, ˜0.5-0.2 mag for colours, approximately two times for K-band flux]. We also find that the colour-evolution trends of Model with-TPAGB at intermediate and large ages are similar to those from the starburst99 code, which employs the Padova-AGB stellar library, BaSeL spectral library and the Kroupa IMF. At last, we compare the colours with the other EPS models comprising TP-AGB stars (such as CB07, M05, V10 and POPSTAR), and find that the B - V colour agrees with each other but the V-K colour shows a larger discrepancy among these EPS models [˜1 mag when 8 ≲ log(t/yr) ≲ 9]. The stellar evolutionary tracks, isochrones, colours and ISEDs can be obtained on request from the first author or from our website (http://www1.ynao.ac.cn/~zhangfh/). Using the isochrones, you can build your EPS models. Now the format of stellar evolutionary tracks is the same as that in the starburst99 code; you can put them into the starburst99 code and get the SP's results. Moreover, the colours involving other passbands

  13. Tannin-immobilized mesoporous silica bead (BT-SiO{sub 2}) as an effective adsorbent of Cr(III) in aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Huang Xin [Department of Biomass Chemistry and Engineering, Sichuan University, Chengdu 610065 (China); Liao Xuepin, E-mail: xpliao@scu.edu.cn [Department of Biomass Chemistry and Engineering, Sichuan University, Chengdu 610065 (China); Shi Bi [National Engineering Laboratory for Clean Technology of Leather Manufacture, Sichuan University, Chengdu 610065 (China)

    2010-01-15

    This study describes a new approach for the preparation of tannin-immobilized adsorbent by using mesoporous silica bead as the supporting matrix. Bayberry tannin-immobilized mesoporous silica bead (BT-SiO{sub 2}) was characterized by powder X-ray diffraction to verify the crystallinity, field-emission scanning electron microscopy to observe the surface morphology, and surface area and porosity analyzer to measure the mesoporous porous structure. Subsequently, the adsorption experiments to Cr(III) were applied to evaluate the adsorption performances of BT-SiO{sub 2}. It was found that the adsorption of Cr(III) onto BT-SiO{sub 2} was pH-dependent, and the maximum adsorption capacity was obtained in the pH range of 5.0-5.5. The adsorption capacity was 1.30 mmol g{sup -1} at 303 K and pH 5.5 when the initial concentration of Cr(III) was 2.0 mmol L{sup -1}. Based on proton nuclear magnetic resonance (HNMR) analyses, the adsorption mechanism of Cr(III) on BT-SiO{sub 2} was proved to be a chelating interaction. The adsorption kinetic data can be well described using pseudo-first-order model and the equilibrium data can be well fitted by the Langmuir isothermal model. Importantly, no bayberry tannin was leached out during the adsorption process and BT-SiO{sub 2} can simultaneously remove coexisting metal ions from aqueous solutions. In conclusion, this study provides a new strategy for the preparation of tannin-immobilized adsorbents that are highly effective in removal of heavy metals from aqueous solutions.

  14. Tannin-immobilized mesoporous silica bead (BT-SiO2) as an effective adsorbent of Cr(III) in aqueous solutions

    International Nuclear Information System (INIS)

    Huang Xin; Liao Xuepin; Shi Bi

    2010-01-01

    This study describes a new approach for the preparation of tannin-immobilized adsorbent by using mesoporous silica bead as the supporting matrix. Bayberry tannin-immobilized mesoporous silica bead (BT-SiO 2 ) was characterized by powder X-ray diffraction to verify the crystallinity, field-emission scanning electron microscopy to observe the surface morphology, and surface area and porosity analyzer to measure the mesoporous porous structure. Subsequently, the adsorption experiments to Cr(III) were applied to evaluate the adsorption performances of BT-SiO 2 . It was found that the adsorption of Cr(III) onto BT-SiO 2 was pH-dependent, and the maximum adsorption capacity was obtained in the pH range of 5.0-5.5. The adsorption capacity was 1.30 mmol g -1 at 303 K and pH 5.5 when the initial concentration of Cr(III) was 2.0 mmol L -1 . Based on proton nuclear magnetic resonance (HNMR) analyses, the adsorption mechanism of Cr(III) on BT-SiO 2 was proved to be a chelating interaction. The adsorption kinetic data can be well described using pseudo-first-order model and the equilibrium data can be well fitted by the Langmuir isothermal model. Importantly, no bayberry tannin was leached out during the adsorption process and BT-SiO 2 can simultaneously remove coexisting metal ions from aqueous solutions. In conclusion, this study provides a new strategy for the preparation of tannin-immobilized adsorbents that are highly effective in removal of heavy metals from aqueous solutions.

  15. A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models.

    Science.gov (United States)

    Ferbinteanu, Marilena; Kajiwara, Takashi; Choi, Kwang-Yong; Nojiri, Hiroyuki; Nakamoto, Akio; Kojima, Norimichi; Cimpoesu, Fanica; Fujimura, Yuichi; Takaishi, Shinya; Yamashita, Masahiro

    2006-07-19

    The binuclear [FeIII(bpca)(mu-bpca)Dy(NO3)4], having Single Molecule Magnet (SMM) properties, belonging to a series of isostructural FeIIILnIII complexes (Ln = Eu, Gd, Tb, Dy, Ho) and closely related FeIILnIII chain structures, was characterized in concise experimental and theoretical respects. The low temperature magnetization data showed hysteresis and tunneling. The anomalous temperature dependence of Mössbauer spectra is related to the onset of magnetic order, consistent with the magnetization relaxation time scale resulting from AC susceptibility measurements. The advanced ab initio calculations (CASSCF and spin-orbit) revealed the interplay of ligand field, spin-orbit, and exchange effects and probed the effective Ising nature of the lowest states, involved in the SMM and tunneling effects.

  16. Exact solutions for some discrete models of the Boltzmann equation

    International Nuclear Information System (INIS)

    Cabannes, H.; Hong Tiem, D.

    1987-01-01

    For the simplest of the discrete models of the Boltzmann equation: the Broadwell model, exact solutions have been obtained by Cornille in the form of bisolitons. In the present Note, we build exact solutions for more complex models [fr

  17. Degradation of two fluoroquinolone antibiotics photoinduced by Fe(III)-microalgae suspension in an aqueous solution.

    Science.gov (United States)

    Ge, Liyun; Deng, Huanhuan

    2015-04-01

    The widespread presence of fluoroquinolone antibiotics (FQs) in natural ecosystems is a health hazard for humans and other living organisms. In this work, the photochemical degradation process of two antibiotics in the presence of Fe(III) and marine microalgae has been studied. Two fluoroquinolone (FQ) antibiotics, enrofloxacin (ENR) and ciprofloxacin hydrochloride (CIP), and two marine microalgae, Platymonas subcordiformis and Isochrysis galbana, were investigated under irradiation with a high-pressure mercury lamp (HPML) in a laboratory-scale experiment. The effects of the initial concentration of antibiotics on the degradation of these two FQs in Fe(III)-algae suspensions were also investigated. On the basis of the information in this study, compared to other systems, the efficiency of photo-degradation of the two FQs is better at lower FQ concentrations in the Fe(III)-algae system. Moreover, the low initial concentration of antibiotics benefits the photochemical process of antibiotics. This work demonstrated that the Fe(III)-algae system is an interesting and valuable research area and could be considered as a promising photochemical system for seawater remediation.

  18. Hot electron-induced time-resolved electrogenerated chemiluminescence of a europium(III) label in fully aqueous solutions

    International Nuclear Information System (INIS)

    Jiang, Q.; Hakansson, M.; Spehar, A.-M.; Ahonen, J.; Ala-Kleme, T.; Kulmala, S.

    2006-01-01

    Time-resolved electrogenerated chemiluminescence of multidentate phenolic Eu(III) chelates were studied in aqueous solution. 2,6-bis[N,N-bis(carboxymethyl)-aminomethyl]-4-benzoylphenol forms a photoluminescent and electrochemiluminescent Eu(III) chelate, whereas 2,6-bis[N,N-bis(carboxymethyl)-aminomethyl]-4-methyl phenol-chelated Eu(III) turned out to be not luminescent at all. The importance of the redox properties of both the ground and the excited states of the ligands and the central ion is shown. The former chelate shows relatively weak ECL at an oxide-covered aluminum electrode but the ECL intensity can be strongly enhanced by the addition of peroxodisulfate ions. In the presence of 1 mM peroxodisulfate ions the ECL lifetime of this chelate is 0.94 ms, thus easily allowing time-resolved detection of the chelate. This chelate can be conjugated to antibodies by thioureido linkage and used as an electrochemiluminescent label in immunoassays as a marker which displays long-lived luminescence in the red end of the optical spectrum. The present ECL is mainly based on the ligand sensitized redox excitation of the chelate by analogous pathways to those known from the studies of aromatic Tb(III) chelates but the energy transfer from the emission centers of the aluminum oxide film can also have minor contribution to the excitation of the label

  19. Solubility behaviour of antimony(III) and antimony(V) solids in basic aqueous solutions at 300oC

    International Nuclear Information System (INIS)

    Lemire, R.J.; Tosello, N.B.; Halliday, J.D.

    1999-12-01

    The major contributions of the isotopes 122 Sb and 124 Sb to activity transport in a CANDU reactor primary heat transport system (HTS), have been associated with oxygen ingress during reactor shutdown. As part of a program to minimize the release and redeposition of these isotopes, the solubilities of antimony(III) and (V) oxides and salts have been measured in basic solutions at temperatures from 25 to 300 o C. The results provide information on the charge and the stability as a function of temperature of antimony solution species and, hence, a guide to the trends in the temperature dependence of the solubilities of antimony solids. In solutions in which oxidation of antimony(III) to antimony(V) is minimized, the solubility of Sb 2 O 3 increases by about two orders of magnitude between 25 and 200 o C, and then levels out or decreases slightly. At 250 o C, in oxidizing solutions, Sb 2 O 5 ·xH 2 O and simple sodium antimonate(V) were found to be unstable in sodium hydroxide solutions with respect to the solid, Na 2α [H(H 2 O)] 2-2α Sb 2 O 6 , which has a pyrochlore structure. The solubility of this partially protonated sodium antimonate increases from 25 to 200 o C and decreases at temperatures above 250 o C. These solubility changes for the antimony (V) solids reflect changes in the stability of the anionic antimony solution species (SbO 3 - or Sb(OH) 6 - ), even though the compositions of antimony-containing solids in basic oxidizing solutions are strongly dependent on the cations and their aqueous phase concentrations. All solids used in the present experiments would be expected to generate total solution antimony concentrations ≥ 0.00005 mol·dm -3 in any neutral or basic aqueous solutions (assuming no added sodium salts). Therefore, under HTS conditions, precipitation of any antimony oxides or mixed oxides is unlikely. It cannot be ruled out that hydrated Sb 2 O 5 (especially the pyrochlore form) might be less soluble in near-neutral, low

  20. Kinetic determination of ultramicro amounts of As(III in solution

    Directory of Open Access Journals (Sweden)

    RANGEL P. IGOV

    2003-02-01

    Full Text Available A new catalytic reaction is proposed and a kinetic method developed for the determination of ultramicro amounts of As(III on the basis of its catalytic activity in the oxidation of ethylenediamine-N,N’-diacetic-N,N’ dipropionic acid (EAP by KMnO4 in the presence of hydrochloric acid. Under optimal conditions, the sensivity of the method is 20 ng/cm3. The probable relative error is 7.6 – 14.5 % for the concentration range 50 – 200 ng/cm3 As(III. The effect of certain foreign ions upon the reaction rate were determined for the assessment of the selectivity of the method. The method has relatively good selectivity. Kinetic equations were proposed for the investigated process.

  1. Existence of Periodic Solutions and Stability of Zero Solution of a Mathematical Model of Schistosomiasis

    Directory of Open Access Journals (Sweden)

    Lin Li

    2014-01-01

    Full Text Available A mathematical model on schistosomiasis governed by periodic differential equations with a time delay was studied. By discussing boundedness of the solutions of this model and construction of a monotonic sequence, the existence of positive periodic solution was shown. The conditions under which the model admits a periodic solution and the conditions under which the zero solution is globally stable are given, respectively. Some numerical analyses show the conditional coexistence of locally stable zero solution and periodic solutions and that it is an effective treatment by simply reducing the population of snails and enlarging the death ratio of snails for the control of schistosomiasis.

  2. Synthesis of Ce(III)-doped Fe3O4 magnetic particles for efficient removal of antimony from aqueous solution

    International Nuclear Information System (INIS)

    Qi, Zenglu; Joshi, Tista Prasai; Liu, Ruiping; Liu, Huijuan; Qu, Jiuhui

    2017-01-01

    Highlights: • Doping of Ce into Fe 3 O 4 was achieved based on a facile solvothermal method. • After doping, the removal capacity was increased by 5 times for “Sb(V)” and 2 times for “Sb(III)”. • Decreasing pH improved adsorption of Sb(V) but decreased adsorption of Sb(III). • Antimony sorption mechanisms on Ce-doped Fe 3 O 4 were illustrated. - Abstract: Aqueous antimony (Sb) pollution from human activity is of great concern in drinking water due to its adverse health effect. Magnetic Fe 3 O 4 particles, with high separation ability from solution, have been considered as a low-cost Sb adsorbent for contaminants. However, the limited adsorption capacity has restricted its practical application. In this study, a solvothermal approach was developed for doping Ce(III) into Fe 3 O 4 , thereby increasing the adsorption efficacy for both Sb(III) and Sb(V). In contrast to un-doped Fe 3 O 4 , the adsorption capacity towards Sb(III) and Sb(V) in Ce-doped materials increased from 111.4 to 224.2 mg/g and from 37.2 to 188.1 mg/g at neutral pH, respectively. Based on the combined results of XPS, XRD, and FTIR, it confirmed that Ce atom successfully doped into the Fe 3 O 4 structure, resulting in the decreased particle size, increased the surface area, and isoelectric point. Furthermore, the vibrating sample magnetometer (VSM) results showed that the Ce doping process had some side effects on the primitive magnetic property, but remaining the high separation potential during water treatment. According to the high removal efficiency and magnetic property, the Ce-doped Fe 3 O 4 of great simplicity should be a promising adsorbent for aqueous Sb removal.

  3. Solution and gas phase evidence of anion binding through the secondary bonding interactions of a bidentate bis-antimony(iii) anion receptor.

    Science.gov (United States)

    Qiu, J; Song, B; Li, X; Cozzolino, A F

    2017-12-20

    The solution and gas phase halide binding to a bis-antimony(iii) anion receptor was studied. This new class of anion receptors utilizes the strong Sb-centered secondary bonding interactions (SBIs) that are formed opposite to the polar Sb-O primary bond. 1 H NMR titration data were fitted statistically to binding models and solution-phase binding energetics were extracted, while the formation of anion-to-receptor complexes was observed using ESI-MS. Density functional theory calculations suggest that their affinity towards binding halide anions is mitigated by the strong explicit solvation effect in DMSO, which gives insights into future designs that circumvent direct solvent binding and are anticipated to yield tighter and perhaps more selectivity in anion binding.

  4. A DFT/TDDFT study of the structural and spectroscopic properties of Al(III) complexes with 4-nitrocatechol in acidic aqueous solution

    International Nuclear Information System (INIS)

    Cornard, Jean-Paul; Lapouge, Christine; Merlin, Jean-Claude

    2007-01-01

    The complexation of 4-nitrocatechol in aqueous solution at pH 5 has been studied by molecular spectroscopy combined with quantum chemical calculations. In these physico-chemical conditions, the formation of the two complexes [4ncatAl(H 2 O) 4 ] + and [(4ncat) 2 Al(H 2 O) 2 ] - has been highlighted. The electronic absorption spectra of the 1:1 and 1:2 complexes of Al(III) with 4-nitrocatechol have been computed using the time-dependent density functional theory and the polarizable continuum model. It turns out that the 6-311+G(d,p) basis set provides a good agreement between experimental and theoretical absorption spectra. This good agreement has allowed the determination of the preferential conformation of the 1:2 complex in aqueous solution. A complete assignment of the UV-Vis absorption and Raman spectra of the complexes has been proposed

  5. Investigation of the State of Radionuclides in Ultramicroconcentrations by the Method of a Horizontal Zone Electrophoresis in a Free Electrolyte. Ions of In(III) in Aqueous Solutions

    CERN Document Server

    Bontchev, G D; Priemyshev, A N; Bozhikov, G A; Filossofov, D V; Ivanov, P I; Maslov, O D; Milanov, M V; Dmitriev, S N

    2000-01-01

    Using the electromigration method in a free electrolyte the behaviour of In(III) in some water solutions has been investigated. Data on electrophoretic mobility of In(III) as well as its complexes with DTPA and EDTA in a wide range of pH and temperature have been collected. On the basis of experimental results the diffusion coefficient of In(III) and concentration stability constant of a complex [InDTPA]^2- have been estimated.

  6. Methylamine-hydrogen exchange Part III. Physicochemical properties of amide-amine solutions

    International Nuclear Information System (INIS)

    Srinivasa, K.; Dave, S.M.

    1983-01-01

    Different physicochemical properties of potassium methylamide/methylamine solutions have been compiled and reviewed. These properties will be quite useful in design calculations for plants based on amine-hydrogen exchange for the production of heavy water. (author)

  7. The Efficiency of Strontium-90 Desorption Using Iron (III) Solutions in the Decontamination Process of Radioactive Soils

    OpenAIRE

    Olga Vladimirovna Cheremisina; Vasiliy Sergeev; Varvara Alabusheva; Alexander Fedorov; Alexandra Iliyna

    2018-01-01

    The paper presents the investigation on the estimated efficiency of iron (III) chloride solutions in the decontamination process of radioactive soils with 90 Sr, according to kinetic and thermodynamic characteristics of the desorption process. The specific 90 Sr radioactivity of soil samples was (3.9±0.3)·104 Bq·g. The adsorption isotherms of Sr 2+ and Fe 3+ are described with the Langmuir equation. The values of Gibbs energy G0298 = -4.65 kJ·mol -1 and equilibrium ion exchange constant ...

  8. Initial Stages in the Rhodium(III)-Catalyzed C-H Bond Activation of Primary Alcohols in Aqueous Solution

    DEFF Research Database (Denmark)

    Eriksen, J.; Monsted, L.; Monsted, O.

    2010-01-01

    The mechanism of the catalytic HID exchange in primary alcohol substrates derived from aldopentoses, promoted by a macrocyclic rhodium(III) complex, has been shown to occur by a reversible redox reaction that gives aldehyde and a rhodium hydride complex. Hydride exchange in the latter complex...... promotes the introduction of solvent hydrogen in the primary alcohol formed by the reverse reaction. The hydride complex has been crystallographically characterized as a trifluoromethanesulfonate salt that contains the trans-[Rh(cycb)(H)(OH2)](2+) (cycb = rac-5,5,7,12,12,14-hexamethyl-1......,4,8,11-tetraazacyclotetradecane) cation. The hydride complex is stable for extended periods of time in acidic solution in the absence of oxidants. In basic solutions a series of base-catalyzed reactions take place to yield ultimately the same mixture of [Rh(cycb)(OH)(2)](+) isomers as produced by base hydrolysis of the trans...

  9. Effective As(III) Removal by A Multi-Charged Hydroacid Complex Draw Solute Facilitated Forward Osmosis-Membrane Distillation (FO-MD) Processes

    KAUST Repository

    Ge, Qingchun; Han, Gang; Chung, Neal Tai-Shung

    2016-01-01

    © 2016 American Chemical Society. Effective removal of As(III) from water by an oxalic acid complex with the formula of Na3[Cr(C2O4)3] (Na-Cr-OA) is demonstrated via an forward osmosis-membrane distillation (FO-MD) hybrid system in this study. Na-Cr-OA first proved its superiority as a draw solute with high water fluxes and negligible reverse fluxes in FO, then a systematic investigation of the Na-Cr-OA promoted FO process was conducted to ascertain the factors in As(III) removal. Relatively high water fluxes of 28 LMH under the FO mode and 74 LMH under the pressure retarded osmosis (PRO) mode were achieved when using a 1000 ppm As(III) solution as the feed and 1.0 M Na-Cr-OA as the draw solution at 60 °C. As(III) removal with a water recovery up to 21.6% (FO mode) and 48.3% (PRO mode) were also achieved in 2 h. An outstanding As(III) rejection with 30-3000 μg/L As(III) in the permeate was accomplished when As(III) feed solutions varied from 5 × 104 to 1 × 106 μg/L, superior to the best FO performance reported for As(III) removal. Incorporating MD into FO not only makes As(III) removal sustainable by reconcentrating the Na-Cr-OA solution simultaneously, but also reduces the As(III) concentration below 10 μg/L in the product water, meeting the WHO standard.

  10. Effective As(III) Removal by A Multi-Charged Hydroacid Complex Draw Solute Facilitated Forward Osmosis-Membrane Distillation (FO-MD) Processes.

    Science.gov (United States)

    Ge, Qingchun; Han, Gang; Chung, Tai-Shung

    2016-03-01

    Effective removal of As(III) from water by an oxalic acid complex with the formula of Na3[Cr(C2O4)3] (Na-Cr-OA) is demonstrated via an forward osmosis-membrane distillation (FO-MD) hybrid system in this study. Na-Cr-OA first proved its superiority as a draw solute with high water fluxes and negligible reverse fluxes in FO, then a systematic investigation of the Na-Cr-OA promoted FO process was conducted to ascertain the factors in As(III) removal. Relatively high water fluxes of 28 LMH under the FO mode and 74 LMH under the pressure retarded osmosis (PRO) mode were achieved when using a 1000 ppm As(III) solution as the feed and 1.0 M Na-Cr-OA as the draw solution at 60 °C. As(III) removal with a water recovery up to 21.6% (FO mode) and 48.3% (PRO mode) were also achieved in 2 h. An outstanding As(III) rejection with 30-3000 μg/L As(III) in the permeate was accomplished when As(III) feed solutions varied from 5 × 10(4) to 1 × 10(6) μg/L, superior to the best FO performance reported for As(III) removal. Incorporating MD into FO not only makes As(III) removal sustainable by reconcentrating the Na-Cr-OA solution simultaneously, but also reduces the As(III) concentration below 10 μg/L in the product water, meeting the WHO standard.

  11. Effective As(III) Removal by A Multi-Charged Hydroacid Complex Draw Solute Facilitated Forward Osmosis-Membrane Distillation (FO-MD) Processes

    KAUST Repository

    Ge, Qingchun

    2016-01-29

    © 2016 American Chemical Society. Effective removal of As(III) from water by an oxalic acid complex with the formula of Na3[Cr(C2O4)3] (Na-Cr-OA) is demonstrated via an forward osmosis-membrane distillation (FO-MD) hybrid system in this study. Na-Cr-OA first proved its superiority as a draw solute with high water fluxes and negligible reverse fluxes in FO, then a systematic investigation of the Na-Cr-OA promoted FO process was conducted to ascertain the factors in As(III) removal. Relatively high water fluxes of 28 LMH under the FO mode and 74 LMH under the pressure retarded osmosis (PRO) mode were achieved when using a 1000 ppm As(III) solution as the feed and 1.0 M Na-Cr-OA as the draw solution at 60 °C. As(III) removal with a water recovery up to 21.6% (FO mode) and 48.3% (PRO mode) were also achieved in 2 h. An outstanding As(III) rejection with 30-3000 μg/L As(III) in the permeate was accomplished when As(III) feed solutions varied from 5 × 104 to 1 × 106 μg/L, superior to the best FO performance reported for As(III) removal. Incorporating MD into FO not only makes As(III) removal sustainable by reconcentrating the Na-Cr-OA solution simultaneously, but also reduces the As(III) concentration below 10 μg/L in the product water, meeting the WHO standard.

  12. Exact solution of super Liouville model

    International Nuclear Information System (INIS)

    Yang Zhanying; Zhao Liu; Zhen Yi

    2000-01-01

    Using Leznov-Saveliev algebraic analysis and Drinfeld-Sokolov construction, the authors obtained the explicit solutions to the super Liouville system in super covariant form and component form. The explicit solution in component form reduces naturally into the Egnchi-Hanson instanton solution of the usual Liouville equation if all the Grassmann odd components are set equal to zero

  13. The Efficiency of Strontium-90 Desorption Using Iron (III Solutions in the Decontamination Process of Radioactive Soils

    Directory of Open Access Journals (Sweden)

    Olga Vladimirovna Cheremisina

    2018-03-01

    Full Text Available The paper presents the investigation on the estimated efficiency of iron (III chloride solutions in the decontamination process of radioactive soils with 90 Sr, according to kinetic and thermodynamic characteristics of the desorption process. The specific 90 Sr radioactivity of soil samples was (3.9±0.3·104 Bq·g. The adsorption isotherms of Sr 2+ and Fe 3+ are described with the Langmuir equation. The values of Gibbs energy G0298 = -4.65 kJ·mol -1 and equilibrium ion exchange constant Keq = 6,5 confirm the hypothesis of strontium removal from soils with iron (III cations. The effectiveness of the method is substantiated by experimental and calculated results of this study samples of radioactive soils are deactivated in 90% after 9.5 hours, whereas the kinetic constant is 6.77·10 s -1 . The suggested method of soil cleanup with 0.2 M Fe 3+ solutions is optimal and complies with the environmental requirements.

  14. Quality assessment in in vivo NMR spectroscopy: III. Clinical test objects: design, construction, and solutions

    DEFF Research Database (Denmark)

    Leach, M.O.; Collins, D.J.; Keevil, S

    1995-01-01

    /Perspex interface produced minimum susceptibility effects. The design of the objects has been evaluated in trials on different magnetic resonance instruments, with size and loading being adjusted to allow use on currently available equipment. Appropriate test solutions for 31P and 1H measurements have been...

  15. Multisensor system for determination of iron(II), iron(III) and uranium(VI) in complex solutions

    International Nuclear Information System (INIS)

    Legin, A.V.; Seleznev, B.L.; Rudnitskaya, A.M.; Vlasov, Yu.G.

    1998-01-01

    The aim of the present paper is the development and analytical evaluation of a multisensor system for determination of low content of iron(II), iron(III) and uranium(VI) in complex aqueous media. Sensor array included sensors on the basis of chalcogenide vitreous materials with redox and ionic cross-sensitivities, crystalline silver sulphide electrode, noble metal electrodes Pt, Au, Ag and redox sensor on the basis of oxide glass. Potentiometric measurements have been taken in a conventional electrochemical cell vs. a standard Ag/AgCl reference electrode. All measurements have been taken at room temperature. Calibration solutions contained UO 2 (NO 3 ) 2 in concentration range 10 -6 -1,610 -5 mol/L, K 3 Fe(CN) 6 and K 4 Fe(CN) 6 or FeSO 4 (NH 4 ) 2 SO 4 and FeCl 3 , with the ratio of Fe(II)/Fe(III) concentration from 100:1 to 1:100, the total concentration of Fe was 10 -4 and 10 -5 mol/L. All solutions have been made on the background electrolyte of calcium and magnesium chlorides and sulphates with the fixed content of 5-27 mmol/L of each component which is a typical one for groundwater or mining water. Sensor potentials have been processed by a back-propagation artificial neural net. Average error of determination of Fe(II) and Fe(III) is about 20 %, of uranium(VI) - 40 %. It was found that sensitivity of the sensor array to iron and uranium is irrespective of the chemical form of these species

  16. Vortex solutions in a Witten-type model

    International Nuclear Information System (INIS)

    Itaya, Satoru; Sawado, Nobuyuki; Suzuki, Michitaka

    2014-01-01

    Straight line vortex solutions in a Witten's superconducting string model are studied. The model has many parameters and this is the main reason of the complexity. We argue the precise conditions of the parameters for finding the solutions of the model. We obtain the rotationally symmetric solutions for the winding numbers m = 1 - 4 with/without the gauge field. For the higher winding numbers, an energy minimization algorithm is used to investigate non-rotational solutions

  17. Transport behaviour of the lanthanide 152Eu(III), 153Gd(III) and 170Tm(III) and transplutonium element 254Es(III), 244Cm(III), 241Am(III), 249Cf(III) and 249Bk(III) ions in aqueous solutions at 298 K

    International Nuclear Information System (INIS)

    Ouerfelli, N.

    2014-01-01

    Ionic self-diffusion coefficients (D) for trivalent radiotracers, lanthanide and actinide ions have been determined in concentrated aqueous solutions of supporting electrolytes of Gd(NO 3 ) 3 -HNO 3 or Nd(ClO 3 ) 4 -HClO 4 up to 1.5 mol L -1 at 298.15 K and pH 2.50 by the open-end capillary method. The data obtained in large range of concentrations, allow to derive the limiting value D deg, the validity of the Onsager limiting law and a more extended law. This study contributes to demonstrate similarities in transport and structure properties between 4f and 5f trivalent ions explained by a similar electronic configuration, ionic radius and hydration number. An empirical equation is suggested for predicting ionic hydration number with a good precision. (author)

  18. Hydration of the lanthanide ions 152Eu(III), 153Gd(III) and 170Tm(III) in aqueous solutions at 298 K and similarity with the transplutonium element ions 254Es(III), 244Cm(III), 241Am(III), 249Cf(III) and 249Bk(III)

    International Nuclear Information System (INIS)

    Ouerfelli, N.; Latrous, H.; Ammar, M.; Das, D.; Oliver, J.

    2013-01-01

    The open-end capillary method is used for the determination of ionic self-diffusion coefficients (D) for trivalent radiotracer, lanthanide and actinide ions are reported in concentrated aqueous solutions of supporting electrolytes of Gd(NO 3 ) 3 -HNO 3 or Nd(ClO 3 ) 4 -HClO 4 up to 1.5 mol.L -1 at 298.15 K and pH 2.50. The data obtained in large range of concentrations, allow deriving the limiting value D°, the validity of the Onsager limiting law and a more extended law. This study contributes to demonstrate similarities in transport and structure properties between 4f and 5f trivalent ions explained by a similar electronic configuration, ionic radius and hydration number. (author)

  19. Spectroscopic and DFT Study of RhIII Chloro Complex Transformation in Alkaline Solutions.

    Science.gov (United States)

    Vasilchenko, Danila B; Berdyugin, Semen N; Korenev, Sergey V; O'Kennedy, Sean; Gerber, Wilhelmus J

    2017-09-05

    The hydrolysis of [RhCl 6 ] 3- in NaOH-water solutions was studied by spectrophotometric methods. The reaction proceeds via successive substitution of chloride with hydroxide to quantitatively form [Rh(OH) 6 ] 3- . Ligand substitution kinetics was studied in an aqueous 0.434-1.085 M NaOH matrix in the temperature range 5.5-15.3 °C. Transformation of [RhCl 6 ] 3- into [RhCl 5 (OH)] 3- was found to be the rate-determining step with activation parameters of ΔH † = 105 ± 4 kJ mol -1 and ΔS † = 59 ± 10 J K -1 mol -1 . The coordinated hydroxo ligand(s) induces rapid ligand substitution to form [Rh(OH) 6 ] 3- . By simulating ligand substitution as a dissociative mechanism, using density functional theory (DFT), we can now explain the relatively fast and slow kinetics of chloride substitution in basic and acidic matrices, respectively. Moreover, the DFT calculated activation energies corroborated experimental data that the kinetic stereochemical sequence of [RhCl 6 ] 3- hydrolysis in an acidic solution proceeds as [RhCl 6 ] 3- → [RhCl 5 (H 2 O)] 2- → cis-[RhCl 4 (H 2 O) 2 ] - . However, DFT calculations predict in a basic solution the trans route of substitution [RhCl 6 ] 3- → [RhCl 5 (OH)] 3- → trans-[RhCl 4 (OH) 2 ] 3- is kinetically favored.

  20. Stochastic dynamics modeling solute transport in porous media modeling solute transport in porous media

    CERN Document Server

    Kulasiri, Don

    2002-01-01

    Most of the natural and biological phenomena such as solute transport in porous media exhibit variability which can not be modeled by using deterministic approaches. There is evidence in natural phenomena to suggest that some of the observations can not be explained by using the models which give deterministic solutions. Stochastic processes have a rich repository of objects which can be used to express the randomness inherent in the system and the evolution of the system over time. The attractiveness of the stochastic differential equations (SDE) and stochastic partial differential equations (SPDE) come from the fact that we can integrate the variability of the system along with the scientific knowledge pertaining to the system. One of the aims of this book is to explaim some useufl concepts in stochastic dynamics so that the scientists and engineers with a background in undergraduate differential calculus could appreciate the applicability and appropriateness of these developments in mathematics. The ideas ...

  1. Reduction of RuVI≡N to RuIII-NH3 by Cysteine in Aqueous Solution.

    Science.gov (United States)

    Wang, Qian; Man, Wai-Lun; Lam, William W Y; Yiu, Shek-Man; Tse, Man-Kit; Lau, Tai-Chu

    2018-05-21

    The reduction of metal nitride to ammonia is a key step in biological and chemical nitrogen fixation. We report herein the facile reduction of a ruthenium(VI) nitrido complex [(L)Ru VI (N)(OH 2 )] + (1, L = N, N'-bis(salicylidene)- o-cyclohexyldiamine dianion) to [(L)Ru III (NH 3 )(OH 2 )] + by l-cysteine (Cys), an ubiquitous biological reductant, in aqueous solution. At pH 1.0-5.3, the reaction has the following stoichiometry: [(L)Ru VI (N)(OH 2 )] + + 3HSCH 2 CH(NH 3 )CO 2 → [(L)Ru III (NH 3 )(OH 2 )] + + 1.5(SCH 2 CH(NH 3 )CO 2 ) 2 . Kinetic studies show that at pH 1 the reaction consists of two phases, while at pH 5 there are three distinct phases. For all phases the rate law is rate = k 2 [1][Cys]. Studies on the effects of acidity indicate that both HSCH 2 CH(NH 3 + )CO 2 - and - SCH 2 CH(NH 3 + )CO 2 - are kinetically active species. At pH 1, the reaction is proposed to go through [(L)Ru IV (NHSCH 2 CHNH 3 CO 2 H)(OH 2 )] 2+ (2a), [(L)Ru III (NH 2 SCH 2 CHNH 3 CO 2 H)(OH 2 )] 2+ (3), and [(L)Ru IV (NH 2 )(OH 2 )] + (4) intermediates. On the other hand, at pH around 5, the proposed intermediates are [(L)Ru IV (NHSCH 2 CHNH 3 CO 2 )(OH 2 )] + (2b) and [(L)Ru IV (NH 2 )(OH 2 )] + (4). The intermediate ruthenium(IV) sulfilamido species, [(L)Ru IV (NHSCH 2 CHNH 3 CO 2 H)(OH 2 )] 2+ (2a) and the final ruthenium(III) ammine species, [(L)Ru III (NH 3 )(MeOH)] + (5) (where H 2 O was replaced by MeOH) have been isolated and characterized by various spectroscopic methods.

  2. Solvent extraction of lanthanide ions with 1-Phenyl-3-Methyl-4-Benzoyl-Pyrazolone-5 (HPMBP), 2. Extraction of Erbium(III), Ytterbium(III) and Lutetium(III) by HPMBP from aqueous-methanol solutions

    International Nuclear Information System (INIS)

    Czakis-Sulikowska, D.M.; Kuznik, B.; Malinowska, A.

    1990-01-01

    The solvent extraction of lanthanides(III)(Ln = Er, Yb, Lu) by 1-phenyl-3-methyl-4-benzoyl-pyrazolone-5 (HL) in carbon tetrachloride from aqueous-methanol phase was investigated. The equilibrium constants for the extraction from aqueous-50 % (ν/ν) methanol phase (K ex ), two-phase stability constants of the complexes LnL 3 (β 3 * ) and stability constants of complexes LnL 2+ , LnL 2 + , LnL 3 (β n )(Ln = Yb, Lu) were calculated. It was confirmed that the addition of methanol to the aqueous phase causes a synergistic effect. The influence of methanol on the dissociation constant of HPMBP (K a ) and the distribution constant of HPMBP (p HL ) between carbon tetrachloride and water-methanol solutions was investigated. (Authors)

  3. Co-precipitation of plutonium(IV) and americium(III) from nitric acid-oxalic acid solutions with bismuth oxalate

    International Nuclear Information System (INIS)

    Pius, I.C.; Noronha, D.M.; Chaudhury, Satyajeet

    2017-01-01

    Co-precipitation of plutonium and americium from nitric acid-oxalic acid solutions with bismuth oxalate has been investigated for the removal of these long lived α-active nuclides from waste solutions. Effect of concentration of bismuth and oxalic acid on the co-precipitation of Pu(IV) from 3 M HNO_3 has been investigated. Similar experiments were also carried out from 3.75 M HNO_3 on co-precipitation of Am(III) to optimize the conditions of precipitation. Strong co-precipitation of Pu(IV) and Am(III) with bismuth oxalate indicate feasibility of treatment of plutonium and americium bearing waste solutions. (author)

  4. Asymptotic behavior of the solution to the Cauchy problem for the Timoshenko system in thermoelasticity of type III

    KAUST Repository

    Rahali, Radouane

    2013-03-01

    In this paper, we investigate the decay property of a Timoshenko system in thermoelasticity of type III in the whole space where the heat conduction is given by the Green and Naghdi theory. Surprisingly, we show that the coupling of the Timoshenko system with the heat conduction of Green and Naghdi\\'s theory slows down the decay of the solution. In fact we show that the L-2-norm of the solution decays like (1 + t)(-1/8), while in the case of the coupling of the Timoshenko system with the Fourier or Cattaneo heat conduction, the decay rate is of the form (1 + t)(-1/4) [25]. We point out that the decay rate of (1 + t)(-1/8) has been obtained provided that the initial data are in L-1 (R) boolean AND H-s (R); (s >= 2). If the wave speeds of the fi rst two equations are di ff erent, then the decay rate of the solution is of regularity-loss type, that is in this case the previous decay rate can be obtained only under an additional regularity assumption on the initial data. In addition, by restricting the initial data to be in H-s (R) boolean AND L-1,L-gamma (R) with gamma is an element of [0; 1], we can derive faster decay estimates with the decay rate improvement by a factor of t(-gamma/4).

  5. Solution and solid-state electrochemiluminescence of a fac-tris(2-phenylpyridyl)iridium(III)-cored dendrimer

    International Nuclear Information System (INIS)

    Reid, Ellen F.; Burn, Paul L.; Lo, Shih-Chun; Hogan, Conor F.

    2013-01-01

    The solution phase and solid-state electrochemistry and electrochemiluminescence (ECL) of an iridium(III) complex-cored dendrimeric analogue of Ir(ppy) 3 , (G1pIr), are reported. The solid-state electrochemistry and solid-state ECL of Ir(ppy) 3 itself is also described for the first time. In solution phase, the dendrimer displays greater immunity to oxygen quenching in photoluminescence (PL) experiments and exhibits greater ECL efficiency compared to the parent Ir(ppy) 3 core under the same conditions, despite a lower photoluminescence quantum yield. It is proposed that the dendrons which effectively shield the core from PL quenching interactions in the solid-state counteract the effects of parasitic side-reactions during the solution ECL experiments. Electroactive and ECL-active solid-state films of both Ir(ppy) 3 and G1pIr were produced by drop-coating on boron doped diamond electrodes. Films of Ir(ppy) 3 produced stable co-reactant ECL. However, films of G1pIr produced lower than expected ECL intensity. This was attributed to poorer charge transport and the lipophilicity of the film limiting the rate of interaction with the co-reactant required for formation of the excited state

  6. Classical and Weak Solutions for Two Models in Mathematical Finance

    Science.gov (United States)

    Gyulov, Tihomir B.; Valkov, Radoslav L.

    2011-12-01

    We study two mathematical models, arising in financial mathematics. These models are one-dimensional analogues of the famous Black-Scholes equation on finite interval. The main difficulty is the degeneration at the both ends of the space interval. First, classical solutions are studied. Positivity and convexity properties of the solutions are discussed. Variational formulation in weighted Sobolev spaces is introduced and existence and uniqueness of the weak solution is proved. Maximum principle for weak solution is discussed.

  7. Rich dynamics of a food chain model with ratio-dependent type III ...

    African Journals Online (AJOL)

    Rich dynamics of a food chain model with ratio-dependent type III functional responses. ... Stability analysis of model is carried out by using usual theory of ordinary ... that Hopf bifurcation may also occur when delay passes its critical value.

  8. Nanostructured iron(III)-copper(II) binary oxide: a novel adsorbent for enhanced arsenic removal from aqueous solutions.

    Science.gov (United States)

    Zhang, Gaosheng; Ren, Zongming; Zhang, Xiwang; Chen, Jing

    2013-08-01

    To obtain a highly efficient and low-cost adsorbent for arsenic removal from water, a novel nanostructured Fe-Cu binary oxide was synthesized via a facile co-precipitation method. Various techniques including BET surface area measurement, powder XRD, SEM, and XPS were used to characterize the synthetic Fe-Cu binary oxide. It showed that the oxide was poorly crystalline, 2-line ferrihydrite-like and was aggregated with many nanosized particles. Laboratory experiments were performed to investigate adsorption kinetics, adsorption isotherms, pH adsorption edge and regeneration of spent adsorbent. The results indicated that the Fe-Cu binary oxide with a Cu: Fe molar ratio of 1:2 had excellent performance in removing both As(V) and As(III) from water, and the maximal adsorption capacities for As(V) and As(III) were 82.7 and 122.3 mg/g at pH 7.0, respectively. The values are favorable, compared to those reported in the literature using other adsorbents. The coexisting sulfate and carbonate had no significant effect on arsenic removal. However, the presence of phosphate obviously inhibited the arsenic removal, especially at high concentrations. Moreover, the Fe-Cu binary oxide could be readily regenerated using NaOH solution and be repeatedly used. The Fe-Cu binary oxide could be a promising adsorbent for both As(V) and As(III) removal because of its excellent performance, facile and low-cost synthesis process, and easy regeneration. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. Optimisation-Based Solution Methods for Set Partitioning Models

    DEFF Research Database (Denmark)

    Rasmussen, Matias Sevel

    The scheduling of crew, i.e. the construction of work schedules for crew members, is often not a trivial task, but a complex puzzle. The task is complicated by rules, restrictions, and preferences. Therefore, manual solutions as well as solutions from standard software packages are not always su......_cient with respect to solution quality and solution time. Enhancement of the overall solution quality as well as the solution time can be of vital importance to many organisations. The _elds of operations research and mathematical optimisation deal with mathematical modelling of di_cult scheduling problems (among...... other topics). The _elds also deal with the development of sophisticated solution methods for these mathematical models. This thesis describes the set partitioning model which has been widely used for modelling crew scheduling problems. Integer properties for the set partitioning model are shown...

  10. PHOTOIONIZATION MODELS FOR THE SEMI-FORBIDDEN C iii] 1909 EMISSION IN STAR-FORMING GALAXIES

    International Nuclear Information System (INIS)

    Jaskot, A. E.; Ravindranath, S.

    2016-01-01

    The increasing neutrality of the intergalactic medium at z  > 6 suppresses Ly α emission, and spectroscopic confirmation of galaxy redshifts requires the detection of alternative ultraviolet lines. The strong [C iii]  λ 1907+C iii]  λ 1909 doublet frequently observed in low-metallicity, actively star-forming galaxies is a promising emission feature. We present CLOUDY photoionization model predictions for C iii] equivalent widths (EWs) and line ratios as a function of starburst age, metallicity, and ionization parameter. Our models include a range of C/O abundances, dust content, and gas density. We also examine the effects of varying the nebular geometry and optical depth. Only the stellar models that incorporate binary interaction effects reproduce the highest observed C iii] EWs. The spectral energy distributions from the binary stellar population models also generate observable C iii] over a longer timescale relative to single-star models. We show that diagnostics using C iii] and nebular He ii  λ 1640 can separate star-forming regions from shock-ionized gas. We also find that density-bounded systems should exhibit weaker C iii] EWs at a given ionization parameter, and C iii] EWs could, therefore, select candidate Lyman continuum-leaking systems. In almost all models, C iii] is the next strongest line at <2700 Å after Ly α , and C iii] reaches detectable levels for a wide range of conditions at low metallicity. C iii] may therefore serve as an important diagnostic for characterizing galaxies at z  > 6.

  11. PHOTOIONIZATION MODELS FOR THE SEMI-FORBIDDEN C iii] 1909 EMISSION IN STAR-FORMING GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Jaskot, A. E. [Department of Astronomy, Smith College, Northampton, MA 01063 (United States); Ravindranath, S. [Space Telescope Science Institute, Baltimore, MD 21218 (United States)

    2016-12-20

    The increasing neutrality of the intergalactic medium at z  > 6 suppresses Ly α emission, and spectroscopic confirmation of galaxy redshifts requires the detection of alternative ultraviolet lines. The strong [C iii]  λ 1907+C iii]  λ 1909 doublet frequently observed in low-metallicity, actively star-forming galaxies is a promising emission feature. We present CLOUDY photoionization model predictions for C iii] equivalent widths (EWs) and line ratios as a function of starburst age, metallicity, and ionization parameter. Our models include a range of C/O abundances, dust content, and gas density. We also examine the effects of varying the nebular geometry and optical depth. Only the stellar models that incorporate binary interaction effects reproduce the highest observed C iii] EWs. The spectral energy distributions from the binary stellar population models also generate observable C iii] over a longer timescale relative to single-star models. We show that diagnostics using C iii] and nebular He ii  λ 1640 can separate star-forming regions from shock-ionized gas. We also find that density-bounded systems should exhibit weaker C iii] EWs at a given ionization parameter, and C iii] EWs could, therefore, select candidate Lyman continuum-leaking systems. In almost all models, C iii] is the next strongest line at <2700 Å after Ly α , and C iii] reaches detectable levels for a wide range of conditions at low metallicity. C iii] may therefore serve as an important diagnostic for characterizing galaxies at z  > 6.

  12. Kinetics and mechanism of the oxidation of uranium(III) by aqueous acidic solutions of iodine and bromine

    International Nuclear Information System (INIS)

    Adegite, A.; Egboh, H.; Ojo, J.F.; Olieh, R.

    1977-01-01

    The rates of oxidation of U 3+ by I 2 and Br 2 in aqueous acidic solutions have been investigated. The rate equations for iodine and bromine are shown, together with the corresponding activation parameters. An excellent correlation has been obtained between the rates of uranium(III) reduction of some oxidants, including iodine and bromine, and the free energies of these reactions. Since these other non-halogen reactions go via the outer-sphere mechanism, it is concluded that at least the first step in the two-step oxidation of U 3+ by Br 2 , I 2 , or [I 3 ] - is outer sphere. The homonuclear exchange rate constant ksub(ex) for U 3+ + U 4+ is deduced to be 1.66 +- 0.16 dm 3 mol -1 s -1 . (author)

  13. Method for determining microamounts of uranium in solutions from copper ores, by liquid-liquid extraction and spectrophotometry with arsenazo III

    International Nuclear Information System (INIS)

    Rodriguez, B.

    1972-01-01

    A spectrophotometric method is described for determining small amounts of uranium in aqueous solutions from copper ores. Uranium is quantitatively separated in a single extraction by a solution of tri-n-octylphosphine oxide in benzene, using ethylendiaminetetracetic acid and sodium fluoride as complexing agents, for improving the selectivity of the procedure. An aliquot of the extract is diluted with a hydrocolloidal solution of arsenazo III. Optical density is measured at 650 nm. (Author) 3 refs

  14. Theoretical modelling of actinide spectra in solution

    International Nuclear Information System (INIS)

    Danilo, Cecile

    2009-01-01

    The framework of this PhD is the interpretation of Nuclear Magnetic Relaxation Dispersion experiments performed on solvated U"4"+, NpO_2"+ and PuO_2"2"+, which all have a f"2 configuration. Unexpectedly the two actinyl ions have a much higher relaxivity than U"4"+,. One possible explanation is that the electronic relaxation rate is faster for Uranium(IV) than for the actinyl ions. We address this problem by exploring the electronic spectrum of the three compounds in gas phase and in solution with a two-step SOCI (Spin-Orbit Configuration-Interaction) method. The influence of electron correlation (treated in the first step) and spin-orbit relaxation effects (considered in the second step) has been discussed thoroughly. Solvent effects have been investigated as well. Another issue that has been questioned is the accuracy of Density Functional Theory for the study of actinide species. This matter has been discussed by comparing its performance to wave-function based correlated methods. The chemical problem chosen was the water exchange in [UO_2"2"+ (H_2O)_5]. We looked at the associative and at the dissociative mechanisms using a model with one additional water in the second hydration sphere. The last part of the thesis dealt with the spectroscopy of coordinated Uranyl(V). Absorption spectrum of Uranyl(V) with various ligands has been recorded. The first sharp absorption bands in the Near-Infrared region were assigned to the Uranium centered 5f-5f transitions, but uncertainties remained for the assignment of transitions observed in the Visible region. We computed the spectra of naked UO_2"+ and [UO_2(CO_3)_3]"5"- to elucidate the spectral changes induced by the carbonate ligands. (author) [fr

  15. A physically-based constitutive model for SA508-III steel: Modeling and experimental verification

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Dingqian [National Die & Mold CAD Engineering Research Center, Shanghai Jiao Tong University, 1954 Huashan Rd., Shanghai 200030 (China); Chen, Fei, E-mail: feechn@gmail.com [National Die & Mold CAD Engineering Research Center, Shanghai Jiao Tong University, 1954 Huashan Rd., Shanghai 200030 (China); Department of Mechanical, Materials and Manufacturing Engineering, University of Nottingham, Nottingham NG7 2RD (United Kingdom); Cui, Zhenshan, E-mail: cuizs@sjtu.edu.cn [National Die & Mold CAD Engineering Research Center, Shanghai Jiao Tong University, 1954 Huashan Rd., Shanghai 200030 (China)

    2015-05-14

    Due to its good toughness and high weldability, SA508-III steel has been widely used in the components manufacturing of reactor pressure vessels (RPV) and steam generators (SG). In this study, the hot deformation behaviors of SA508-III steel are investigated by isothermal hot compression tests with forming temperature of (950–1250)°C and strain rate of (0.001–0.1)s{sup −1}, and the corresponding flow stress curves are obtained. According to the experimental results, quantitative analysis of work hardening and dynamic softening behaviors is presented. The critical stress and critical strain for initiation of dynamic recrystallization are calculated by setting the second derivative of the third order polynomial. Based on the classical stress–dislocation relation and the kinetics of dynamic recrystallization, a two-stage constitutive model is developed to predict the flow stress of SA508-III steel. Comparisons between the predicted and measured flow stress indicate that the established physically-based constitutive model can accurately characterize the hot deformations for the steel. Furthermore, a successful numerical simulation of the industrial upsetting process is carried out by implementing the developed constitutive model into a commercial software, which evidences that the physically-based constitutive model is practical and promising to promote industrial forging process for nuclear components.

  16. A physically-based constitutive model for SA508-III steel: Modeling and experimental verification

    International Nuclear Information System (INIS)

    Dong, Dingqian; Chen, Fei; Cui, Zhenshan

    2015-01-01

    Due to its good toughness and high weldability, SA508-III steel has been widely used in the components manufacturing of reactor pressure vessels (RPV) and steam generators (SG). In this study, the hot deformation behaviors of SA508-III steel are investigated by isothermal hot compression tests with forming temperature of (950–1250)°C and strain rate of (0.001–0.1)s −1 , and the corresponding flow stress curves are obtained. According to the experimental results, quantitative analysis of work hardening and dynamic softening behaviors is presented. The critical stress and critical strain for initiation of dynamic recrystallization are calculated by setting the second derivative of the third order polynomial. Based on the classical stress–dislocation relation and the kinetics of dynamic recrystallization, a two-stage constitutive model is developed to predict the flow stress of SA508-III steel. Comparisons between the predicted and measured flow stress indicate that the established physically-based constitutive model can accurately characterize the hot deformations for the steel. Furthermore, a successful numerical simulation of the industrial upsetting process is carried out by implementing the developed constitutive model into a commercial software, which evidences that the physically-based constitutive model is practical and promising to promote industrial forging process for nuclear components

  17. Wind waves modelling on the water body with coupled WRF and WAVEWATCH III models

    Science.gov (United States)

    Kuznetsova, Alexandra; Troitskaya, Yuliya; Kandaurov, Alexander; Baydakov, Georgy; Vdovin, Maxim; Papko, Vladislav; Sergeev, Daniil

    2015-04-01

    Simulation of ocean and sea waves is an accepted instrument for the improvement of the weather forecasts. Wave modelling, coupled models modelling is applied to open seas [1] and is less developed for moderate and small inland water reservoirs and lakes, though being of considerable interest for inland navigation. Our goal is to tune the WAVEWATCH III model to the conditions of the inland reservoir and to carry out the simulations of surface wind waves with coupled WRF (Weather Research and Forecasting) and WAVEWATCH III models. Gorky Reservoir, an artificial lake in the central part of the Volga River formed by a hydroelectric dam, was considered as an example of inland reservoir. Comparing to [2] where moderate constant winds (u10 is up to 9 m/s) of different directions blowing steadily all over the surface of the reservoir were considered, here we apply atmospheric model WRF to get wind input to WAVEWATCH III. WRF computations were held on the Yellowstone supercomputer for 4 nested domains with minimum scale of 1 km. WAVEWATCH III model was tuned for the conditions of the Gorky Reservoir. Satellite topographic data on altitudes ranged from 56,6° N to 57,5° N and from 42.9° E to 43.5° E with increments 0,00833 ° in both directions was used. 31 frequencies ranged from 0,2 Hz to 4 Hz and 30 directions were considered. The minimal significant wave height was changed to the lower one. The waves in the model were developing from some initial seeding spectral distribution (Gaussian in frequency and space, cosine in direction). The range of the observed significant wave height in the numerical experiment was from less than 1 cm up to 30 cm. The field experiments were carried out in the south part of the Gorky reservoir from the boat [2, 3]. 1-D spectra of the field experiment were compared with those obtained in the numerical experiments with different parameterizations of flux provided in WAVEWATCH III both with constant wind input and WRF wind input. For all the

  18. Monitoring of praseodymium(III) ions in aqueous solutions, soil and sediment samples by a PVC membrane sensor based on a furan-triazole derivative

    Energy Technology Data Exchange (ETDEWEB)

    Pourjavid, Mohammad Reza [Islamic Azad University, Tehran (Iran, Islamic Republic of). Dept. of Medicinal Chemistry. Nuclear Science and Technology Research Institute; Rezaee, Mohammad; Hosseini, Majid Haji [Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Razavi, Taherehsadat, E-mail: pourjavid@gmail.com [Research Institute of Petroleum Industry, Tehran (Iran, Islamic Republic of). Instrumental Analysis Dept.

    2012-07-01

    A furan-triazole derivative has been explored as an ionophore for preparation of a highly selective Pr(III) membrane sensor. The proposed sensor exhibits a Nernstian response for Pr(III) activity over a wide concentration range with a detection limit of 5.2 x 10{sup -8}M. Its response is independent of pH of the solution in the range 3.0-8.8 and offers the advantages of fast response time. To investigate the analytical applicability of the sensor, it was applied successfully as an indicator electrode in potentiometric titration of Pr(III) solution and also in the direct and indirect determination of trace Pr(III) ions in some samples. (author)

  19. Periodic solutions of nonautonomous differential systems modeling obesity population

    Energy Technology Data Exchange (ETDEWEB)

    Arenas, Abraham J. [Departamento de Matematicas y Estadistica, Universidad de Cordoba Monteria (Colombia)], E-mail: aarenas@sinu.unicordoba.edu.co; Gonzalez-Parra, Gilberto [Departamento de Calculo, Universidad de los Andes, Merida (Venezuela, Bolivarian Republic of)], E-mail: gcarlos@ula.ve; Jodar, Lucas [Instituto de Matematica Multidisciplinar, Universidad Politecnica de Valencia Edificio 8G, 2o, 46022 Valencia (Spain)], E-mail: ljodar@imm.upv.es

    2009-10-30

    In this paper we study the periodic behaviour of the solutions of a nonautonomous model for obesity population. The mathematical model represented by a nonautonomous system of nonlinear ordinary differential equations is used to model the dynamics of obese populations. Numerical simulations suggest periodic behaviour of subpopulations solutions. Sufficient conditions which guarantee the existence of a periodic positive solution are obtained using a continuation theorem based on coincidence degree theory.

  20. Periodic solutions of nonautonomous differential systems modeling obesity population

    International Nuclear Information System (INIS)

    Arenas, Abraham J.; Gonzalez-Parra, Gilberto; Jodar, Lucas

    2009-01-01

    In this paper we study the periodic behaviour of the solutions of a nonautonomous model for obesity population. The mathematical model represented by a nonautonomous system of nonlinear ordinary differential equations is used to model the dynamics of obese populations. Numerical simulations suggest periodic behaviour of subpopulations solutions. Sufficient conditions which guarantee the existence of a periodic positive solution are obtained using a continuation theorem based on coincidence degree theory.

  1. General classical solutions in the noncommutative CPN-1 model

    International Nuclear Information System (INIS)

    Foda, O.; Jack, I.; Jones, D.R.T.

    2002-01-01

    We give an explicit construction of general classical solutions for the noncommutative CP N-1 model in two dimensions, showing that they correspond to integer values for the action and topological charge. We also give explicit solutions for the Dirac equation in the background of these general solutions and show that the index theorem is satisfied

  2. Demonstrations in Solute Transport Using Dyes: Part II. Modeling.

    Science.gov (United States)

    Butters, Greg; Bandaranayake, Wije

    1993-01-01

    A solution of the convection-dispersion equation is used to describe the solute breakthrough curves generated in the demonstrations in the companion paper. Estimation of the best fit model parameters (solute velocity, dispersion, and retardation) is illustrated using the method of moments for an example data set. (Author/MDH)

  3. Sb{sup III} - Sb{sup V} Exchange Reaction in Hydrochloric: Acid Solutions; Echange Sb{sup III}-Sb{sup V} dans des Solutions d'Acide Chlorhydrique; Reaktsiya obmena Sb(III) - Sb(V) v rastvorakh khloristovodorodnoj kisloty; Intercambio Sb{sup III}-Sb{sup V} en Soluciones de HCl

    Energy Technology Data Exchange (ETDEWEB)

    Kambara, T.; Yamaguchi, K.; Yasuba, S. [Shizuoka University, Shizuoka City (Japan)

    1965-10-15

    The exchange reaction of Sb{sup III} - Sb{sup V} in solutions of low HCl concentrations was studied using {sup 124}Sb as a tracer. The effects of HCl concentrations and chemical forms of antimony on the exchange rate were investigated. The HCl concentrations of the antimony solutions ((Sb{sup III}) =(Sb{sup V}) = 6.8 x 10{sup -4}M) were changed from 0.8 to 4.0M and the half-time for the exchange was measured by plotting log (1 - F) versus time t to calculate the exchange rate assuming the second-ordet reaction. It was found that the exchange rate was sharply increased with the increase of HCl concentrations (at 25 Degree-Sign C, from 0.8 to 2.0M) and at 2.0M HCl concentration the rate reached the maximum, from which the rate was decreased with the increase of HCl concentrations (at 25 Degree-Sign C, from 2.0 to 4.0M). Two sorts of Sb{sup V} species were used for our investigations, i.e. one was used directly after the dilution of 10M HCl Sb{sup V} solution with water and the other was used after 24 hours standing at room temperature from the dilution. (The Sb{sup III} species were also kept standing after preparation from 10M HCl Sb{sup III} solution.) In both cases the maximum rates were found to exist at 2.0M HCl concentration. The rate R{sub 1} for the former (directly after dilution) was 4.5 x 10{sup -6} mole litre{sup -1} min{sup -1} and the rate R{sub 2} for the latter (24 hours standing) was 1.2 x 10{sup -}{sub 6} mole litre. Also the activation energy for these cases was found to be 12.2 kcal/mole and 19.1 kcal/mole. By spectrophotometric studies, the Sb{sup V} species of the former type were found to be mainly consisting of SbCl{sup -}{sub 6} and the species of the latter type to be of SbCl{sub 4}(OH){sup -}{sub 2}, etc. Besides these facts the form of Sb{sup III} species was found to have no influence on the exchange rate. A much sharper increase of the exchange rate was observed when the HCl concentration of the antimony solution was fixed at 0.8M and

  4. Evaluation of conductive polymers as an adsorbent for eradication of As (III from aqueous solution using inductively coupled plasma optical emission spectroscopy (ICP-OES

    Directory of Open Access Journals (Sweden)

    Muhammad Imran Din

    2014-04-01

    Full Text Available 1024x768 The main focused of this research work is the preparation of conductive polymers like polypyrrole, polyaniline and polythiophene and their application as adsorbent materials for the removal of hyper toxic metal As (III from aqueous solution. The metal ions get attached on the π-electrons at the back bone of polymer that illustrate excellent affinity for metal ions. The adsorption of As (II ions was carried out on polythiophene due to its redox properties and the stronger interaction between sulfur atoms with arsenic atoms. To attain large surface area and for maximum interaction of As (III ions with polymers, the particle size of polymers was ranged in nano scale. As the surface area increases with decrease in particle size, the active sites for metal ions also increases. These polymers were characterized by FIIR spectroscopy and SEM analysis. Adsorption isothermal data was examined by two parameters (Langmuir, Freundlich, and Dubinin-Radushkevich and three parameters Redlich-Petrson, Sips and Toth models. Experimental results showed that based on standard deviation (SD and Chi square test (χ2 the experimental data was best explained by Freundlich and Toth isotherm. Thermodynamics parameters such as free energy change (ΔG0, enthalpy change (ΔH0 and entropy change (ΔS0 have been calculated respectively, which revealed the spontaneous, endothermic and feasible nature of adsorption process.   Normal 0 false false false EN-US X-NONE X-NONE

  5. Multi-cut solutions in Chern-Simons matrix models

    Science.gov (United States)

    Morita, Takeshi; Sugiyama, Kento

    2018-04-01

    We elaborate the Chern-Simons (CS) matrix models at large N. The saddle point equations of these matrix models have a curious structure which cannot be seen in the ordinary one matrix models. Thanks to this structure, an infinite number of multi-cut solutions exist in the CS matrix models. Particularly we exactly derive the two-cut solutions at finite 't Hooft coupling in the pure CS matrix model. In the ABJM matrix model, we argue that some of multi-cut solutions might be interpreted as a condensation of the D2-brane instantons.

  6. Classical solutions for the 4-dimensional σ-nonlinear model

    International Nuclear Information System (INIS)

    Tataru-Mihai, P.

    1979-01-01

    By interpreting the σ-nonlinear model as describing the Gauss map associated to a certain immersion, several classes of classical solutions for the 4-dimensional model are derived. As by-products one points out i) an intimate connection between the energy-momentum tensor of the solution and the second differential form of the immersion associated to it and ii) a connection between self- (antiself-)duality of the solution and the minimality of the associated immersion. (author)

  7. A Generalized Deduction of the Ideal-Solution Model

    Science.gov (United States)

    Leo, Teresa J.; Perez-del-Notario, Pedro; Raso, Miguel A.

    2006-01-01

    A new general procedure for deriving the Gibbs energy of mixing is developed through general thermodynamic considerations, and the ideal-solution model is obtained as a special particular case of the general one. The deduction of the Gibbs energy of mixing for the ideal-solution model is a rational one and viewed suitable for advanced students who…

  8. PLN's experience with the WASP-III model in generation expansion planning for the Java system

    International Nuclear Information System (INIS)

    Sudja, N.; Afiff, A.; Simarmata, B.

    1988-01-01

    The State Electric Power Corporation of Indonesia (PLN) was one of the first recipients of the WASP computer model, and since 1976 has been using the model (first the version WASP-II, and later the WASP-III version) for carrying out generation expansion planning studies for the country, and particularly, for the Java power system. This paper discusses PLN's experience with WASP-III and comments on some problems and constraints encountered, particularly: the time-fixed forced outage rate (FOR) assumed for generating units, simulation of the hydro system and computation time. The paper concludes with some suggestions about future enhancements to WASP-III. (author). 3 figs, 11 tabs

  9. Highly luminescent pure-red-emitting fluorinated β-diketonate europium(III) complex for full solution-processed OLEDs

    Energy Technology Data Exchange (ETDEWEB)

    Martins, Joao P. [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Serviço de Medicina Nuclear, SESARAM E.P.E., Avenida Luís de Camões 57, Funchal 9004-514, Madeira (Portugal); Martín-Ramos, Pablo [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Higher Technical School of Telecommunications Engineering, Universidad de Valladolid, Campus Miguel Delibes, Paseo Belén 15, Valladolid 47011 (Spain); Coya, Carmen, E-mail: carmen.coya@urjc.es [Escuela Superior de Ciencias Experimentales y Tecnología (ESCET), Universidad Rey Juan Carlos, Madrid 28933 (Spain); Silva, Manuela Ramos [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Eusebio, M. Ermelinda S. [Chemistry Department, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra P-3004-535 (Portugal); Andrés, Alicia de [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas (CSIC), Cantoblanco, Madrid 28049 (Spain); Álvarez, Ángel L. [Escuela Superior de Ciencias Experimentales y Tecnología (ESCET), Universidad Rey Juan Carlos, Madrid 28933 (Spain); Martín-Gil, Jesús [Advanced Materials Laboratory, ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, Palencia 34004 (Spain)

    2015-03-15

    Current manufacturing technologies for OLEDs involve the use of expensive high vacuum techniques and call for thermal stability requirements which are not fulfilled by many materials. These problems disappear when the OLED films are deposited directly from solution. In this study, we have designed, synthesized and characterized a novel octacoordinated complex, Tris(1-(4-chlorophenyl)-4,4,4-trifluoro-1, 3-butanedionate)mono(bathophenanthroline) europium(III), to be used as a “complex-only” emissive layer in wet-processed OLEDs. Upon excitation in the UV region, very efficient energy transfer from the ligands to Eu{sup 3+} takes place, giving rise to intense red emission with very high monochromaticity (R=19), both in powder and as a thin film. The decay times of 754 µs (powder) and 620 µs (thin film) are comparable to those of the most efficient Eu{sup 3+} β-diketonate complexes reported to date. The same energy transfer leading to saturated red and narrow emission is also observed in the OLED device (glass/ITO/PEDOT:PSS/[Eu(cbtfa){sub 3}(bath)]/Ca/Al) when biased at >5.2 V. Its high quantum efficiency (∼60%), good thermal stability up to 200 °C and adequate thin film forming properties make this material a promising chromophore for cost-effective OLEDs. - Highlights: • A highly fluorinated europium(III) octacoordinated complex, [Eu(cbtfa)3(bath)], has been synthesized and its structure elucidated by single crystal X-ray diffraction. • The chosen coordination environment is well-suited for sensitizing the luminescence of the Eu{sup 3+} ion, achieving very efficient energy transfer from the organic ligands (excited in the UV region) to the rare earth ion, leading to highly efficient (Q∼60% in crystalline powder and Q∼50% in thin film) and saturated red photoluminescence. • The material has also been integrated into a single active layer, full solution-processed OLED, with ITO/PEDOT:PSS/[Eu(cbtfa)3(bath)]/ Ca/Al structure.

  10. Revision of the high energy hadronic interaction models PHOJET/DPMJET-III

    CERN Document Server

    Fedynitch, A

    2015-01-01

    The high-energy hadronic interaction model DPMJET-III is responsible for simulating nuclear interactions in the particle simulation package FLUKA. On the level of individual nucleon interactions it employs PHOJET, which provides sophisticated forward physics and diffraction models. This paper summarizes some of the recent developments, in particular regarding minimum-bias physics at the LHC, which apply to DPMJET-III and PHOJET at the same time.

  11. Measurement and modelling of liquidity risk under the Basel III rules

    OpenAIRE

    Turkuner, Ercan

    2016-01-01

    In compliance with Basel III rules this study aims to create a model capable of generating a balance sheet. In the light of several hypotheses and general data about Turkish Banking System the model generates a balance sheet and, hence Basel III liquidity ratios could be set their threshold values. Besides, with the sensitivity analysis possible impacts of balance sheet structure on the Liquidity Coverage Ratio which promotes the short-term resilience of the liquidity risk profiles of banks h...

  12. Extraction of gold(III) from hydrochloric acid solutions by CTAB/n-heptane/iso-amyl alcohol/Na{sub 2}SO{sub 3} microemulsion

    Energy Technology Data Exchange (ETDEWEB)

    Lu Wenjuan; Lu Yanmin; Liu Fei; Shang Kai; Wang Wei [Key Laboratory for Special Functional Aggregated Materials of Education Ministry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China); Yang Yanzhao, E-mail: yzhyang@sdu.edu.cn [Key Laboratory for Special Functional Aggregated Materials of Education Ministry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China)

    2011-02-28

    The extraction of Au(III) from hydrochloric acid solutions by microemulsion was studied. The extraction experiments were carried out using cetyltrimethylammonium bromide (CTAB) as surfactant and iso-amyl alcohol as co-surfactant. Au(III) was found to be extracted into the microemulsion phase due to ion pair formation such as AuCl{sub 4}{sup -}CTAB{sup +}. The influence of temperature on the extraction of Au(III) has been investigated at temperatures ranging from 288 to 313 K. Temperature was found to decrease the distribution of Au(III). Thermodynamic parameters like enthalpy and entropy of the extraction, calculated by applying Van't Hoff equation, were -36.76 kJ mol{sup -1} and -84.87 J mol{sup -1} K{sup -1}, respectively. Furthermore, the influence of the concentrations of hydrogen ion and chloride anion on the extraction efficiency (E%) were verified. Au(III) was extracted quantitatively (E% > 99%) and selectively at the whole range of HCl concentrations (0.2-5 M). Recovery of gold from electrical waste and treatment of CTAB wastewater generated from the extraction were also discussed. Thus, the extraction of Au(III) from hydrochloric acid solutions by microemulsion is an effective approach.

  13. Modeling ecological and economic systems with STELLA : Part III

    NARCIS (Netherlands)

    Costanza, Robert; Voinov, Alexey

    2001-01-01

    This special issue contains a group of eight modeling studies covering a range of ecological and economic systems and problems. The models were all developed using Stella®, an icon-based software package specifically designed for dynamic systems modeling. Models included in the special issue were

  14. Spectroscopic investigations on the complexation of Cm(III) and Eu(III) with organic model ligands and their binding mode in human urine (in vitro)

    International Nuclear Information System (INIS)

    Heller, Anne

    2011-01-01

    In case of incorporation, trivalent actinides (An(III)) and lanthanides (Ln(III)) pose a serious health risk to humans. An(III) are artificial, highly radioactive elements which are mainly produced during the nuclear fuel cycle in nuclear power plants. Via hazardous accidents or nonprofessional storage of radioactive waste, they can be released in the environment and enter the human food chain. In contrast, Ln(III) are nonradioactive, naturally occurring elements with multiple applications in technique and medicine. Consequently it is possible that humans get in contact and incorporate both, An(III) and Ln(III). Therefore, it is of particular importance to elucidate the behaviour of these elements in the human body. While macroscopic processes such as distribution, accumulation and excretion are studied quite well, knowledge about the chemical binding form (speciation) of An(III) and Ln(III) in various body fluids is still sparse. In the present work, for the first time, the speciation of Cm(III) and Eu(III) in natural human urine (in vitro) has been investigated spectroscopically and the formed complex identified. For this purpose, also basic investigations on the complex formation of Cm(III) and Eu(III) in synthetic model urine as well as with the urinary relevant, organic model ligands urea, alanine, phenylalanine, threonine and citrate have been performed and the previously unknown complex stability constants determined. Finally, all experimental results were compared to literature data and predictions calculated by thermodynamic modelling. Since both, Cm(III) and Eu(III), exhibit unique luminescence properties, particularly the suitability of time-resolved laser-induced fluorescence spectroscopy (TRLFS) could be demonstrated as a method to investigate these metal ions in untreated, complex biofluids. The results of this work provide new scientific findings on the biochemical reactions of An(III) and Ln(III) in human body fluids on a molecular scale and

  15. Preliminary study on the photoproduction of hydroxyl radicals in aqueous solution with Aldrich humic acid, algae and Fe(III) under high-pressure mercury lamp irradiation.

    Science.gov (United States)

    Liu, Xianli; Xu, Dong; Wu, Feng; Liao, Zhenhuan; Liu, Jiantong; Deng, Nansheng

    2004-03-01

    Under a high-pressure mercury lamp (HPML) and using an exposure time of 4 h, the photoproduction of hydroxyl radicals (*OH) could be induced in an aqueous solution containing humic acid (HA). Hydroxyl radicals were determined by high-performance liquid chromatography using benzene as a probe. The results showed that *OH photoproduction increased from 1.80 to 2.74 microM by increasing the HA concentration from 10 to 40 mg L(-1) at an exposure time of 4 h (pH 6.5). Hydroxyl radical photoproduction in aqueous solutions of HA containing algae was greater than that in the aqueous solutions of HA without algae. The photoproduction of *OH in the HA solution with Fe(III) was greater than that of the solution without Fe(III) at pH ranging from 4.0 to 8.0. The photoproduction of *OH in HA solution with algae with or without Fe(III) under a 250 W HPML was greater than that under a 125 W HPML. The photoproduction of *OH in irradiated samples was influenced by the pH. The results showed that HPML exposure for 4 h in the 4-8 pH range led to the highest *OH photoproduction at pH 4.0.

  16. Effect of temperature on the extraction of europium (III) bymixtures of neutral phosphoro-organic extractants from nitrate solutions

    International Nuclear Information System (INIS)

    Milchlin, E.B.; Khmuran, M.A.; Mikhailichenko, A.I.

    1986-01-01

    A study has been made of the distribution of microquantities of europium (III) on extraction with neutral phosphoorganic compounds-tri-n-butyl phosphate (TBP), diisooctylmethyl phosphonate (DIOMP),trialkylphosphine oxide with dissimilar radicals (PODR), or mixtures thereof-from a solution of 2 mole/liter NH 4 NO 3 and 0.01 mole/liter HNO 3 , in the temperature range 20-60 0 C. A temperature rise results in a decrease of the distribution coefficients of the europium on extraction by all of the extractants tested and their mixtures, and also in a reduction of the synergistic effect in extraction by mixtures of the extractants. Based on an investigation of the temperature dependences of the distribution constants of europium nitrate upon extraction by TBP, DIOMP, PODR, or their mixtures, values have been determined for the enthalpy, free energy, and entropy of extraction. It is shown that the enthalpy (-ΔH) increases in the order TBP< DIOMP< PODR. In an extraction with mixed extractants, the enthalpy has a value intermediate between those with the individual extractants. The entropy of extraction (-ΔS) increases in the reverse order PODR< DIOMP< TBP

  17. Graphene oxide-Fe2O3 hybrid nanoparticles: a highly efficient sorbent for Am (III) from aqueous solutions

    International Nuclear Information System (INIS)

    Patre, D.K.; Gujar, R.B.; Mohapatra, P.K.; Gadly, T.; Ghosh, S.K.

    2016-01-01

    Recently, carbon nano materials such as carbon nano tubes and graphene oxide (GO) have been widely studied for the treatment of radioactive waste water. GO can be obtained after oxidization of graphene, and there are many oxygen containing surface functional groups such as epoxy (C-O-C), hydroxyl (OH) and carboxyl (COOH) groups on GO surfaces. As a result, GO showed high adsorption capacity for the removal of different kinds of metal ions and organic contaminants in practical applications. In addition to this, the existences of oxygen-containing functional groups make GO participate in various modifications, and thus lots of GO-based multifunctional materials have been prepared and used for the removal of environmental contaminants. The introduction of magnetic materials into GO can combine the high adsorption properties of GO and the separation convenience of magnetic materials. GO-based magnetic materials have caught more attentions in adsorption study due to their unique magnetic and structural characteristics. In this paper, the magnetic GO nanoparticles were used for the sorption of Am(III) from acidic feed solutions in the pH range of 1-6

  18. Manganese-incorporated iron(III) oxide–graphene magnetic nanocomposite: synthesis, characterization, and application for the arsenic(III)-sorption from aqueous solution

    International Nuclear Information System (INIS)

    Nandi, Debabrata; Gupta, Kaushik; Ghosh, Arup Kumar; De, Amitabha; Banerjee, Sangam; Ghosh, Uday Chand

    2012-01-01

    High specific surface area of graphene (GR) has gained special scientific attention in developing magnetic GR nanocomposite aiming to apply for the remediation of diverse environmental problems like point-of-use water purification and simultaneous separation of contaminants applying low external magnetic field ( x 2+ Fe 2−x 3+ O 4 2− ) (IMBO)–GR nanocomposite is reported by exfoliating the GR layers. Latest microscopic, spectroscopic, powder X-ray diffraction, BET surface area, and superconducting quantum interference device characterizations showed that the material is a magnetic nanocomposite with high specific surface area (280 m 2 g −1 ) and pore volume (0.3362 cm 3 g −1 ). Use of this composite for the immobilization of carcinogenic As(III) from water at 300 K and pH ∼7.0 showed that the nanocomposite has higher binding efficiency with As(III) than the IMBO owing to its high specific surface area. The composite showed almost complete (>99.9 %) As(III) removal (≤10 μg L −1 ) from water. External magnetic field of 0.3 T efficiently separated the water dispersed composite (0.01 g/10 mL) at room temperature (300 K). Thus, this composite is a promising material which can be used effectively as a potent As(III) immobilizer from the contaminated groundwater (>10 μg L −1 ) to improve drinking water quality.

  19. Study of the selectivity of poly-nitrogenous extracting molecules in the complexation of actinides (III) and lanthanides (III) in solution in anhydrous pyridine

    International Nuclear Information System (INIS)

    Riviere, Ch.

    2000-01-01

    The aim of this work is to better understand the factors which contribute to the separation of lanthanides(III) and actinides(III). Polydentate nitrogenous molecules present an interesting selectivity. A thermodynamic study of the complexation in pyridine of lanthanide and uranium by the bipyridine ligand (bipy) has been carried out. The formation constants and the thermodynamic values of the different complexes have been determined. It has been shown that the bipy complexes formation is controlled by the enthalpy and unfavored by the entropy. The conductometry has revealed too a significant difference in the uranium and lanthanides complexation by the bipyridine ligand. The use of the phenanthroline ligand induces a better complexation of the metallic ions but the selectivity is not improved. On the other hand, the decrease of the basicity and the increase of the ligand denticity (for instance in the case of the use of ter-pyridine) favour the selectivity without improving the complexation. The selectivity difference for the complexation of actinides(III) and lanthanides(III) by the different studied ligands (independent systems) has been confirmed by experiments of inter-metals competition. (O.M.)

  20. Determination of Proton Relaxivities of Mn(II, Cu(II and Cr(III added to Solutions of Serum Proteins

    Directory of Open Access Journals (Sweden)

    Ali Yilmaz

    2009-04-01

    Full Text Available Relaxometric studies are still of scientific interest due to their use in medicine and biology. In this study, proton T1 and T2 relaxivities of Mn(II, Cu(II and Cr(III in water were determined in the presence and absence of various proteins (albumin, α-globulin, γ-globulin, lysozyme, fibrinogen. The 1/T1 and 1/T2 in all solutions are linearly proportional to the concentration of the paramagnetic ions. Mn(II has the great influence to alter relaxations in all protein solutions, while Cu(II and Cr(III have a poor influence on the relaxations. In addition, Mn(II and Cu(II are bound to each protein, but Cr(III is not bound to any protein.

  1. Extraction of lanthanides ions (III) from aqueous solution by sodium salt of the N(4-amino-benzoate)-propyl-silica gel

    International Nuclear Information System (INIS)

    Retamero, R.C.

    1991-01-01

    The silica gel 60 of specific superficial area 486 m 2 .g -1 was modified chemically with the ligand 4-amino benzoate of sodium in water-ethanol environment (l:L). The adsorptions of metallic ions were from water solutions at approximately 2 x 10 -3 M of chloride of Pr(III), Nd(III), Eu(III) and Ho(III). In these experiments we could see that the system gets the equilibrium of adsorption rapidly and that the pH of the environment has a great influence on the process of adsorption, being that the number of metal mols adsorpted in the matrix varied between 10,00 and 17,00 x 10 -5 mols. g -1 with a pH of approximately 5 for all the lanthanides, where the adsorption curves reach equilibrium. (author)

  2. A quasilinear model for solute transport under unsaturated flow

    International Nuclear Information System (INIS)

    Houseworth, J.E.; Leem, J.

    2009-01-01

    We developed an analytical solution for solute transport under steady-state, two-dimensional, unsaturated flow and transport conditions for the investigation of high-level radioactive waste disposal. The two-dimensional, unsaturated flow problem is treated using the quasilinear flow method for a system with homogeneous material properties. Dispersion is modeled as isotropic and is proportional to the effective hydraulic conductivity. This leads to a quasilinear form for the transport problem in terms of a scalar potential that is analogous to the Kirchhoff potential for quasilinear flow. The solutions for both flow and transport scalar potentials take the form of Fourier series. The particular solution given here is for two sources of flow, with one source containing a dissolved solute. The solution method may easily be extended, however, for any combination of flow and solute sources under steady-state conditions. The analytical results for multidimensional solute transport problems, which previously could only be solved numerically, also offer an additional way to benchmark numerical solutions. An analytical solution for two-dimensional, steady-state solute transport under unsaturated flow conditions is presented. A specific case with two sources is solved but may be generalized to any combination of sources. The analytical results complement numerical solutions, which were previously required to solve this class of problems.

  3. The WITCH Model. Structure, Baseline, Solutions.

    Energy Technology Data Exchange (ETDEWEB)

    Bosetti, V.; Massetti, E.; Tavoni, M.

    2007-07-01

    WITCH - World Induced Technical Change Hybrid - is a regionally disaggregated hard link hybrid global model with a neoclassical optimal growth structure (top down) and an energy input detail (bottom up). The model endogenously accounts for technological change, both through learning curves affecting prices of new vintages of capital and through R and D investments. The model features the main economic and environmental policies in each world region as the outcome of a dynamic game. WITCH belongs to the class of Integrated Assessment Models as it possesses a climate module that feeds climate changes back into the economy. In this paper we provide a thorough discussion of the model structure and baseline projections. We report detailed information on the evolution of energy demand, technology and CO2 emissions. Finally, we explicitly quantifiy the role of free riding in determining the emissions scenarios. (auth)

  4. Modelling environmental dynamics. Advances in goematic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Paegelow, Martin [Toulouse-2 Univ., 31 (France). GEODE UMR 5602 CNRS; Camacho Olmedo, Maria Teresa (eds.) [Granada Univ (Spain). Dpto. de Analisis Geografico Regional y Geografia Fisica

    2008-07-01

    Modelling environmental dynamics is critical to understanding and predicting the evolution of the environment in response to the large number of influences including urbanisation, climate change and deforestation. Simulation and modelling provide support for decision making in environmental management. The first chapter introduces terminology and provides an overview of methodological modelling approaches which may be applied to environmental and complex dynamics. Based on this introduction this book illustrates various models applied to a large variety of themes: deforestation in tropical regions, fire risk, natural reforestation in European mountains, agriculture, biodiversity, urbanism, climate change and land management for decision support, etc. These case studies, provided by a large international spectrum of researchers and presented in a uniform structure, focus particularly on methods and model validation so that this book is not only aimed at researchers and graduates but also at professionals. (orig.)

  5. Manganese-incorporated iron(III) oxide-graphene magnetic nanocomposite: synthesis, characterization, and application for the arsenic(III)-sorption from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Nandi, Debabrata; Gupta, Kaushik; Ghosh, Arup Kumar [Presidency University, Department of Chemistry and Biochemistry (India); De, Amitabha [Saha Institute of Nuclear Physics, Chemical Science Division (India); Banerjee, Sangam [Saha Institute of Nuclear Physics, Surface Physics Division (India); Ghosh, Uday Chand, E-mail: ucghosh@yahoo.co.in [Presidency University, Department of Chemistry and Biochemistry (India)

    2012-12-15

    High specific surface area of graphene (GR) has gained special scientific attention in developing magnetic GR nanocomposite aiming to apply for the remediation of diverse environmental problems like point-of-use water purification and simultaneous separation of contaminants applying low external magnetic field (<1.0 T) from ground water. Fabrication of magnetic manganese-incorporated iron(III) oxide (Mn{sub x}{sup 2+}Fe{sub 2-x}{sup 3+}O{sub 4}{sup 2-}) (IMBO)-GR nanocomposite is reported by exfoliating the GR layers. Latest microscopic, spectroscopic, powder X-ray diffraction, BET surface area, and superconducting quantum interference device characterizations showed that the material is a magnetic nanocomposite with high specific surface area (280 m{sup 2} g{sup -1}) and pore volume (0.3362 cm{sup 3} g{sup -1}). Use of this composite for the immobilization of carcinogenic As(III) from water at 300 K and pH {approx}7.0 showed that the nanocomposite has higher binding efficiency with As(III) than the IMBO owing to its high specific surface area. The composite showed almost complete (>99.9 %) As(III) removal ({<=}10 {mu}g L{sup -1}) from water. External magnetic field of 0.3 T efficiently separated the water dispersed composite (0.01 g/10 mL) at room temperature (300 K). Thus, this composite is a promising material which can be used effectively as a potent As(III) immobilizer from the contaminated groundwater (>10 {mu}g L{sup -1}) to improve drinking water quality.

  6. Regularity of solutions of a phase field model

    KAUST Repository

    Amler, Thomas

    2013-01-01

    Phase field models are widely-used for modelling phase transition processes such as solidification, freezing or CO2 sequestration. In this paper, a phase field model proposed by G. Caginalp is considered. The existence and uniqueness of solutions are proved in the case of nonsmooth initial data. Continuity of solutions with respect to time is established. In particular, it is shown that the governing initial boundary value problem can be considered as a dynamical system. © 2013 International Press.

  7. New solution for the Schwinger model

    International Nuclear Information System (INIS)

    Baaquie, B.E.

    1980-08-01

    We solve the Schwinger model exactly using the path integral. The fermion sector is solved using the axial current anomaly. We then study the Wilson loop integral for the interacting theory, and discuss the Wilson criterion for confinement. (author)

  8. Solutions manual to accompany finite mathematics models and applications

    CERN Document Server

    Morris, Carla C

    2015-01-01

    A solutions manual to accompany Finite Mathematics: Models and Applications In order to emphasize the main concepts of each chapter, Finite Mathematics: Models and Applications features plentiful pedagogical elements throughout such as special exercises, end notes, hints, select solutions, biographies of key mathematicians, boxed key principles, a glossary of important terms and topics, and an overview of use of technology. The book encourages the modeling of linear programs and their solutions and uses common computer software programs such as LINDO. In addition to extensive chapters on pr

  9. Transferable tight-binding model for strained group IV and III-V materials and heterostructures

    Science.gov (United States)

    Tan, Yaohua; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy B.; Klimeck, Gerhard

    2016-07-01

    It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduce a transferable s p3d5s* tight-binding model with nearest-neighbor interactions for arbitrarily strained group IV and III-V materials. The tight-binding model is parametrized with respect to hybrid functional (HSE06) calculations for varieties of strained systems. The tight-binding calculations of ultrasmall superlattices formed by group IV and group III-V materials show good agreement with the corresponding HSE06 calculations. The application of the tight-binding model to superlattices demonstrates that the transferable tight-binding model with nearest-neighbor interactions can be obtained for group IV and III-V materials.

  10. Classical solutions for a one phase osmosis model

    NARCIS (Netherlands)

    Lippoth, F.; Prokert, G.

    2011-01-01

    For a moving boundary problem modelling the motion of a semipermeable membrane by osmotic pressure and surface tension we prove the existence and uniqueness of classical solutions on small time intervals. Moreover, we construct solutions existing on arbitrary long time intervals, provided the

  11. U(VI) and Eu(III) ion sorption in the interface solution-phosphate solids: Structural study and mechanisms

    International Nuclear Information System (INIS)

    Drot, Romuald

    1998-01-01

    As part of the storage of nuclear wastes in a deep underground disposal, radionuclides sorption on geological or engineered barriers is one of the most important factor which could enhance retardation. Thus, the knowledge of such mechanisms is needed. For this purpose, we chose to experimentally define sorption equilibria before performing simulation of retention data. Several phosphate compounds are potential candidates as engineered barrier additives. We considered Th 4 (PO 4 ) 4 P 2 O 7 , Zr 2 O(PO 4 ) 2 which allow to study the effect of PO 4 and P 2 O 7 groups separately. Eu(III) and U(IV) ions were used as structural probes in order to simulate actinides (III) and (VI) behavior. X-ray powder diffraction, IR spectroscopy and electron probe microanalysis were used to characterized the synthesized solids. Electrophoretic measurements showed an amphoteric behavior of surface sites. Moreover, laser spectro-fluorimetry experiments indicated that no diffusion phenomena of the sorbed ion inside the solid occurs. Thus, we considered that a surface complexation model should be applied. Laser spectro-fluorimetry and XPS allowed to determine the nature of surface sites. ZrP 2 O 7 presents only one single site (P 2 O 7 groups) whereas Th 4 (PO 4 ) 4 P 2 O 7 and Zr 2 O(PO 4 ) 2 admit two types of sites (PO 4 /P 2 O 7 and PO 4 /oxo groups, respectively). Sorbed species were identified using laser spectro-fluorimetry which indicate that, in KNO 3 0.5 M medium and for a known surface site, there are two surface complexes for U(VI) (sorption of UO 2+ 2 et de UO 2 NO + 3 species) and only one for Eu(III) (sorption of EuNO 2+ 3 ). They are linked to the substrate as bidentate inner sphere complexes (EXAFS study). Surface acidity constants were determined by simulation of potentiometric titration curves obtained for each solid suspension using FITEQL code (CCM). As sorption equilibria were defined, experimental retention data simulation was performed with respect to structural

  12. Kinetic modeling of antimony(III) oxidation and sorption in soils.

    Science.gov (United States)

    Cai, Yongbing; Mi, Yuting; Zhang, Hua

    2016-10-05

    Kinetic batch and saturated column experiments were performed to study the oxidation, adsorption and transport of Sb(III) in two soils with contrasting properties. Kinetic and column experiment results clearly demonstrated the extensive oxidation of Sb(III) in soils, and this can in return influence the adsorption and transport of Sb. Both sorption capacity and kinetic oxidation rate were much higher in calcareous Huanjiang soil than in acid red Yingtan soil. The results indicate that soil serve as a catalyst in promoting oxidation of Sb(III) even under anaerobic conditions. A PHREEQC model with kinetic formulations was developed to simulate the oxidation, sorption and transport of Sb(III) in soils. The model successfully described Sb(III) oxidation and sorption data in kinetic batch experiment. It was less successful in simulating the reactive transport of Sb(III) in soil columns. Additional processes such as colloid facilitated transport need to be quantified and considered in the model. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Determination of the solubility of Np(IV), Pu(III) - (VI),Am(III) - (VI), and Te(IV), (V) hydroxo compounds in 0.5 - 14 M NaOH solutions

    Energy Technology Data Exchange (ETDEWEB)

    Delegard, C.H.

    1996-09-24

    The solubilities of Am(III), Np(IV), Pu(IV), Tc(IV), Np(V), Pu(V), Am(V), and Tc(V) hydroxo compounds were studied in 0.5 to 14 M NaOH solutions at 25{+-}2 {degrees}C. The effects of fluoride, phosphate, carbonate, oxalate, and some other organic complexing agents on the solubilities of Np(IV), Pu(IV), and TC(IV) hydroxides were investigated at 1.0 and 4.0 M NAOH. Some predictions were made on the dissolved (I.V) and (V) species present in alkali solutions.

  14. Measurement and modeling of advanced coal conversion processes, Volume III

    Energy Technology Data Exchange (ETDEWEB)

    Ghani, M.U.; Hobbs, M.L.; Hamblen, D.G. [and others

    1993-08-01

    A generalized one-dimensional, heterogeneous, steady-state, fixed-bed model for coal gasification and combustion is presented. The model, FBED-1, is a design and analysis tool that can be used to simulate a variety of gasification, devolatilization, and combustion processes. The model considers separate gas and solid temperatures, axially variable solid and gas flow rates, variable bed void fraction, coal drying, devolatilization based on chemical functional group composition, depolymerization, vaporization and crosslinking, oxidation, and gasification of char, and partial equilibrium in the gas phase.

  15. Modelling solid solutions with cluster expansion, special quasirandom structures, and thermodynamic approaches

    Science.gov (United States)

    Saltas, V.; Horlait, D.; Sgourou, E. N.; Vallianatos, F.; Chroneos, A.

    2017-12-01

    Modelling solid solutions is fundamental in understanding the properties of numerous materials which are important for a range of applications in various fields including nanoelectronics and energy materials such as fuel cells, nuclear materials, and batteries, as the systematic understanding throughout the composition range of solid solutions for a range of conditions can be challenging from an experimental viewpoint. The main motivation of this review is to contribute to the discussion in the community of the applicability of methods that constitute the investigation of solid solutions computationally tractable. This is important as computational modelling is required to calculate numerous defect properties and to act synergistically with experiment to understand these materials. This review will examine in detail two examples: silicon germanium alloys and MAX phase solid solutions. Silicon germanium alloys are technologically important in nanoelectronic devices and are also relevant considering the recent advances in ternary and quaternary groups IV and III-V semiconductor alloys. MAX phase solid solutions display a palette of ceramic and metallic properties and it is anticipated that via their tuning they can have applications ranging from nuclear to aerospace industries as well as being precursors for particular MXenes. In the final part, a brief summary assesses the limitations and possibilities of the methodologies discussed, whereas there is discussion on the future directions and examples of solid solution systems that should prove fruitful to consider.

  16. Analytical solution of dispersion relations for the nuclear optical model

    Energy Technology Data Exchange (ETDEWEB)

    VanderKam, J.M. [Center for Communications Research, Thanet Road, Princeton, NJ 08540 (United States); Weisel, G.J. [Triangle Universities Nuclear Laboratory, and Duke University, Box 90308, Durham, NC 27708-0308 (United States); Penn State Altoona, 3000 Ivyside Park, Altoona, PA 16601-3760 (United States); Tornow, W. [Triangle Universities Nuclear Laboratory, and Duke University, Box 90308, Durham, NC 27708-0308 (United States)

    2000-12-01

    Analytical solutions of dispersion integral relations, linking the real and imaginary parts of the nuclear optical model, have been derived. These are displayed for some widely used forms of the volume- and surface-absorptive nuclear potentials. When the analytical solutions are incorporated into the optical-model search code GENOA, replacing a numerical integration, the code runs three and a half to seven times faster, greatly aiding the analysis of direct-reaction, elastic scattering data. (author)

  17. Skyrmion solutions to the Weinberg-Salam model

    International Nuclear Information System (INIS)

    Eilam, G.; Klabucar, D.; Stern, A.

    1986-01-01

    We find a spherically symmetric solution to the gauged SU(2)/sub L/ x SU(2)/sub R/ chiral model. It corresponds to a new classical solution to the Weinberg-Salam model in the limit of infinite self-coupling and sin 2 theta/sub W/ = 0. It has an energy of 11.6 TeV and is classically unstable under small perturbations of the fields. Quantum corrections may stabilize the solution via the introduction of higher-order terms in the effective action. We then investigate the solutions when a particular choice of a correction, the Skyrme term, is added to the Lagrangian. The energies of the (presumably) classically stable solutions are in the terraelectrovolt region

  18. Kinetics and selectivity of the oxidation of methylbenzenes in Co(III)-CH3COOH-CF3COOH solutions. Comparison with nitration and hydroxylation reactions

    International Nuclear Information System (INIS)

    Rudakov, E.S.; Lobachev, V.L.

    1989-01-01

    Data have been obtained concerning the kinetics, substrate selectivity, and kinetic isotope effect for the first stage in the oxidation of a series of arenes, from benzene to hexamethylbenzene, by Co(III) acetate in CH 3 COOH-CF 3 COOH (1.9 M) solutions at 25 degree C. A similarity was noted between substrate selectivity for reactions of alkylbenzenes with Co(III) and electrophilic nitration reactions, which occur via an electron transfer step. It was also found that substrate selectivity for these reactions differs significantly from that found for electrophilic hydroxylation reactions, which occur via an intermediate slow step involving σ-complex formation

  19. GRRR. The EXPECT groundwater model for transport of solutes

    NARCIS (Netherlands)

    Meijers R; Sauter FJ; Veling EJM; van Grinsven JJM; Leijnse A; Uffink GJM; MTV; CWM; LBG

    1994-01-01

    In this report the design and first test results are presented of the EXPECT groundwater module for transport of solutes GRRR (GRoundwater source Receptor Relationships). This model is one of the abiotic compartment modules of the EXPECT model. The EXPECT model is a tool for scenario development

  20. The Solution Construction of Heterotic Super-Liouville Model

    Science.gov (United States)

    Yang, Zhan-Ying; Zhen, Yi

    2001-12-01

    We investigate the heterotic super-Liouville model on the base of the basic Lie super-algebra Osp(1|2).Using the super extension of Leznov-Saveliev analysis and Drinfeld-Sokolov linear system, we construct the explicit solution of the heterotic super-Liouville system in component form. We also show that the solutions are local and periodic by calculating the exchange relation of the solution. Finally starting from the action of heterotic super-Liouville model, we obtain the conserved current and conserved charge which possessed the BRST properties.

  1. Simultaneous determination of chromium(III) and chromium(VI) in aqueous solutions by ion chromatography and chemiluminescence detection

    DEFF Research Database (Denmark)

    Gammelgaard, Bente; Jøns, O; Nielsen, B

    1992-01-01

    A method for the simultaneous determination of chromium(iii) and chromium(vi) in a flow system based on chemiluminescence was developed. A Dionex cation-exchange guard column was used to separate chromium(iii) from chromium(vi), and chromium(vi) was reduced by potassium sulfite, whereupon both...

  2. Topics in dual models and extended solutions

    International Nuclear Information System (INIS)

    Roth, R.S.

    1977-01-01

    Two main topics are explored. The first deals with the infinities arising from the one loop planar string diagram of the standard dual model. It is shown that for the number of dimensions d = 25 or 26, these infinities lead to a renormalization of the slope of the Regge trajectories, in addition to a renormalization of the coupling constant. The second topic deals with the propagator for a confined particle (monopole) in a field theory. When summed to all orders, this propagator is altogether free of singularities in the finite momentum plane, and an attempt is made to illustrate this. The Bethe-Salpeter equation is examined and it is shown that ladder diagrams are not sufficient to obtain this result. However, in a nonrelativistic approximation confinement is obtained and all poles disappear

  3. Improving Hybrid III injury assessment in steering wheel rim to chest impacts using responses from finite element Hybrid III and human body model.

    Science.gov (United States)

    Holmqvist, Kristian; Davidsson, Johan; Mendoza-Vazquez, Manuel; Rundberget, Peter; Svensson, Mats Y; Thorn, Stefan; Törnvall, Fredrik

    2014-01-01

    The main aim of this study was to improve the quality of injury risk assessments in steering wheel rim to chest impacts when using the Hybrid III crash test dummy in frontal heavy goods vehicle (HGV) collision tests. Correction factors for chest injury criteria were calculated as the model chest injury parameter ratios between finite element (FE) Hybrid III, evaluated in relevant load cases, and the Total Human Model for Safety (THUMS). This is proposed to be used to compensate Hybrid III measurements in crash tests where steering wheel rim to chest impacts occur. The study was conducted in an FE environment using an FE-Hybrid III model and the THUMS. Two impactor shapes were used, a circular hub and a long, thin horizontal bar. Chest impacts at velocities ranging from 3.0 to 6.0 m/s were simulated at 3 impact height levels. A ratio between FE-Hybrid III and THUMS chest injury parameters, maximum chest compression C max, and maximum viscous criterion VC max, were calculated for the different chest impact conditions to form a set of correction factors. The definition of the correction factor is based on the assumption that the response from a circular hub impact to the middle of the chest is well characterized and that injury risk measures are independent of impact height. The current limits for these chest injury criteria were used as a basis to develop correction factors that compensate for the limitations in biofidelity of the Hybrid III in steering wheel rim to chest impacts. The hub and bar impactors produced considerably higher C max and VC max responses in the THUMS compared to the FE-Hybrid III. The correction factor for the responses of the FE-Hybrid III showed that the criteria responses for the bar impactor were consistently overestimated. Ratios based on Hybrid III and THUMS responses provided correction factors for the Hybrid III responses ranging from 0.84 to 0.93. These factors can be used to estimate C max and VC max values when the Hybrid III is

  4. Multi-skyrmion solutions of a sixth order Skyrme model

    International Nuclear Information System (INIS)

    Floratos, I.

    2001-08-01

    In this thesis, we study some of the classical properties of an extension of the Skyrme model defined by adding a sixth order derivative term to the Lagrangian. In chapter 1, we review the physical as well as the mathematical motivation behind the study of the Skyrme model and in chapter 2, we give a brief summary of various extended Skyrme models that have been proposed over the last few years. We then define a new sixth order Skyrme model by introducing a dimensionless parameter λ that denotes the mixing between the two higher order terms, the Skyrme term and the sixth order term. In chapter 3 we compute numerically the multi-skyrmion solutions of this extended model and show that they have the same symmetries with the usual skyrmion solutions. In addition, we analyse the dependence of the energy and radius of these classical solutions with respect to the coupling constant λ. We compare our results with experimental data and determine whether this modified model can provide us with better theoretical predictions than the original one. In chapter 4, we use the rational map ansatz, introduced by Houghton, Manton and Sutcliffe, to approximate minimum energy multi-skyrmion solutions with B ≤ 9 of the SU(2) model and with B ≤ 6 of the SU(3) model. We compare our results with the ones obtained numerically and show that the rational map ansatz works just as well for the generalised model as for the pure Skyrme model, at least for B ≤ 5. In chapter 5, we use a generalisation of the rational map ansatz, introduced by loannidou, Piette and Zakrzewski, to construct analytically some topologically non-trivial solutions of the extended model in SU(3). These solutions are spherically symmetric and some of them can be interpreted as bound states of skyrmions. Finally, we use the same ansatz to construct low energy configurations of the SU(N) sixth order Skyrme model. (author)

  5. Computer - based modeling in extract sciences research -III ...

    African Journals Online (AJOL)

    Molecular modeling techniques have been of great applicability in the study of the biological sciences and other exact science fields like agriculture, mathematics, computer science and the like. In this write up, a list of computer programs for predicting, for instance, the structure of proteins has been provided. Discussions on ...

  6. Model validation studies of solar systems, Phase III. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Lantz, L.J.; Winn, C.B.

    1978-12-01

    Results obtained from a validation study of the TRNSYS, SIMSHAC, and SOLCOST solar system simulation and design are presented. Also included are comparisons between the FCHART and SOLCOST solar system design programs and some changes that were made to the SOLCOST program. Finally, results obtained from the analysis of several solar radiation models are presented. Separate abstracts were prepared for ten papers.

  7. Synthesis and characterization of a porphyrazine-Gd(III) MRI contrast agent and in vivo imaging of a breast cancer xenograft model.

    Science.gov (United States)

    Trivedi, Evan R; Ma, Zhidong; Waters, Emily A; Macrenaris, Keith W; Subramanian, Rohit; Barrett, Anthony G M; Meade, Thomas J; Hoffman, Brian M

    2014-01-01

    Porphyrazines (Pz), or tetraazaporphyrins, are being studied for their potential use in detection and treatment of cancer. Here, an amphiphilic Cu-Pz-Gd(III) conjugate has been prepared via azide-alkyne Huisgen cycloaddition or 'click' chemistry between an azide functionalized Pz and alkyne functionalized DOTA-Gd(III) analog for use as an MRI contrast agent. This agent, Cu-Pz-Gd(III), is synthesized in good yield and exhibits solution-phase ionic relaxivity (r1  = 11.5 mM(-1) s(-1)) that is approximately four times higher than that of a clinically used monomeric Gd(III) contrast agent, DOTA-Gd(III). Breast tumor cells (MDA-MB-231) associate with Cu-Pz-Gd(III) in vitro, where significant contrast enhancement (9.336 ± 0.335 contrast-to-noise ratio) is observed in phantom cell pellet MR images. This novel contrast agent was administered in vivo to an orthotopic breast tumor model in athymic nude mice and MR images were collected. The average T1 of tumor regions in mice treated with 50 mg kg(-1) Cu-Pz-Gd(III) decreased relative to saline-treated controls. Furthermore, the decrease in T1 was persistent relative to mice treated with the monomeric Gd(III) contrast agent. An ex vivo biodistribution study confirmed that Cu-Pz-Gd(III) accumulates in the tumors and is rapidly cleared, primarily through the kidneys. Differential accumulation and T1 enhancement by Cu-Pz-Gd(III) in the tumor's core relative to the periphery offer preliminary evidence that this agent would find application in the imaging of necrotic tissue. Copyright © 2014 John Wiley & Sons, Ltd.

  8. Stochastic epidemic-type model with enhanced connectivity: exact solution

    International Nuclear Information System (INIS)

    Williams, H T; Mazilu, I; Mazilu, D A

    2012-01-01

    We present an exact analytical solution to a one-dimensional model of the susceptible–infected–recovered (SIR) epidemic type, with infection rates dependent on nearest-neighbor occupations. We use a quantum mechanical approach, transforming the master equation via a quantum spin operator formulation. We calculate exactly the time-dependent density of infected, recovered and susceptible populations for random initial conditions. Our results compare well with those of previous work, validating the model as a useful tool for additional and extended studies in this important area. Our model also provides exact solutions for the n-point correlation functions, and can be extended to more complex epidemic-type models

  9. Solvent extraction of Cs(I), Zn(II), Eu(III) and Am(III) by 2-heptyl-2-methyl-nonanoic acid (Ha) from nitrate solutions

    International Nuclear Information System (INIS)

    Ramadan, A.; Elnaggar, H.A.; Souka, N.; Abdelfattah, A.

    1994-01-01

    The present work is devoted to study the extraction behavior of caesium, zinc, europium and americium radioactive isotopes using a new extractant C H 3 (C H 2 ) 6 . C(C 7 H 1 5) (C H 3 ). COOH (Ha) dissolved in benzene from aqueous nitrate media of constant ionic strength (0.1 M) using HNO 3 -Na NO 3 mixtures. The effect temperature on the extraction of these elements was also investigated to evaluate the thermodynamic functions as well as the equilibrium constant of each reaction. The extraction mechanisms were postulated on the light of the available data and the extracted species were formulated in the proposed stoichiometric equation for the extraction of each element individually and these species were suggested to be Cs (A); Zn OH(A) and Zn(A) 2 ; Eu No 3 (A) 2 and Am(A) 3 and for Cs(I), Zn(II), Eu(III) and Am(III), respectively. The thermodynamic parameters show exothermic enthalpy for all the reactions and negative entropy values reflecting very good ordering extraction mechanisms. 10 figs, 1 tab

  10. Asymmetric Gepner models III. B-L lifting

    Energy Technology Data Exchange (ETDEWEB)

    Gato-Rivera, B. [NIKHEF Theory Group, Kruislaan 409, 1098 SJ Amsterdam (Netherlands); Instituto de Fisica Fundamental, CSIC, Serrano 123, Madrid 28006 (Spain); Schellekens, A.N., E-mail: t58@nikhef.n [NIKHEF Theory Group, Kruislaan 409, 1098 SJ Amsterdam (Netherlands); Instituto de Fisica Fundamental, CSIC, Serrano 123, Madrid 28006 (Spain); IMAPP, Radboud Universiteit, Nijmegen (Netherlands)

    2011-06-21

    In the same spirit as heterotic weight lifting, B-L lifting is a way of replacing the superfluous and ubiquitous U(1){sub B-L} with something else with the same modular properties, but different conformal weights and ground state dimensions. This method works in principle for all variants of (2,2) constructions, such as orbifolds, Calabi-Yau manifolds, free bosons and fermions and Gepner models, since it only modifies the universal SO(10)xE{sub 8} part of the CFT. However, it can only yield chiral spectra if the 'internal' sector of the theory provides a simple current of order 5. Here we apply this new method to Gepner models. Including exceptional invariants, 86 of them have the required order 5 simple current, and 69 of these yield chiral spectra. Three family spectra occur abundantly.

  11. Carbon dioxide stripping in aquaculture -- part III: model verification

    Science.gov (United States)

    Colt, John; Watten, Barnaby; Pfeiffer, Tim

    2012-01-01

    Based on conventional mass transfer models developed for oxygen, the use of the non-linear ASCE method, 2-point method, and one parameter linear-regression method were evaluated for carbon dioxide stripping data. For values of KLaCO2 < approximately 1.5/h, the 2-point or ASCE method are a good fit to experimental data, but the fit breaks down at higher values of KLaCO2. How to correct KLaCO2 for gas phase enrichment remains to be determined. The one-parameter linear regression model was used to vary the C*CO2 over the test, but it did not result in a better fit to the experimental data when compared to the ASCE or fixed C*CO2 assumptions.

  12. Adiabatic analysis of collisions. III. Remarks on the spin model

    International Nuclear Information System (INIS)

    Fano, U.

    1979-01-01

    Analysis of a spin-rotation model illustrates how transitions between adiabatic channel states stem from the second, rather than from the first, rate of change of these states, provided that appropriate identification of channels and scaling of the independent variable are used. These remarks, like the earlier development of a post-adiabatic approach, aim at elucidating the surprising success of approximate separation of variables in the treatment of complex mechanical systems

  13. Statistical model of a gas diffusion electrode. III. Photomicrograph study

    Energy Technology Data Exchange (ETDEWEB)

    Winsel, A W

    1965-12-01

    A linear section through a gas diffusion electrode produces a certain distribution function of sinews with the pores. From this distribution function some qualities of the pore structure are derived, and an automatic device to determine the distribution function is described. With a statistical model of a gas diffusion electrode the behavior of a DSK electrode is discussed and compared with earlier measurements of the flow resistance of this material.

  14. Modeling Complex Chemical Systems: Problems and Solutions

    Science.gov (United States)

    van Dijk, Jan

    2016-09-01

    Non-equilibrium plasmas in complex gas mixtures are at the heart of numerous contemporary technologies. They typically contain dozens to hundreds of species, involved in hundreds to thousands of reactions. Chemists and physicists have always been interested in what are now called chemical reduction techniques (CRT's). The idea of such CRT's is that they reduce the number of species that need to be considered explicitly without compromising the validity of the model. This is usually achieved on the basis of an analysis of the reaction time scales of the system under study, which identifies species that are in partial equilibrium after a given time span. The first such CRT that has been widely used in plasma physics was developed in the 1960's and resulted in the concept of effective ionization and recombination rates. It was later generalized to systems in which multiple levels are effected by transport. In recent years there has been a renewed interest in tools for chemical reduction and reaction pathway analysis. An example of the latter is the PumpKin tool. Another trend is that techniques that have previously been developed in other fields of science are adapted as to be able to handle the plasma state of matter. Examples are the Intrinsic Low Dimension Manifold (ILDM) method and its derivatives, which originate from combustion engineering, and the general-purpose Principle Component Analysis (PCA) technique. In this contribution we will provide an overview of the most common reduction techniques, then critically assess the pros and cons of the methods that have gained most popularity in recent years. Examples will be provided for plasmas in argon and carbon dioxide.

  15. Breeding novel solutions in the brain: a model of Darwinian neurodynamics.

    Science.gov (United States)

    Szilágyi, András; Zachar, István; Fedor, Anna; de Vladar, Harold P; Szathmáry, Eörs

    2016-01-01

    Background : The fact that surplus connections and neurons are pruned during development is well established. We complement this selectionist picture by a proof-of-principle model of evolutionary search in the brain, that accounts for new variations in theory space. We present a model for Darwinian evolutionary search for candidate solutions in the brain. Methods : We combine known components of the brain - recurrent neural networks (acting as attractors), the action selection loop and implicit working memory - to provide the appropriate Darwinian architecture. We employ a population of attractor networks with palimpsest memory. The action selection loop is employed with winners-share-all dynamics to select for candidate solutions that are transiently stored in implicit working memory. Results : We document two processes: selection of stored solutions and evolutionary search for novel solutions. During the replication of candidate solutions attractor networks occasionally produce recombinant patterns, increasing variation on which selection can act. Combinatorial search acts on multiplying units (activity patterns) with hereditary variation and novel variants appear due to (i) noisy recall of patterns from the attractor networks, (ii) noise during transmission of candidate solutions as messages between networks, and, (iii) spontaneously generated, untrained patterns in spurious attractors. Conclusions : Attractor dynamics of recurrent neural networks can be used to model Darwinian search. The proposed architecture can be used for fast search among stored solutions (by selection) and for evolutionary search when novel candidate solutions are generated in successive iterations. Since all the suggested components are present in advanced nervous systems, we hypothesize that the brain could implement a truly evolutionary combinatorial search system, capable of generating novel variants.

  16. Investigating multiple solutions in the constrained minimal supersymmetric standard model

    Energy Technology Data Exchange (ETDEWEB)

    Allanach, B.C. [DAMTP, CMS, University of Cambridge,Wilberforce Road, Cambridge, CB3 0HA (United Kingdom); George, Damien P. [DAMTP, CMS, University of Cambridge,Wilberforce Road, Cambridge, CB3 0HA (United Kingdom); Cavendish Laboratory, University of Cambridge,JJ Thomson Avenue, Cambridge, CB3 0HE (United Kingdom); Nachman, Benjamin [SLAC, Stanford University,2575 Sand Hill Rd, Menlo Park, CA 94025 (United States)

    2014-02-07

    Recent work has shown that the Constrained Minimal Supersymmetric Standard Model (CMSSM) can possess several distinct solutions for certain values of its parameters. The extra solutions were not previously found by public supersymmetric spectrum generators because fixed point iteration (the algorithm used by the generators) is unstable in the neighbourhood of these solutions. The existence of the additional solutions calls into question the robustness of exclusion limits derived from collider experiments and cosmological observations upon the CMSSM, because limits were only placed on one of the solutions. Here, we map the CMSSM by exploring its multi-dimensional parameter space using the shooting method, which is not subject to the stability issues which can plague fixed point iteration. We are able to find multiple solutions where in all previous literature only one was found. The multiple solutions are of two distinct classes. One class, close to the border of bad electroweak symmetry breaking, is disfavoured by LEP2 searches for neutralinos and charginos. The other class has sparticles that are heavy enough to evade the LEP2 bounds. Chargino masses may differ by up to around 10% between the different solutions, whereas other sparticle masses differ at the sub-percent level. The prediction for the dark matter relic density can vary by a hundred percent or more between the different solutions, so analyses employing the dark matter constraint are incomplete without their inclusion.

  17. Computer modelling of the chemical speciation of Americium (III) in human body fluids

    International Nuclear Information System (INIS)

    Jiang, Shu-bin; Lei, Jia-rong; Wang, He-yi; Zhong, Zhi-jing; Yang, Yong; Du, Yang

    2008-01-01

    A multi-phase equilibrium model consisted of multi-metal ion and low molecular mass ligands in human body fluid has been constructed to discuss the speciation of Am 3+ in gastric juice, sweat, interstitial fluid, intracellular fluid and urine of human body, respectively. Computer simulations indicated that the major Am(III)P Species were Am 3+ , [Am Cl] 2+ and [AmH 2 PO 4 ] 2+ at pH 4 became dominant with higher pH value when [Am] = 1 x 10 -7 mol/L in gastric juice model and percentage of AmPO 4 increased with [Am]. in sweat system, Am(III) existed with soluble species at pH 4.2∼pH 7.5 when [Am] = 1 x 10 -7 mol/L and Am(III) existed with Am 3+ and [Am OH] 2+ at pH 6.5 when [Am] -10 mol/L or [Am] > 5 x 10 -8 mol/L . With addition of EDTA, the Am(III) existed with soluble [Am EDTA] - whereas the Am(III) existed with insoluble AmPO 4 when [Am] > 1 x 10 -12 mol/L at interstitial fluid. The major Am(III) species was AmPO 4 at pH 7.0 and [Am]=4 x 10 -12 mol/L in intracellular fluid, which implied Am(III) represented strong cell toxicity. The percentage of Am(III) soluble species increased at lower pH hinted that the Am(III), in the form of aerosol, ingested by macrophage, could released into interstitial fluid and bring strong toxicity to skeleton system. The soluble Am(III) species was dominant when pH 4 when pH > 4.5 when [Am] = 1 x 10 -10 Pmol/L in human urine, so it was favorable to excrete Am(III) from kidney by taking acid materials. (author)

  18. Modelling with the master equation solution methods and applications in social and natural sciences

    CERN Document Server

    Haag, Günter

    2017-01-01

    This book presents the theory and practical applications of the Master equation approach, which provides a powerful general framework for model building in a variety of disciplines. The aim of the book is to not only highlight different mathematical solution methods, but also reveal their potential by means of practical examples. Part I of the book, which can be used as a toolbox, introduces selected statistical fundamentals and solution methods for the Master equation. In Part II and Part III, the Master equation approach is applied to important applications in the natural and social sciences. The case studies presented mainly hail from the social sciences, including urban and regional dynamics, population dynamics, dynamic decision theory, opinion formation and traffic dynamics; however, some applications from physics and chemistry are treated as well, underlining the interdisciplinary modelling potential of the Master equation approach. Drawing upon the author’s extensive teaching and research experience...

  19. Cladding failure model III (CFM III). A simple model for iodine induced stress corrosion cracking of zirconium-lined barrier and standard zircaloy cladding

    International Nuclear Information System (INIS)

    Tasooji, A.; Miller, A.K.

    1984-01-01

    A previously developed unified model (SCCIG*) for predicting iodine induced SCC in standard Zircaloy cladding was modified recently into the ''SCCIG-B'' model which predicts the stress corrosion cracking behaviour of zirconium lined barrier cladding. Several published papers have presented the capability of these models for predicting various observed behaviours related to SCC. A closed form equation, called Cladding Failure Model III (CMFIII), has been derived from the SCCIG-B model. CFMIII takes the form of an explicit equation for the radial crack growth rate dc/dt as a function of hoop strain, crack depth, temperature, and surface iodine concentration in irradiated cladding (both barrier and standard Zircaloy). CMFIII has approximately the same predictive capabilities as the physically based SCCIG and/or SCCIG-B models but is computationally faster and more convenient and can be easily utilized in fuel performance codes for predicting the behaviour of barrier and standard claddings in reactor operations. (author)

  20. Solar Magnetic Carpet III: Coronal Modelling of Synthetic Magnetograms

    Science.gov (United States)

    Meyer, K. A.; Mackay, D. H.; van Ballegooijen, A. A.; Parnell, C. E.

    2013-09-01

    This article is the third in a series working towards the construction of a realistic, evolving, non-linear force-free coronal-field model for the solar magnetic carpet. Here, we present preliminary results of 3D time-dependent simulations of the small-scale coronal field of the magnetic carpet. Four simulations are considered, each with the same evolving photospheric boundary condition: a 48-hour time series of synthetic magnetograms produced from the model of Meyer et al. ( Solar Phys. 272, 29, 2011). Three simulations include a uniform, overlying coronal magnetic field of differing strength, the fourth simulation includes no overlying field. The build-up, storage, and dissipation of magnetic energy within the simulations is studied. In particular, we study their dependence upon the evolution of the photospheric magnetic field and the strength of the overlying coronal field. We also consider where energy is stored and dissipated within the coronal field. The free magnetic energy built up is found to be more than sufficient to power small-scale, transient phenomena such as nanoflares and X-ray bright points, with the bulk of the free energy found to be stored low down, between 0.5 - 0.8 Mm. The energy dissipated is currently found to be too small to account for the heating of the entire quiet-Sun corona. However, the form and location of energy-dissipation regions qualitatively agree with what is observed on small scales on the Sun. Future MHD modelling using the same synthetic magnetograms may lead to a higher energy release.

  1. Dissociation and Dioxygen Formation in Hydroxide Solutions of Tris (2,2- bipyridyl) Iron (III) and Tris (1,10-phenanthroline) Iron (III)

    DEFF Research Database (Denmark)

    Nord, G.; Pedersen, B.; Bjergbakke, Erling

    1983-01-01

    The fast redox reactions of the title Fe(II1) complexes in basic solutions give the Fe(I1) complexes and coordinated ligand N-oxide as primary products. Further reactions by parallel paths include dissociation to give the free ligand N-oxide and catalysis by hydroxy Fe(II1) complexes leading...

  2. Projective limits of state spaces III. Toy-models

    Science.gov (United States)

    Lanéry, Suzanne; Thiemann, Thomas

    2018-01-01

    In this series of papers, we investigate the projective framework initiated by Kijowski (1977) and Okołów (2009, 2014, 2013) [1,2], which describes the states of a quantum theory as projective families of density matrices. A short reading guide to the series can be found in Lanéry (2016). A strategy to implement the dynamics in this formalism was presented in our first paper Lanéry and Thiemann (2017) (see also Lanéry, 2016, section 4), which we now test in two simple toy-models. The first one is a very basic linear model, meant as an illustration of the general procedure, and we will only discuss it at the classical level. In the second one, we reformulate the Schrödinger equation, treated as a classical field theory, within this projective framework, and proceed to its (non-relativistic) second quantization. We are then able to reproduce the physical content of the usual Fock quantization.

  3. Baryons as solitonic solutions of the chiral sigma model

    International Nuclear Information System (INIS)

    Bentz, W.; Hartmann, J.; Beck, F.

    1996-01-01

    Self-consistent solitonic solutions with baryon number one are obtained in the chiral quark sigma model. The translational invariant vacuum is stabilized by a Landau ghost subtraction procedure based on the requirement of the Kaellacute en-Lehmann (KL) representation for the meson propagators. The connection of this ghost free model (KL model) to the more popular Nambu-Jona-Lasinio (NJL) model is discussed in detail. copyright 1996 The American Physical Society

  4. Modeling of the adsorptive removal of arsenic(III) using plant biomass: a bioremedial approach

    Science.gov (United States)

    Roy, Palas; Dey, Uttiya; Chattoraj, Soumya; Mukhopadhyay, Debasis; Mondal, Naba Kumar

    2017-06-01

    In the present work, the possibility of using a non-conventional finely ground (250 μm) Azadirachta indica (neem) bark powder [AiBP] has been tested as a low-cost biosorbent for the removal of arsenic(III) from water. The removal of As(III) was studied by performing a series of biosorption experiments (batch and column). The biosorption behavior of As(III) for batch and column operations were examined in the concentration ranges of 50-500 µg L-1 and 500.0-2000.0 µg L-1, respectively. Under optimized batch conditions, the AiBP could remove up to 89.96 % of As(III) in water system. The artificial neural network (ANN) model was developed from batch experimental data sets which provided reasonable predictive performance ( R 2 = 0.961; 0.954) of As(III) biosorption. In batch operation, the initial As(III) concentration had the most significant impact on the biosorption process. For column operation, central composite design (CCD) was applied to investigate the influence on the breakthrough time for optimization of As(III) biosorption process and evaluation of interacting effects of different operating variables. The optimized result of CCD revealed that the AiBP was an effective and economically feasible biosorbent with maximum breakthrough time of 653.9 min, when the independent variables were retained at 2.0 g AiBP dose, 2000.0 µg L-1 initial As(III) concentrations, and 3.0 mL min-1 flow rate, at maximum desirability value of 0.969.

  5. The effects of aging time on the size, morphology, oriented attachment and magnetic behavior of hematite nanocrystals synthesized by forced hydrolysis of FeIII solutions

    International Nuclear Information System (INIS)

    Luna, C.; Barriga-Castro, E.D.; Mendoza-Reséndez, R.

    2014-01-01

    Graphical abstract: -- Abstract: Three-dimensional (3-D) nanoarchitectures composed of self-organized hematite nanocrystals were successfully prepared by thermally induced hydrolysis of iron (III) solutions in the presence of urea and without additional stabilizers. The size, morphology and microstructure of these nanocrystal aggregates were investigated as a function of aging time using X-ray diffraction, transmission electron microscopy and selected area electron diffraction. The evolution of the microstructural parameters, including crystallite size, root mean square strain and lattice parameters, was analyzed by the Rietveld method using the MAUD software program and adopting the size–strain–shape Popa model. In addition, vibrating-sample magnetometry measurements were carried out to examine the magnetic behavior of the nanoarchitectures. These studies suggested that the formation mechanism of the observed nanoarchitectures consisted of several self-organization processes linked in hierarchical levels. The nanocrystals within these nanoarchitectures grew in size by Ostwald ripening and subsequent grain growth when they were aged at 98 °C in tightly capped tubes for an aging time that varied from 2 h up to 45 days. The crystal morphology evolved favoring a rhombohedral shape until intergrowth between the densely packed nanocrystals occurred. Consequently, the morphology of the nanoarchitectures, their effective magnetic anisotropy, the occurrence of the Morin transition and the exchange bias effect were also strongly dependent on the aging time

  6. Determination of stability constants for thallium(III) cyanide complexes in aqueous solution by means of 13C and 205Ti NMR

    International Nuclear Information System (INIS)

    Blixt, J.; Gyori, B.; Glaser, J.

    1989-01-01

    In contrast to what is usually assumed, we have found and proved that thallium(III) forms very strong cyanide complexes in aqueous solution. The authors have investigated this system using 205 Tl, 13 C, and 14 N NMR and potentiometry and established the existence of four thallium(III)-cyanide complexes of the composition Tl(CN) n 3-n , n = 1-4. We have measured their chemical shifts and spin-spin coupling constants and determined their formation constants at 25 degree C in dilute (0.05 M) aqueous solution in the ionic medium ([Na + ] = 1 M, [Li + ] + [H + ] = 3 M, [ClO 4 - ] = 4 M). We have also determined the stability constant for HCN in the same ionic medium, log K a = 10.11 (5)

  7. LPV model development and control of a solution copolymerization reactor

    NARCIS (Netherlands)

    Rahme, S.; Abbas, H.M.S.; Meskin, N.; Tóth, R.; Mohammadpour, J.

    2016-01-01

    In this paper, linear parameter-varying (LPV) control is considered for a solution copolymerization reactor, which takes into account the time-varying nature of the parameters of the process. The nonlinear model of the process is first converted to an exact LPV model representation in the

  8. Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations

    DEFF Research Database (Denmark)

    Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing

    2007-01-01

    Fluctuation solution theory (FST) is employed to analyze results of molecular dynamics (MD) simulations of liquid mixtures. The objective is to generate parameters for macroscopic GE-models, here the modified Margules model. We present a strategy for choosing the number of parameters included...

  9. Ethanol mediated As(III) adsorption onto Zn-loaded pinecone biochar: Experimental investigation, modeling, and optimization using hybrid artificial neural network-genetic algorithm approach.

    Science.gov (United States)

    Zafar, Mohd; Van Vinh, N; Behera, Shishir Kumar; Park, Hung-Suck

    2017-04-01

    Organic matters (OMs) and their oxidization products often influence the fate and transport of heavy metals in the subsurface aqueous systems through interaction with the mineral surfaces. This study investigates the ethanol (EtOH)-mediated As(III) adsorption onto Zn-loaded pinecone (PC) biochar through batch experiments conducted under Box-Behnken design. The effect of EtOH on As(III) adsorption mechanism was quantitatively elucidated by fitting the experimental data using artificial neural network and quadratic modeling approaches. The quadratic model could describe the limiting nature of EtOH and pH on As(III) adsorption, whereas neural network revealed the stronger influence of EtOH (64.5%) followed by pH (20.75%) and As(III) concentration (14.75%) on the adsorption phenomena. Besides, the interaction among process variables indicated that EtOH enhances As(III) adsorption over a pH range of 2 to 7, possibly due to facilitation of ligand-metal(Zn) binding complexation mechanism. Eventually, hybrid response surface model-genetic algorithm (RSM-GA) approach predicted a better optimal solution than RSM, i.e., the adsorptive removal of As(III) (10.47μg/g) is facilitated at 30.22mg C/L of EtOH with initial As(III) concentration of 196.77μg/L at pH5.8. The implication of this investigation might help in understanding the application of biochar for removal of various As(III) species in the presence of OM. Copyright © 2016. Published by Elsevier B.V.

  10. A Mesoscopic Model for Protein-Protein Interactions in Solution

    OpenAIRE

    Lund, Mikael; Jönsson, Bo

    2003-01-01

    Protein self-association may be detrimental in biological systems, but can be utilized in a controlled fashion for protein crystallization. It is hence of considerable interest to understand how factors like solution conditions prevent or promote aggregation. Here we present a computational model describing interactions between protein molecules in solution. The calculations are based on a molecular description capturing the detailed structure of the protein molecule using x-ray or nuclear ma...

  11. The Fermi-Pasta-Ulam Model Periodic Solutions

    CERN Document Server

    Arioli, G; Terracini, S

    2003-01-01

    We introduce two novel methods for studying periodic solutions of the FPU beta-model, both numerically and rigorously. One is a variational approach, based on the dual formulation of the problem, and the other involves computer-assisted proofs. These methods are used e.g. to construct a new type of solutions, whose energy is spread among several modes, associated with closely spaced resonances.

  12. Jacobian elliptic wave solutions in an anharmonic molecular crystal model

    International Nuclear Information System (INIS)

    Teh, C.G.R.; Lee, B.S.; Koo, W.K.

    1997-07-01

    Explicit Jacobian elliptic wave solutions are found in the anharmonic molecular crystal model for both the continuum limit and discrete modes. This class of wave solutions include the famous pulse-like and kink-like solitary modes. We would also like to report on the existence of some highly discrete staggered solitary wave modes not found in the continuum limit. (author). 9 refs, 1 fig

  13. A novel aggregation induced emission active cyclometalated Ir(III) complex as a luminescent probe for detection of copper(II) ion in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Wei; Yan, Liqiang; Tian, Wenwen; Cui, Xia; Qi, Zhengjian, E-mail: qizhengjian@seu.edu.cn; Sun, Yueming, E-mail: sun@seu.edu.cn

    2016-09-15

    We report the synthesis and characterization of a novel aggregation induced emission (AIE) active cyclometalated Ir(III) complex, namely [Ir(dfppy){sub 2}(phen-DPA)]PF{sub 6}, where dfppy and phen-DPA represent 2-(2,4-difluorophenyl)pyridine and 2-(bis(pyridin-2-ylmethyl)amino)-N-(1,10-phenanthrolin-5-yl)acetamide, respectively. The complex showed remarkable selectivity for copper(II) in aqueous solution over other competitive ions. Furthermore, this sensor showed a rapid and reversible response to copper(II) in aqueous solution with a detection limit of 65 nM.

  14. Solubility of chromium (III) oxide and metal chromates: development of MULTEQ models

    International Nuclear Information System (INIS)

    Dickinson, Shirley; Henshaw, Jim; Bachet Martin; Hussey, Dennis; Marks, Chuck; Tremaine, Peter; Eaker, Richard

    2012-09-01

    High-temperature solubility predictions for metal oxide systems are important for the understanding of corrosion processes, corrosion product behaviour and activity transport in PWR coolant systems. In the current work, literature data on chromium oxide and iron chromium solubility measurement have been used to derive equilibrium constant expressions for dissolution and hydrolysis reactions which have been incorporated in the latest revision of the EPRI MULTEQ database. Predicting the stable chromium phases in a PWR is important as these constitute the compact inner oxide layer that forms on most ex-core alloys used in this system. Likewise understanding the chromium chemistry is necessary for rationalising high chromium content crud that has been observed on several plant fuel pins. Chromium (III) oxide solubility measurements have shown that the equilibrium solid phase under hydrothermal conditions is CrOOH rather than Cr 2 O 3 . Expressions for the solubility product of this solid and the equilibrium constant for the 4. Cr (III) hydrolysis reaction Cr (OH) 3 (aq) + H 2 O = Cr (OH) 4 - + H + have been derived by fitting to the experimental solubility data in neutral to alkaline solution. The equilibrium constant for the 3rd hydrolysis reaction Cr (OH) 2 + +H 2 O = Cr (OH) 3 (aq) + H + has been revised for consistency with literature estimates of the hydrolysis constants at 298 K. There are insufficient high-quality solubility data at low pH to derive the lower hydrolysis constants so the existing MULTEQ entries, based on thermodynamic estimations, have been retained. This revised model gave reasonable agreement with the available data in acidic solution. A revised expression for the Cr 2 O 3 solubility product was derived from measurements of Fe concentrations produced from FeCr 2 O 4 dissolution, and this was used to obtain a consistent solubility product expression for FeCr 2 O 4 . The resulting model predicts that FeCr 2 O 4 would be unstable at temperatures

  15. Mathematical modeling of solute transport in the subsurface

    International Nuclear Information System (INIS)

    Naymik, T.G.

    1987-01-01

    A review of key works on solute transport models indicates that solute transport processes with the exception of advection are still poorly understood. Solute transport models generally do a good job when they are used to test scientific concepts and hypotheses, investigate natural processes, systematically store and manage data, and simulate mass balance of solutes under certain natural conditions. Solute transport models generally are not good for predicting future conditions with a high degree of certainty, or for determining concentrations precisely. The mathematical treatment of solute transport far surpasses their understanding of the process. Investigations of the extent of groundwater contamination and methods to remedy existing problems show the along-term nature of the hazard. Industrial organic compounds may be immiscible in water, highly volatile, or complexed with inorganic as well as other organic compounds; many remain stable in nature almost indefinitely. In the worst case, future disposal of hazardous waste may be restricted to deep burial, as is proposed for radioactive wastes. For investigations pertinent to transport of radionuclides from a geologic repository, the process cannot be fully understood without adequate thermodynamic and kinetic data bases

  16. Modeling of CO2 absorber using an AMP solution

    DEFF Research Database (Denmark)

    Gabrielsen, Jostein; Michelsen, Michael Locht; Stenby, Erling Halfdan

    2006-01-01

    Abstract: An explicit model for carbon dioxide (CO2) solubility in an aqueous solution of 2-amino-2-methyl-1-propanol (AMP) has been proposed and an expression for the heat of absorption of CO2 has been developed as a function of loading and temperature. A rate-based steady-state model for CO2...... to absorption of CO2 into an AMP solution in a packed tower and validated against pilot-plant data from the literature. (c) 2006 American Institute of Chemical Engineers....... absorption into an AMP solution has been proposed, using both the proposed expression for the CO2 solubility and the expression for the heat of absorption along with an expression for the enhancement factor and physicochemical data from the literature. The proposed model has successfully been applied...

  17. A molecular-thermodynamic model for polyelectrolyte solutions

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, J.; Liu, H.; Hu, Y. [Thermodynamics Research Laboratory, East China University of Science and Technology, Shanghai 200237 (China); Prausnitz, J.M. [Department of Chemical Engineering, University of California, Berkeley, and Chemical Sciences Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720 (United States)

    1998-01-01

    Polyelectrolyte solutions are modeled as freely tangent-jointed, charged hard-sphere chains and corresponding counterions in a continuum medium with permitivity {var_epsilon}. By adopting the sticky-point model, the Helmholtz function for polyelectrolyte solutions is derived through the r-particle cavity-correlation function (CCF) for chains of sticky, charged hard spheres. The r-CCF is approximated by a product of effective nearest-neighbor two-particle CCFs; these are determined from the hypernetted-chain and mean-spherical closures (HNC/MSA) inside and outside the hard core, respectively, for the integral equation theory for electrolytes. The colligative properties are given as explicit functions of a scaling parameter {Gamma} that can be estimated by a simple iteration procedure. Osmotic pressures, osmotic coefficients, and activity coefficients are calculated for model solutions with various chain lengths. They are in good agreement with molecular simulation and experimental results. {copyright} {ital 1998 American Institute of Physics.}

  18. Applicability of WaveWatch-III wave model to fatigue assessment of offshore floating structures

    NARCIS (Netherlands)

    Zou, T.; Kaminski, M.L.

    2016-01-01

    In design and operation of floating offshore structures, one has to avoid fatigue failures caused by action of ocean waves. The aim of this paper is to investigate the applicability of WaveWatch-III wave model to fatigue assessment of offshore floating structures. The applicability was investigated

  19. Global solution for a chemotactic haptotactic model of cancer invasion

    Science.gov (United States)

    Tao, Youshan; Wang, Mingjun

    2008-10-01

    This paper deals with a mathematical model of cancer invasion of tissue recently proposed by Chaplain and Lolas. The model consists of a reaction-diffusion-taxis partial differential equation (PDE) describing the evolution of tumour cell density, a reaction-diffusion PDE governing the evolution of the proteolytic enzyme concentration and an ordinary differential equation modelling the proteolysis of the extracellular matrix (ECM). In addition to random motion, the tumour cells are directed not only by haptotaxis (cellular locomotion directed in response to a concentration gradient of adhesive molecules along the ECM) but also by chemotaxis (cellular locomotion directed in response to a concentration gradient of the diffusible proteolytic enzyme). In one space dimension, the global existence and uniqueness of a classical solution to this combined chemotactic-haptotactic model is proved for any chemotactic coefficient χ > 0. In two and three space dimensions, the global existence is proved for small χ/μ (where μ is the logistic growth rate of the tumour cells). The fundamental point of proof is to raise the regularity of a solution from L1 to Lp (p > 1). Furthermore, the existence of blow-up solutions to a sub-model in two space dimensions for large χ shows, to some extent, that the condition that χ/μ is small is necessary for the global existence of a solution to the full model.

  20. DECOVALEX III PROJECT. Modelling of FEBEX In-Situ Test. Task1 Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, E.E.; Alcoverro, J. [Univ. Politecnica de Catalunya, Barcelona (Spain)] (comps.)

    2005-02-15

    Task 1 of DECOVALEX III was conceived as a benchmark exercise supported by all field and laboratory data generated during the performance of the FEBEX experiment designed to study thermo-hydro-mechanical and thermo-hydro-geochemical processes of the buffer and rock in the near field. The task was defined as a series of three successive blind prediction exercises (Parts A, B and C), which cover the behaviour of both the rock and bentonite barrier. Research teams participating in the FEBEX task were given, for each of the three parts, a set of field and laboratory data theoretically sufficient to generate a proper model and were asked to submit predictions, at given locations and time, for some of the measured variables. The merits and limitations of different modeling approaches were therefore established. The teams could perform additional calculations, once the actual 'solution' was disclosed. Final calculations represented the best approximation that a given team could provide, always within the general time constraints imposed by the General DECOVALEX III Organization. This report presents the works performed for Task 1. It contains the case definitions and evaluations of modelling results for Part A, B and C, and the overall evaluation of the works performed. The report is completed by a CD-ROM containing a set of final reports provided by the modeling teams participating in each of the three parts defined. These reports provide the necessary details to better understand the nature of the blind or final predictions included in this report. The report closes with a set of conclusions, which provides a summary of the main findings and highlights the lessons learned, some of which were summarized below. The best predictions of the water inflow into the excavated tunnel are found when the hydro geological model is properly calibrated on the basis of other known flow measurements in the same area. The particular idealization of the rock mass (equivalent

  1. DECOVALEX III PROJECT. Modelling of FEBEX In-Situ Test. Task1 Final Report

    International Nuclear Information System (INIS)

    Alonso, E.E.; Alcoverro, J.

    2005-02-01

    Task 1 of DECOVALEX III was conceived as a benchmark exercise supported by all field and laboratory data generated during the performance of the FEBEX experiment designed to study thermo-hydro-mechanical and thermo-hydro-geochemical processes of the buffer and rock in the near field. The task was defined as a series of three successive blind prediction exercises (Parts A, B and C), which cover the behaviour of both the rock and bentonite barrier. Research teams participating in the FEBEX task were given, for each of the three parts, a set of field and laboratory data theoretically sufficient to generate a proper model and were asked to submit predictions, at given locations and time, for some of the measured variables. The merits and limitations of different modeling approaches were therefore established. The teams could perform additional calculations, once the actual 'solution' was disclosed. Final calculations represented the best approximation that a given team could provide, always within the general time constraints imposed by the General DECOVALEX III Organization. This report presents the works performed for Task 1. It contains the case definitions and evaluations of modelling results for Part A, B and C, and the overall evaluation of the works performed. The report is completed by a CD-ROM containing a set of final reports provided by the modeling teams participating in each of the three parts defined. These reports provide the necessary details to better understand the nature of the blind or final predictions included in this report. The report closes with a set of conclusions, which provides a summary of the main findings and highlights the lessons learned, some of which were summarized below. The best predictions of the water inflow into the excavated tunnel are found when the hydro geological model is properly calibrated on the basis of other known flow measurements in the same area. The particular idealization of the rock mass (equivalent porous media

  2. Solute transport model for radioisotopes in layered soil

    International Nuclear Information System (INIS)

    Essel, P.

    2010-01-01

    The study considered the transport of a radioactive solute in solution from the surface of the earth down through the soil to the ground water when there is an accidental or intentional spillage of a radioactive material on the surface. The finite difference method was used to model the spatial and temporal profile of moisture content in a soil column using the θ-based Richard's equation leading to solution of the convective-dispersive equation for non-adsorbing solutes numerically. A matlab code has been generated to predict the transport of the radioactive contaminant, spilled on the surface of a vertically heterogeneous soil made up of two layers to determine the residence time of the solute in the unsaturated zone, the time it takes the contaminant to reach the groundwater and the amount of the solute entering the groundwater in various times and the levels of pollution in those times. The model predicted that, then there is a spillage of 7.2g of tritium, on the surface of the ground at the study area, it will take two years for the radionuclide to enter the groundwater and fifteen years to totally leave the unsaturated zone. There is therefore the need to try as much as possible to avoid intentional or accidental spillage of the radionuclide since it has long term effect. (au)

  3. Stability and special solutions to the conducting dusty gas model

    International Nuclear Information System (INIS)

    Calmelet, C.J.

    1987-01-01

    Models of the flow of a dusty, conducting and non-conducting gas are examined. Exact solutions for a conducting dusty gas model in the presence of a magnetic field are developed for two different flow domains. The exact solutions are calculated in the cases of negligible and non-negligible induced magnetic field. Stability theorems are developed which depend on the flow parameters of the dusty gas and the magnetic field. In particular, a universal stability theorem is obtained when the dusty gas flow is electrically conducting in the presence of an applied magnetic field, and the dust particles are non-uniformly distributed

  4. Transitions amongst synchronous solutions in the stochastic Kuramoto model

    Science.gov (United States)

    DeVille, Lee

    2012-05-01

    We consider the Kuramoto model of coupled oscillators with nearest-neighbour coupling and additive white noise. We show that synchronous solutions which are stable without the addition of noise become metastable and that we have transitions amongst synchronous solutions on long timescales. We compute these timescales and, moreover, compute the most likely path in phase space that transitions will follow. We show that these transition timescales do not increase as the number of oscillators in the system increases, and are roughly constant in the system size. Finally, we show that the transitions correspond to a splitting of one synchronous solution into two communities which move independently for some time and which rejoin to form a different synchronous solution.

  5. Dealing with Multiple Solutions in Structural Vector Autoregressive Models.

    Science.gov (United States)

    Beltz, Adriene M; Molenaar, Peter C M

    2016-01-01

    Structural vector autoregressive models (VARs) hold great potential for psychological science, particularly for time series data analysis. They capture the magnitude, direction of influence, and temporal (lagged and contemporaneous) nature of relations among variables. Unified structural equation modeling (uSEM) is an optimal structural VAR instantiation, according to large-scale simulation studies, and it is implemented within an SEM framework. However, little is known about the uniqueness of uSEM results. Thus, the goal of this study was to investigate whether multiple solutions result from uSEM analysis and, if so, to demonstrate ways to select an optimal solution. This was accomplished with two simulated data sets, an empirical data set concerning children's dyadic play, and modifications to the group iterative multiple model estimation (GIMME) program, which implements uSEMs with group- and individual-level relations in a data-driven manner. Results revealed multiple solutions when there were large contemporaneous relations among variables. Results also verified several ways to select the correct solution when the complete solution set was generated, such as the use of cross-validation, maximum standardized residuals, and information criteria. This work has immediate and direct implications for the analysis of time series data and for the inferences drawn from those data concerning human behavior.

  6. Coupling between solute transport and chemical reactions models

    International Nuclear Information System (INIS)

    Samper, J.; Ajora, C.

    1993-01-01

    During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs

  7. Air quality and climate change, Topic 3 of the Model Inter-Comparison Study for Asia Phase III (MICS-Asia III) - Part 1: Overview and model evaluation

    Science.gov (United States)

    Gao, Meng; Han, Zhiwei; Liu, Zirui; Li, Meng; Xin, Jinyuan; Tao, Zhining; Li, Jiawei; Kang, Jeong-Eon; Huang, Kan; Dong, Xinyi; Zhuang, Bingliang; Li, Shu; Ge, Baozhu; Wu, Qizhong; Cheng, Yafang; Wang, Yuesi; Lee, Hyo-Jung; Kim, Cheol-Hee; Fu, Joshua S.; Wang, Tijian; Chin, Mian; Woo, Jung-Hun; Zhang, Qiang; Wang, Zifa; Carmichael, Gregory R.

    2018-04-01

    Topic 3 of the Model Inter-Comparison Study for Asia (MICS-Asia) Phase III examines how online coupled air quality models perform in simulating high aerosol pollution in the North China Plain region during wintertime haze events and evaluates the importance of aerosol radiative and microphysical feedbacks. A comprehensive overview of the MICS-Asia III Topic 3 study design, including descriptions of participating models and model inputs, the experimental designs, and results of model evaluation, are presented. Six modeling groups from China, Korea and the United States submitted results from seven applications of online coupled chemistry-meteorology models. Results are compared to meteorology and air quality measurements, including data from the Campaign on Atmospheric Aerosol Research Network of China (CARE-China) and the Acid Deposition Monitoring Network in East Asia (EANET). The correlation coefficients between the multi-model ensemble mean and the CARE-China observed near-surface air pollutants range from 0.51 to 0.94 (0.51 for ozone and 0.94 for PM2.5) for January 2010. However, large discrepancies exist between simulated aerosol chemical compositions from different models. The coefficient of variation (SD divided by the mean) can reach above 1.3 for sulfate in Beijing and above 1.6 for nitrate and organic aerosols in coastal regions, indicating that these compositions are less consistent from different models. During clean periods, simulated aerosol optical depths (AODs) from different models are similar, but peak values differ during severe haze events, which can be explained by the differences in simulated inorganic aerosol concentrations and the hygroscopic growth efficiency (affected by varied relative humidity). These differences in composition and AOD suggest that future models can be improved by including new heterogeneous or aqueous pathways for sulfate and nitrate formation under hazy conditions, a secondary organic aerosol (SOA) formation chemical

  8. Transferable tight binding model for strained group IV and III-V heterostructures

    Science.gov (United States)

    Tan, Yaohua; Povolotskyi, Micheal; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard

    Modern semiconductor devices have reached critical device dimensions in the range of several nanometers. For reliable prediction of device performance, it is critical to have a numerical efficient model that are transferable to material interfaces. In this work, we present an empirical tight binding (ETB) model with transferable parameters for strained IV and III-V group semiconductors. The ETB model is numerically highly efficient as it make use of an orthogonal sp3d5s* basis set with nearest neighbor inter-atomic interactions. The ETB parameters are generated from HSE06 hybrid functional calculations. Band structures of strained group IV and III-V materials by ETB model are in good agreement with corresponding HSE06 calculations. Furthermore, the ETB model is applied to strained superlattices which consist of group IV and III-V elements. The ETB model turns out to be transferable to nano-scale hetero-structure. The ETB band structures agree with the corresponding HSE06 results in the whole Brillouin zone. The ETB band gaps of superlattices with common cations or common anions have discrepancies within 0.05eV.

  9. Stability of subsystem solutions in agent-based models

    Science.gov (United States)

    Perc, Matjaž

    2018-01-01

    The fact that relatively simple entities, such as particles or neurons, or even ants or bees or humans, give rise to fascinatingly complex behaviour when interacting in large numbers is the hallmark of complex systems science. Agent-based models are frequently employed for modelling and obtaining a predictive understanding of complex systems. Since the sheer number of equations that describe the behaviour of an entire agent-based model often makes it impossible to solve such models exactly, Monte Carlo simulation methods must be used for the analysis. However, unlike pairwise interactions among particles that typically govern solid-state physics systems, interactions among agents that describe systems in biology, sociology or the humanities often involve group interactions, and they also involve a larger number of possible states even for the most simplified description of reality. This begets the question: when can we be certain that an observed simulation outcome of an agent-based model is actually stable and valid in the large system-size limit? The latter is key for the correct determination of phase transitions between different stable solutions, and for the understanding of the underlying microscopic processes that led to these phase transitions. We show that a satisfactory answer can only be obtained by means of a complete stability analysis of subsystem solutions. A subsystem solution can be formed by any subset of all possible agent states. The winner between two subsystem solutions can be determined by the average moving direction of the invasion front that separates them, yet it is crucial that the competing subsystem solutions are characterised by a proper composition and spatiotemporal structure before the competition starts. We use the spatial public goods game with diverse tolerance as an example, but the approach has relevance for a wide variety of agent-based models.

  10. Characterization of HMPA-Coordinated Titanium(III) Species in Solutions of Zinc-Reduced Titanocene Dihalides

    DEFF Research Database (Denmark)

    Larsen, Jens; Juel Enemærke, Rasmus; Daasbjerg, Kim

    2006-01-01

    of mainly Cp2Ti(hmpa)+, Cp2Ti(hmpa)2+, and Cp2TiX(hmpa) with an increase in the amount of ionic constituents as X is changed from Cl to Br and I. The oxidation potentials of all HMPA-coordinated TiIII species are more negative than those of the uncoordinated analogues, but nevertheless an inverse...

  11. LED-based Photometric Stereo: Modeling, Calibration and Numerical Solutions

    DEFF Research Database (Denmark)

    Quéau, Yvain; Durix, Bastien; Wu, Tao

    2018-01-01

    We conduct a thorough study of photometric stereo under nearby point light source illumination, from modeling to numerical solution, through calibration. In the classical formulation of photometric stereo, the luminous fluxes are assumed to be directional, which is very difficult to achieve in pr...

  12. The mathematical models of solution mining and case study

    International Nuclear Information System (INIS)

    Jacobson, R.H.; Waskovsky, J.; Wang Xiwen; Wang Haifeng

    1991-01-01

    The mathematical model of parameters which describe solution mining and the principle of ore leaching are presented theoretically and thoroughly with the emphasis on in-situ leaching with a biolixiviant, furthermore, the example of bioleach mining, or biomining, in an abandoned underground copper mine is discussed

  13. Approximate Solutions of Interactive Dynamic Influence Diagrams Using Model Clustering

    DEFF Research Database (Denmark)

    Zeng, Yifeng; Doshi, Prashant; Qiongyu, Cheng

    2007-01-01

    Interactive dynamic influence diagrams (I-DIDs) offer a transparent and semantically clear representation for the sequential decision-making problem over multiple time steps in the presence of other interacting agents. Solving I-DIDs exactly involves knowing the solutions of possible models...

  14. Stationary solutions of multicomponent chiral and gauge models

    International Nuclear Information System (INIS)

    Chudnovsky, D.V.; Chudnovsky, G.V.

    1979-01-01

    The authors examine stationary solutions of completely integrable systems in (x, t) dimensions having infinitely many components. Among the cases under investigation are: (1) the infinite-component non-linear Schroedinger equation; (2) infinite component CPsup(Ω) or SU(N) sigma-models; (3) general gauge and chiral completely integrable systems. (Auth.)

  15. Foam for Enhanced Oil Recovery : Modeling and Analytical Solutions

    NARCIS (Netherlands)

    Ashoori, E.

    2012-01-01

    Foam increases sweep in miscible- and immiscible-gas enhanced oil recovery by decreasing the mobility of gas enormously. This thesis is concerned with the simulations and analytical solutions for foam flow for the purpose of modeling foam EOR in a reservoir. For the ultimate goal of upscaling our

  16. Interpolation solution of the single-impurity Anderson model

    International Nuclear Information System (INIS)

    Kuzemsky, A.L.

    1990-10-01

    The dynamical properties of the single-impurity Anderson model (SIAM) is studied using a novel Irreducible Green's Function method (IGF). The new solution for one-particle GF interpolating between the strong and weak correlation limits is obtained. The unified concept of relevant mean-field renormalizations is indispensable for strong correlation limit. (author). 21 refs

  17. Analysis and modeling of alkali halide aqueous solutions

    DEFF Research Database (Denmark)

    Kim, Sun Hyung; Anantpinijwatna, Amata; Kang, Jeong Won

    2016-01-01

    on calculations for various electrolyte properties of alkali halide aqueous solutions such as mean ionic activity coefficients, osmotic coefficients, and salt solubilities. The model covers highly nonideal electrolyte systems such as lithium chloride, lithium bromide and lithium iodide, that is, systems...

  18. Orbifolds and Exact Solutions of Strongly-Coupled Matrix Models

    Science.gov (United States)

    Córdova, Clay; Heidenreich, Ben; Popolitov, Alexandr; Shakirov, Shamil

    2018-02-01

    We find an exact solution to strongly-coupled matrix models with a single-trace monomial potential. Our solution yields closed form expressions for the partition function as well as averages of Schur functions. The results are fully factorized into a product of terms linear in the rank of the matrix and the parameters of the model. We extend our formulas to include both logarithmic and finite-difference deformations, thereby generalizing the celebrated Selberg and Kadell integrals. We conjecture a formula for correlators of two Schur functions in these models, and explain how our results follow from a general orbifold-like procedure that can be applied to any one-matrix model with a single-trace potential.

  19. Curved-space classical solutions of a massive supermatrix model

    International Nuclear Information System (INIS)

    Azuma, Takehiro; Bagnoud, Maxime

    2003-01-01

    We investigate here a supermatrix model with a mass term and a cubic interaction. It is based on the super Lie algebra osp(1 vertical bar 32,R), which could play a role in the construction of the eleven-dimensional M-theory. This model contains a massive version of the IIB matrix model, where some fields have a tachyonic mass term. Therefore, the trivial vacuum of this theory is unstable. However, this model possesses several classical solutions where these fields build noncommutative curved spaces and these solutions are shown to be energetically more favorable than the trivial vacuum. In particular, we describe in details two cases, the SO(3)xSO(3)xSO(3) (three fuzzy 2-spheres) and the SO(9) (fuzzy 8-sphere) classical backgrounds

  20. Quantum decay model with exact explicit analytical solution

    Science.gov (United States)

    Marchewka, Avi; Granot, Er'El

    2009-01-01

    A simple decay model is introduced. The model comprises a point potential well, which experiences an abrupt change. Due to the temporal variation, the initial quantum state can either escape from the well or stay localized as a new bound state. The model allows for an exact analytical solution while having the necessary features of a decay process. The results show that the decay is never exponential, as classical dynamics predicts. Moreover, at short times the decay has a fractional power law, which differs from perturbation quantum method predictions. At long times the decay includes oscillations with an envelope that decays algebraically. This is a model where the final state can be either continuous or localized, and that has an exact analytical solution.

  1. Novel Schiff base (DBDDP) selective detection of Fe (III): Dispersed in aqueous solution and encapsulated in silica cross-linked micellar nanoparticles in living cell.

    Science.gov (United States)

    Gai, Fangyuan; Yin, Li; Fan, Mengmeng; Li, Ling; Grahn, Johnny; Ao, Yuhui; Yang, Xudong; Wu, Xuming; Liu, Yunling; Huo, Qisheng

    2018-03-15

    This work demonstrated the synthesis of (4E)-4-(4-(diphenylamino)benzylideneamino)-1,2-dihydro-1,5- dimethyl-2-phenylpyrazol-3-one (DBDDP) for Fe (III) detection in aqueous media and in the core of silica cross-linked micellar nanoparticles in living cells. The free DBDDP performed fluorescence enhancement due to Fe (III)-promoted hydrolysis in a mixed aqueous solution, while the DBDDP-doped silica cross-linked micellar nanoparticles (DBDDP-SCMNPs) performed an electron-transfer based fluorescence quenching of Fe (III) in living cells. The quenching fluorescence of DBDDP-SCMNPs and the concentration of Fe (III) exhibited a linear correlation, which was in accordance with the Stern-Volmer equation. Moreover, DBDDP-SCMNPs showed a low limit of detection (LOD) of 0.1 ppm and an excellent selectivity against other metal ions. Due to the good solubility and biocompatibility, DBDDP-SCMNPs could be applied as fluorescence quenching nanosensors in living cells. Copyright © 2017 Elsevier Inc. All rights reserved.

  2. Liquid-liquid extraction/separation of platinum(IV) and rhodium(III) from acidic chloride solutions using tri-iso-octylamine

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jin-Young, E-mail: jinlee@kigam.re.kr [Metals Recovery Department, Minerals Resources Research Division, Korea Institute of Geoscience and Mineral Resources (KIGAM), 92 Gahangno, Yuesong-gu, Daejeon 305-350 (Korea, Republic of); Rajesh Kumar, J., E-mail: rajeshkumarphd@rediffmail.com [Metals Recovery Department, Minerals Resources Research Division, Korea Institute of Geoscience and Mineral Resources (KIGAM), 92 Gahangno, Yuesong-gu, Daejeon 305-350 (Korea, Republic of); Kim, Joon-Soo; Park, Hyung-Kyu; Yoon, Ho-Sung [Metals Recovery Department, Minerals Resources Research Division, Korea Institute of Geoscience and Mineral Resources (KIGAM), 92 Gahangno, Yuesong-gu, Daejeon 305-350 (Korea, Republic of)

    2009-08-30

    Liquid-liquid extraction/separation of platinum(IV) and rhodium(III) from acidic chloride solutions was carried out using tri-iso-octylamine (Alamine 308) as an extractant diluted in kerosene. The percentage extraction of platinum(IV) and rhodium(III) increased with increase in acid concentration up to 8 mol L{sup -1}. However, at 10 mol L{sup -1} HCl concentration, the extraction behavior was reversed, indicating the solvation type mechanism during extraction. The quantitative extraction of {approx}98% platinum(IV) and 36% rhodium(III) was achieved with 0.01 mol L{sup -1} Alamine 308. The highest separation factor (S.F. = 184.7) of platinum(IV) and rhodium(III) was achieved with 0.01 mol L{sup -1} Alamine 308 at 1.0 mol L{sup -1} of hydrochloric acid concentration. Alkaline metal salts like sodium chloride, sodium nitrate, sodium thiocyanate, lithium chloride, lithium nitrate, potassium chloride and potassium thiocyanate used for the salting-out effect. LiCl proved as best salt for the extraction of platinum(IV). Temperature effect demonstrates that the extraction process is exothermic. Hydrochloric acid and thiourea mixture proved to be better stripping reagents when compared with other mineral acids and bases.

  3. Small-scale engagement model with arrivals: analytical solutions

    International Nuclear Information System (INIS)

    Engi, D.

    1977-04-01

    This report presents an analytical model of small-scale battles. The specific impetus for this effort was provided by a need to characterize hypothetical battles between guards at a nuclear facility and their potential adversaries. The solution procedure can be used to find measures of a number of critical parameters; for example, the win probabilities and the expected duration of the battle. Numerical solutions are obtainable if the total number of individual combatants on the opposing sides is less than 10. For smaller force size battles, with one or two combatants on each side, symbolic solutions can be found. The symbolic solutions express the output parameters abstractly in terms of symbolic representations of the input parameters while the numerical solutions are expressed as numerical values. The input parameters are derived from the probability distributions of the attrition and arrival processes. The solution procedure reduces to solving sets of linear equations that have been constructed from the input parameters. The approach presented in this report does not address the problems associated with measuring the inputs. Rather, this report attempts to establish a relatively simple structure within which small-scale battles can be studied

  4. Solution of the strong CP problem in models with scalars

    International Nuclear Information System (INIS)

    Dimopoulos, S.

    1978-01-01

    A possible solution to the strong CP problem is pointed out within the context of a Weinberg--Salam model with two Higgs fields coupled in a Peccei--Quinn symmetric fashion. This is done by extending the colour group to a bigger simple group which is broken at some very high energy. The model contains a heavy axion. No old or new U(1) problem re-emerges. 31 references

  5. Zebrabase: An intuitive tracking solution for aquatic model organisms

    OpenAIRE

    Oltova, Jana; Bartunek, Petr; Machonova, Olga; Svoboda, Ondrej; Skuta, Ctibor; Jindrich, Jindrich

    2018-01-01

    Small fish species, like zebrafish or medaka, are constantly gaining popularity in basic research and disease modeling as a useful alternative to rodent model organisms. However, the tracking options for fish within a facility are rather limited. Here, we present an aquatic species tracking database, Zebrabase, developed in our zebrafish research and breeding facility that represents a practical and scalable solution and an intuitive platform for scientists, fish managers and caretakers, in b...

  6. Numerical solution of dynamic equilibrium models under Poisson uncertainty

    DEFF Research Database (Denmark)

    Posch, Olaf; Trimborn, Timo

    2013-01-01

    We propose a simple and powerful numerical algorithm to compute the transition process in continuous-time dynamic equilibrium models with rare events. In this paper we transform the dynamic system of stochastic differential equations into a system of functional differential equations of the retar...... solution to Lucas' endogenous growth model under Poisson uncertainty are used to compute the exact numerical error. We show how (potential) catastrophic events such as rare natural disasters substantially affect the economic decisions of households....

  7. Analytic solution of the Starobinsky model for inflation

    Energy Technology Data Exchange (ETDEWEB)

    Paliathanasis, Andronikos [Universidad Austral de Chile, Instituto de Ciencias Fisicas y Matematicas, Valdivia (Chile); Durban University of Technology, Institute of Systems Science, Durban (South Africa)

    2017-07-15

    We prove that the field equations of the Starobinsky model for inflation in a Friedmann-Lemaitre-Robertson-Walker metric constitute an integrable system. The analytical solution in terms of a Painleve series for the Starobinsky model is presented for the case of zero and nonzero spatial curvature. In both cases the leading-order term describes the radiation era provided by the corresponding higher-order theory. (orig.)

  8. Similarity solutions for systems arising from an Aedes aegypti model

    Science.gov (United States)

    Freire, Igor Leite; Torrisi, Mariano

    2014-04-01

    In a recent paper a new model for the Aedes aegypti mosquito dispersal dynamics was proposed and its Lie point symmetries were investigated. According to the carried group classification, the maximal symmetry Lie algebra of the nonlinear cases is reached whenever the advection term vanishes. In this work we analyze the family of systems obtained when the wind effects on the proposed model are neglected. Wide new classes of solutions to the systems under consideration are obtained.

  9. Regulatory activity based risk model identifies survival of stage II and III colorectal carcinoma.

    Science.gov (United States)

    Liu, Gang; Dong, Chuanpeng; Wang, Xing; Hou, Guojun; Zheng, Yu; Xu, Huilin; Zhan, Xiaohui; Liu, Lei

    2017-11-17

    Clinical and pathological indicators are inadequate for prognosis of stage II and III colorectal carcinoma (CRC). In this study, we utilized the activity of regulatory factors, univariate Cox regression and random forest for variable selection and developed a multivariate Cox model to predict the overall survival of Stage II/III colorectal carcinoma in GSE39582 datasets (469 samples). Patients in low-risk group showed a significant longer overall survival and recurrence-free survival time than those in high-risk group. This finding was further validated in five other independent datasets (GSE14333, GSE17536, GSE17537, GSE33113, and GSE37892). Besides, associations between clinicopathological information and risk score were analyzed. A nomogram including risk score was plotted to facilitate the utilization of risk score. The risk score model is also demonstrated to be effective on predicting both overall and recurrence-free survival of chemotherapy received patients. After performing Gene Set Enrichment Analysis (GSEA) between high and low risk groups, we found that several cell-cell interaction KEGG pathways were identified. Funnel plot results showed that there was no publication bias in these datasets. In summary, by utilizing the regulatory activity in stage II and III colorectal carcinoma, the risk score successfully predicts the survival of 1021 stage II/III CRC patients in six independent datasets.

  10. Forecasting craniofacial growth in individuals with class III malocclusion by computational modelling.

    Science.gov (United States)

    Auconi, Pietro; Scazzocchio, Marco; Defraia, Efisio; McNamara, James A; Franchi, Lorenzo

    2014-04-01

    To develop a mathematical model that adequately represented the pattern of craniofacial growth in class III subject consistently, with the goal of using this information to make growth predictions that could be amenable to longitudinal verification and clinical use. A combination of computational techniques (i.e. Fuzzy clustering and Network analysis) was applied to cephalometric data derived from 429 untreated growing female patients with class III malocclusion to visualize craniofacial growth dynamics and correlations. Four age groups of subjects were examined individually: from 7 to 9 years of age, from 10 to 12 years, from 13 to 14 years, and from 15 to 17 years. The connections between pathway components of class III craniofacial growth can be visualized from Network profiles. Fuzzy clustering analysis was able to define further growth patterns and coherences of the traditionally reported dentoskeletal characteristics of this structural imbalance. Craniofacial growth can be visualized as a biological, space-constraint-based optimization process; the prediction of individual growth trajectories depends on the rate of membership to a specific 'winner' cluster, i.e. on a specific individual growth strategy. The reliability of the information thus gained was tested to forecast craniofacial growth of 28 untreated female class III subjects followed longitudinally. The combination of Fuzzy clustering and Network algorithms allowed the development of principles for combining multiple auxological cephalometric features into a joint global model and to predict the individual risk of the facial pattern imbalance during growth.

  11. Simulation model for wind energy storage systems. Volume III. Program descriptions. [SIMWEST CODE

    Energy Technology Data Exchange (ETDEWEB)

    Warren, A.W.; Edsinger, R.W.; Burroughs, J.D.

    1977-08-01

    The effort developed a comprehensive computer program for the modeling of wind energy/storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel and pneumatic). An acronym for the program is SIMWEST (Simulation Model for Wind Energy Storage). The level of detail of SIMWEST is consistent with a role of evaluating the economic feasibility as well as the general performance of wind energy systems. The software package consists of two basic programs and a library of system, environmental, and load components. Volume III, the SIMWEST program description contains program descriptions, flow charts and program listings for the SIMWEST Model Generation Program, the Simulation program, the File Maintenance program and the Printer Plotter program. Volume III generally would not be required by SIMWEST user.

  12. Study of the selectivity of poly-nitrogenous extracting molecules in the complexation of actinides (III) and lanthanides (III) in solution in anhydrous pyridine; Etude de la selectivite de molecules extractantes polyazotees dans la complexation des actinides (III) et des lanthanides (III) en solution dans la pyridine anhydre

    Energy Technology Data Exchange (ETDEWEB)

    Riviere, Ch

    2000-10-05

    The aim of this work is to better understand the factors which contribute to the separation of lanthanides(III) and actinides(III). Polydentate nitrogenous molecules present an interesting selectivity. A thermodynamic study of the complexation in pyridine of lanthanide and uranium by the bipyridine ligand (bipy) has been carried out. The formation constants and the thermodynamic values of the different complexes have been determined. It has been shown that the bipy complexes formation is controlled by the enthalpy and unfavored by the entropy. The conductometry has revealed too a significant difference in the uranium and lanthanides complexation by the bipyridine ligand. The use of the phenanthroline ligand induces a better complexation of the metallic ions but the selectivity is not improved. On the other hand, the decrease of the basicity and the increase of the ligand denticity (for instance in the case of the use of ter-pyridine) favour the selectivity without improving the complexation. The selectivity difference for the complexation of actinides(III) and lanthanides(III) by the different studied ligands (independent systems) has been confirmed by experiments of inter-metals competition. (O.M.)

  13. Solubility behaviour of antimony(III) and antimony(V) solids in basic aqueous solutions at 300{sup o}C

    Energy Technology Data Exchange (ETDEWEB)

    Lemire, R.J.; Tosello, N.B.; Halliday, J.D

    1999-12-01

    The major contributions of the isotopes {sup 122}Sb and {sup 124}Sb to activity transport in a CANDU reactor primary heat transport system (HTS), have been associated with oxygen ingress during reactor shutdown. As part of a program to minimize the release and redeposition of these isotopes, the solubilities of antimony(III) and (V) oxides and salts have been measured in basic solutions at temperatures from 25 to 300{sup o}C. The results provide information on the charge and the stability as a function of temperature of antimony solution species and, hence, a guide to the trends in the temperature dependence of the solubilities of antimony solids. In solutions in which oxidation of antimony(III) to antimony(V) is minimized, the solubility of Sb{sub 2}O{sub 3} increases by about two orders of magnitude between 25 and 200{sup o}C, and then levels out or decreases slightly. At 250{sup o}C, in oxidizing solutions, Sb{sub 2}O{sub 5}{center_dot}xH{sub 2}O and simple sodium antimonate(V) were found to be unstable in sodium hydroxide solutions with respect to the solid, Na{sub 2{alpha}}[H(H{sub 2}O)]{sub 2-2{alpha}}Sb{sub 2}O{sub 6}, which has a pyrochlore structure. The solubility of this partially protonated sodium antimonate increases from 25 to 200{sup o}C and decreases at temperatures above 250{sup o}C. These solubility changes for the antimony (V) solids reflect changes in the stability of the anionic antimony solution species (SbO{sub 3}{sup -} or Sb(OH){sub 6}{sup -}), even though the compositions of antimony-containing solids in basic oxidizing solutions are strongly dependent on the cations and their aqueous phase concentrations. All solids used in the present experiments would be expected to generate total solution antimony concentrations {>=} 0.00005 mol{center_dot}dm{sup -3} in any neutral or basic aqueous solutions (assuming no added sodium salts). Therefore, under HTS conditions, precipitation of any antimony oxides or mixed oxides is unlikely. It cannot be

  14. Phytotoxicity of thallium (Tl) in culture solution. Pt. 2. Effects of Tl(III) on the growth and heavy metal contents of pea and field bean plants

    Energy Technology Data Exchange (ETDEWEB)

    Pieper, B; Austenfeld, F A

    1985-01-01

    The effects of Tl(NO/sub 3/)/sub 3/ and Tl(III)EDTA on growth and heavy metal contents of pea plants and field bean plants were compared in hydroponic culture experiments. In the presence of Tl(NO/sub 3/)/sub 3/, the essential heavy metals were available to the plants in their ionic forms. When Tl(III)EDTA was present the essential heavy metals were available as chelated complexes. Dry matter production of the pea plants was inhibited to a greater extent by Tl(III)EDTA than by Tl(NO/sub 3/)/sub 3/. The distribution of Tl within the plant was unaffected by the accompanying anion, however an increase of the Tl content of the stems and the leaves was observed in the presence of Tl(III)EDTA. The micronutrients exhibited different interactions with Tl(III). In the presence of increasing concentrations of Tl(NO/sub 3/)/sub 3/ the Mn content of each organ and the Zn content of the roots were lowered, but the Zn content of the stems was increased. Increasing concentrations of Tl(III)EDTA resulted only in a decrease of the Mn content of the roots, but in an increase of the contents of Fe and Mn within the stems, and Fe, Mn, Zn, and Cu within the leaves. The increases may be due to concentration by growth inhibition. In contrast to pea plants, growth of field bean plants was inhibited only by Tl(NO/sub 3/)/sub 3/. The field bean plants retained most of the Tl within the roots independent of the Tl compound in the solution. Chelation of Tl(III) resulted in higher Tl contents of both the roots and the stems, but equal or reduced Tl contents of the leaves. Whereas increasing concentrations of Tl(NO/sub 3/)/sub 3/ reduced the Mn content of each organ as well as the Zn content of the roots and the leaves, Tl(III)EDTA only reduced the Mn content of the roots.

  15. Time-dependent density functional theory/discrete reaction field spectra of open shell systems : The visual spectrum of [Fe-III(PyPepS)(2)](-) in aqueous solution

    NARCIS (Netherlands)

    van Duijnen, Piet Th.; Greene, Shannon N.; Richards, Nigel G. J.

    2007-01-01

    We report the calculated visible spectrum of [Fe-III(PyPepS)(2)](-) in aqueous solution. From all-classical molecular dynamics simulations on the solute and 200 water molecules with a polarizable force field, 25 solute/solvent configurations were chosen at random from a 50 ps production run and

  16. The secret to successful solute-transport modeling

    Science.gov (United States)

    Konikow, Leonard F.

    2011-01-01

    Modeling subsurface solute transport is difficult—more so than modeling heads and flows. The classical governing equation does not always adequately represent what we see at the field scale. In such cases, commonly used numerical models are solving the wrong equation. Also, the transport equation is hyperbolic where advection is dominant, and parabolic where hydrodynamic dispersion is dominant. No single numerical method works well for all conditions, and for any given complex field problem, where seepage velocity is highly variable, no one method will be optimal everywhere. Although we normally expect a numerically accurate solution to the governing groundwater-flow equation, errors in concentrations from numerical dispersion and/or oscillations may be large in some cases. The accuracy and efficiency of the numerical solution to the solute-transport equation are more sensitive to the numerical method chosen than for typical groundwater-flow problems. However, numerical errors can be kept within acceptable limits if sufficient computational effort is expended. But impractically long

  17. Spectroscopy and Speciation Studies on the Interactions of Aluminum (III with Ciprofloxacin and β-Nicotinamide Adenine Dinucleotide Phosphate in Aqueous Solutions

    Directory of Open Access Journals (Sweden)

    Xiaodi Yang

    2012-08-01

    Full Text Available In this study, both experimental and theoretical approaches, including absorption spectra, fluorescence emission spectra, 1H- and 31P-NMR, electrospray ionization mass spectrometry (ESI-MS, pH-potentiometry and theoretical approaches using the BEST & SPE computer programs were applied to study the competitive complexation between ciprofloxacin (CIP and b-nicotinamide adenine dinucleotide phosphate (NADP with aluminum (III in aqueous solutions. Rank annihilation factor analysis (RAFA was used to analyze the absorption and fluorescence emission spectra of the ligands, the binary complexes and the ternary complexes. It is found, at the mM total concentration level and pH = 7.0, the bidentate mononuclear species [Al(CIP]2+ and [Al(NADP] predominate in the aqueous solutions of the Al(III-CIP and Al(III-NADP systems, and the two complexes have similar conditional stability constants. However, the pH-potentiometry results show at the mM total concentration level and pH = 7.0, the ternary species [Al(CIP(HNADP] predominates in the ternary complex system. Comparing predicted NMR spectra with the experimental NMR results, it can be concluded that for the ternary complex, CIP binds to aluminum ion between the 3-carboxylic and 4-carbonyl groups, while the binding site of oxidized coenzyme II is through the oxygen of phosphate, which is linked to adenosine ribose, instead of pyrophosphate. The results also suggested CIP has the potential to be a probe molecular for the detection of NADP and the Al(III-NADP complexes under physiological condition.

  18. Solution to a fuel-and-cladding rewetting model

    International Nuclear Information System (INIS)

    Olek, S.

    1989-06-01

    A solution by the Wiener-Hopf technique is derived for a model for the rewetting of a nuclear fuel rod. The gap between the fuel and the cladding is modelled by an imperfect contact between the two. A constant heat transfer coefficient is assumed on the wet side, whereas the dry side is assumed to be adiabatic. The solution for the rewetting temperature is in the form of an integral whose integrand contains the model parameters, including the rewetting velocity. Numerical results are presented for a large number of these parameters. It is shown that there are such large values of the rewetting temperature and the gap resistance, or such low values of the initial wall temperature, for which the rewetting velocity is unaffected by the fuel properties. (author) l fig., 7 tabs., 17 refs

  19. Brane solutions of a spherical sigma model in six dimensions

    International Nuclear Information System (INIS)

    Lee, Hyun Min; Papazoglou, Antonios

    2005-01-01

    We explore solutions of six-dimensional gravity coupled to a non-linear sigma model, in the presence of codimension-two branes. We investigate the compactifications induced by a spherical scalar manifold and analyze the conditions under which they are of finite volume and singularity free. We discuss the issue of single-valuedness of the scalar fields and provide some special embedding of the scalar manifold to the internal space which solves this problem. These brane solutions furnish some self-tuning features, however they do not provide a satisfactory explanation of the vanishing of the effective four-dimensional cosmological constant. We discuss the properties of this model in relation with the self-tuning example based on a hyperbolic sigma model

  20. Model-based dispersive wave processing: A recursive Bayesian solution

    International Nuclear Information System (INIS)

    Candy, J.V.; Chambers, D.H.

    1999-01-01

    Wave propagation through dispersive media represents a significant problem in many acoustic applications, especially in ocean acoustics, seismology, and nondestructive evaluation. In this paper we propose a propagation model that can easily represent many classes of dispersive waves and proceed to develop the model-based solution to the wave processing problem. It is shown that the underlying wave system is nonlinear and time-variable requiring a recursive processor. Thus the general solution to the model-based dispersive wave enhancement problem is developed using a Bayesian maximum a posteriori (MAP) approach and shown to lead to the recursive, nonlinear extended Kalman filter (EKF) processor. The problem of internal wave estimation is cast within this framework. The specific processor is developed and applied to data synthesized by a sophisticated simulator demonstrating the feasibility of this approach. copyright 1999 Acoustical Society of America.

  1. Modeling the Quiet Time Outflow Solution in the Polar Cap

    Science.gov (United States)

    Glocer, Alex

    2011-01-01

    We use the Polar Wind Outflow Model (PWOM) to study the geomagnetically quiet conditions in the polar cap during solar maximum, The PWOM solves the gyrotropic transport equations for O(+), H(+), and He(+) along several magnetic field lines in the polar region in order to reconstruct the full 3D solution. We directly compare our simulation results to the data based empirical model of Kitamura et al. [2011] of electron density, which is based on 63 months of Akebono satellite observations. The modeled ion and electron temperatures are also compared with a statistical compilation of quiet time data obtained by the EISCAT Svalbard Radar (ESR) and Intercosmos Satellites (Kitamura et al. [2011]). The data and model agree reasonably well. This study shows that photoelectrons play an important role in explaining the differences between sunlit and dark results, ion composition, as well as ion and electron temperatures of the quiet time polar wind solution. Moreover, these results provide validation of the PWOM's ability to model the quiet time ((background" solution.

  2. Travelling Wave Solutions in Multigroup Age-Structured Epidemic Models

    Science.gov (United States)

    Ducrot, Arnaut; Magal, Pierre; Ruan, Shigui

    2010-01-01

    Age-structured epidemic models have been used to describe either the age of individuals or the age of infection of certain diseases and to determine how these characteristics affect the outcomes and consequences of epidemiological processes. Most results on age-structured epidemic models focus on the existence, uniqueness, and convergence to disease equilibria of solutions. In this paper we investigate the existence of travelling wave solutions in a deterministic age-structured model describing the circulation of a disease within a population of multigroups. Individuals of each group are able to move with a random walk which is modelled by the classical Fickian diffusion and are classified into two subclasses, susceptible and infective. A susceptible individual in a given group can be crisscross infected by direct contact with infective individuals of possibly any group. This process of transmission can depend upon the age of the disease of infected individuals. The goal of this paper is to provide sufficient conditions that ensure the existence of travelling wave solutions for the age-structured epidemic model. The case of two population groups is numerically investigated which applies to the crisscross transmission of feline immunodeficiency virus (FIV) and some sexual transmission diseases.

  3. Mesoscale modeling of solute precipitation and radiation damage

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Schwen, Daniel [Idaho National Lab. (INL), Idaho Falls, ID (United States); Ke, Huibin [Idaho National Lab. (INL), Idaho Falls, ID (United States); Univ. of Wisconsin, Madison, WI (United States); Bai, Xianming [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hales, Jason [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    This report summarizes the low length scale effort during FY 2014 in developing mesoscale capabilities for microstructure evolution in reactor pressure vessels. During operation, reactor pressure vessels are subject to hardening and embrittlement caused by irradiation-induced defect accumulation and irradiation-enhanced solute precipitation. Both defect production and solute precipitation start from the atomic scale, and manifest their eventual effects as degradation in engineering-scale properties. To predict the property degradation, multiscale modeling and simulation are needed to deal with the microstructure evolution, and to link the microstructure feature to material properties. In this report, the development of mesoscale capabilities for defect accumulation and solute precipitation are summarized. Atomic-scale efforts that supply information for the mesoscale capabilities are also included.

  4. Reactivity of the uranium (U(IV)/U(VI)) and the plutonium (Pu(III)/Pu(IV)) in nitric aqueous solution under ultrasound

    International Nuclear Information System (INIS)

    Venault, L.

    1998-01-01

    To minimize the volumes of solid waste and industrial effluents generated at the end of cycle, particularly in the spent nuclear fuel reprocessing industry, research is currently under way on so-called innovative processes, designed to induce chemical reactions without adding reagent to the media. Among these processes, the use of ultrasound can prove advantageous, and the purpose of this study is to assess accurately the potential for its application. In the present context, this work shows that the transmission of an ultrasonic wave in aqueous nitric acid solution leads to: the accumulation of nitrous acid in solution, until a steady-sate concentration is reached; the removal of nitrogen monoxide and nitrogen dioxide in the gas stream. The initial kinetics of the formation of HNO 2 in solution was quantified as a function of the nitric acid concentration and the ultrasound intensity. It was also shown than an excess of nitrous acid in nitric solution decomposes under the effect of ultrasound. It is also possible to accumulate hydrogen peroxide in solution during the ultrasonic irradiation of aqueous nitric acid solutions in the presence of a chemical species N 2 H 5 + , NH 2 SO 3 H...) which reacts rapidly with HNO 2 , preventing the reduction of H 2 O 2 by HNO 2 . The mechanisms of HNO 2 formation and decomposition, and the mechanism of H 2 O 2 formation during the ultrasonic irradiation of aqueous nitric acid solutions, are presented. Control of H 2 O 2 or HNO 2 in a nitric acid medium under the effect of an ultrasonic wave can be exploited to control redox reactions of uranium and plutonium ions, particularly with respect to the oxidation of U and Pu (U(IV)→ U(IV) or Pu(III) → Pu(IV)) and the reduction of Pu (Pu(IV)→ Pu(III). The redox behavior of uranium and plutonium ions in aqueous nitric solution subject to an ultrasonic flux is interpreted in term of effects induced on the reaction medium, and reveals the potential for using ultrasound to cause

  5. A mouse model of mitochondrial complex III dysfunction induced by myxothiazol

    Energy Technology Data Exchange (ETDEWEB)

    Davoudi, Mina [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Kallijärvi, Jukka; Marjavaara, Sanna [Folkhälsan Research Center, Biomedicum Helsinki, University of Helsinki, 00014 (Finland); Kotarsky, Heike; Hansson, Eva [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Levéen, Per [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Folkhälsan Research Center, Biomedicum Helsinki, University of Helsinki, 00014 (Finland); Fellman, Vineta, E-mail: Vineta.Fellman@med.lu.se [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Folkhälsan Research Center, Biomedicum Helsinki, University of Helsinki, 00014 (Finland); Children’s Hospital, Helsinki University Hospital, University of Helsinki, Helsinki 00029 (Finland)

    2014-04-18

    Highlights: • Reversible chemical inhibition of complex III in wild type mouse. • Myxothiazol causes decreased complex III activity in mouse liver. • The model is useful for therapeutic trials to improve mitochondrial function. - Abstract: Myxothiazol is a respiratory chain complex III (CIII) inhibitor that binds to the ubiquinol oxidation site Qo of CIII. It blocks electron transfer from ubiquinol to cytochrome b and thus inhibits CIII activity. It has been utilized as a tool in studies of respiratory chain function in in vitro and cell culture models. We developed a mouse model of biochemically induced and reversible CIII inhibition using myxothiazol. We administered myxothiazol intraperitoneally at a dose of 0.56 mg/kg to C57Bl/J6 mice every 24 h and assessed CIII activity, histology, lipid content, supercomplex formation, and gene expression in the livers of the mice. A reversible CIII activity decrease to 50% of control value occurred at 2 h post-injection. At 74 h only minor histological changes in the liver were found, supercomplex formation was preserved and no significant changes in the expression of genes indicating hepatotoxicity or inflammation were found. Thus, myxothiazol-induced CIII inhibition can be induced in mice for four days in a row without overt hepatotoxicity or lethality. This model could be utilized in further studies of respiratory chain function and pharmacological approaches to mitochondrial hepatopathies.

  6. Directed synthesis of crystalline plutonium (III) and (IV) oxalates: accessing redox-controlled separations in acidic solutions

    International Nuclear Information System (INIS)

    Runde, Wolfgang; Brodnax, Lia F.; Goff, George S.; Bean, Amanda C.; Scott, Brian L.

    2009-01-01

    Both binary and ternary solid complexes of Pu(III) and Pu(IV) oxalates have been previously reported in the literature. However, uncertainties regarding the coordination chemistry and the extent of hydration of some compounds remain mainly because of the absence of any crystallographic characterization. Single crystals of hydrated oxalates of Pu(III), Pu 2 (C 2 O 4 ) 3 (H 2 O) 6 ·3H 2 O (I) and Pu(IV), KPu(C 2 O 4 ) 2 (OH)·2.5H 2 O (II), were synthesized under moderate hydrothermal conditions and characterized by single crystal X-ray diffraction studies. Compounds I and II are the first plutonium(III) or (IV) oxalate compounds to be structurally characterized via single crystal X-ray diffraction studies. Crystallographic data for I: monoclinic, space group P21/c, a = 11.246(3) A, b = 9.610(3) A, c = 10.315(3) A, Z = 4 and II: monoclinic, space group C2/c, a = 23.234(14) A, b = 7.502(4) A, c = 13.029(7) A, Z = 8.

  7. Redox reactions of Pu(IV) and Pu(III) in the presence of acetohydroxamic acid in HNO(3) solutions.

    Science.gov (United States)

    Tkac, Peter; Precek, Martin; Paulenova, Alena

    2009-12-21

    The reduction of Pu(IV) in the presence of acetohydroxamic acid (HAHA) was monitored by vis-NIR spectroscopy. All experiments were performed under low HAHA/Pu(IV) ratios, where only the Pu(IV)-monoacetohydroxamate complex and Pu uncomplexed with HAHA were present in relevant concentrations. Time dependent concentrations of all absorbing species were resolved using molar extinction coefficients for Pu(IV), Pu(III), and the Pu(AHA)(3+) complex by deconvolution of spectra. From fitting of the experimental data by rate equations integrated by a numeric method three reactions were proposed to describe a mechanism responsible for the reduction and oxidation of plutonium in the presence of HAHA and HNO(3). Decomposition of Pu(AHA)(3+) follows a second order reaction mechanism with respect to its own concentration and leads to the formation of Pu(III). At low HAHA concentrations, a two-electron reduction of uncomplexed Pu(IV) with HAHA also occurs. Formed Pu(III) is unstable and slowly reoxidizes back to Pu(IV), which, at the point when all HAHA is decomposed, can be catalyzed by the presence of nitrous acid.

  8. A Model Study of the Photochemical Fate of As(III in Paddy-Water

    Directory of Open Access Journals (Sweden)

    Luca Carena

    2017-03-01

    Full Text Available The APEX (Aqueous Photochemistry of Environmentally-occurring Xenobiotics software previously developed by one of us was used to model the photochemistry of As(III in paddy-field water, allowing a comparison with biotic processes. The model included key paddy-water variables, such as the shielding effect of the rice canopy on incident sunlight and its monthly variations, water pH, and the photochemical parameters of the chromophoric dissolved organic matter (CDOM occurring in paddy fields. The half-life times (t1/2 of As(III photooxidation to As(V would be ~20–30 days in May. In contrast, the photochemical oxidation of As(III would be much slower in June and July due to rice-canopy shading of radiation because of plant growth, despite higher sunlight irradiance. At pH < 8 the photooxidation of As(III would mainly be accounted for by reaction with transient species produced by irradiated CDOM (here represented by the excited triplet states 3CDOM*, neglecting the possibly more important reactions with poorly known species such as the phenoxy radicals and, to a lesser extent, with the hydroxyl radicals (HO•. However, the carbonate radicals (CO3•− could be key photooxidants at pH > 8.5 provided that the paddy-water 3CDOM* is sufficiently reactive toward the oxidation of CO32−. In particular, if paddy-water 3CDOM* oxidizes the carbonate anion with a second-order reaction rate constant near (or higher than 106 M−1·s−1, the photooxidation of As(III could be quite fast at pH > 8.5. Such pH conditions can be produced by elevated photosynthetic activity that consumes dissolved CO2.

  9. Model format for a vaccine stability report and software solutions.

    Science.gov (United States)

    Shin, Jinho; Southern, James; Schofield, Timothy

    2009-11-01

    A session of the International Association for Biologicals Workshop on Stability Evaluation of Vaccine, a Life Cycle Approach was devoted to a model format for a vaccine stability report, and software solutions. Presentations highlighted the utility of a model format that will conform to regulatory requirements and the ICH common technical document. However, there need be flexibility to accommodate individual company practices. Adoption of a model format is premised upon agreement regarding content between industry and regulators, and ease of use. Software requirements will include ease of use and protections against inadvertent misspecification of stability design or misinterpretation of program output.

  10. Data mining with SPSS modeler theory, exercises and solutions

    CERN Document Server

    Wendler, Tilo

    2016-01-01

    Introducing the IBM SPSS Modeler, this book guides readers through data mining processes and presents relevant statistical methods. There is a special focus on step-by-step tutorials and well-documented examples that help demystify complex mathematical algorithms and computer programs. The variety of exercises and solutions as well as an accompanying website with data sets and SPSS Modeler streams are particularly valuable. While intended for students, the simplicity of the Modeler makes the book useful for anyone wishing to learn about basic and more advanced data mining, and put this knowledge into practice.

  11. A model of spin crossover in manganese(III) compounds: effects of intra- and intercenter interactions.

    Science.gov (United States)

    Klokishner, Sophia I; Roman, Marianna A; Reu, Oleg S

    2011-11-21

    A microscopic approach to the problem of cooperative spin crossover in the [MnL2]NO3 crystal, which contains Mn(III) ions as structural units, is elaborated on, and the main mechanisms governing this effect are revealed. The proposed model also takes into account the splitting of the low-spin 3T1 (t(2)(4)) and high-spin 5E (t(2)(3)e) terms by the low-symmetry crystal field. The low-spin → high-spin transition has been considered as a cooperative phenomenon driven by interaction of the electronic shells of the Mn(III) ions with the all-around full-symmetric deformation that is extended over the crystal lattice via the acoustic phonon field. The model well explains the observed thermal dependencies of the magnetic susceptibility and the effective magnetic moment.

  12. Molecular model of a type III secretion system needle: Implications for host-cell sensing.

    Science.gov (United States)

    Deane, Janet E; Roversi, Pietro; Cordes, Frank S; Johnson, Steven; Kenjale, Roma; Daniell, Sarah; Booy, Frank; Picking, William D; Picking, Wendy L; Blocker, Ariel J; Lea, Susan M

    2006-08-15

    Type III secretion systems are essential virulence determinants for many Gram-negative bacterial pathogens. The type III secretion system consists of cytoplasmic, transmembrane, and extracellular domains. The extracellular domain is a hollow needle protruding above the bacterial surface and is held within a basal body that traverses both bacterial membranes. Effector proteins are translocated, via this external needle, directly into host cells, where they subvert normal cell functions to aid infection. Physical contact with host cells initiates secretion and leads to formation of a pore, thought to be contiguous with the needle channel, in the host-cell membrane. Here, we report the crystal structure of the Shigella flexneri needle subunit MxiH and a complete model for the needle assembly built into our three-dimensional EM reconstruction. The model, combined with mutagenesis data, reveals that signaling of host-cell contact is relayed through the needle via intersubunit contacts and suggests a mode of binding for a tip complex.

  13. OPTIMASI PEMILIHAN LOKASI FASILITAS PENGOLAHAN LIMBAH ELEKTRONIK (E-WASTE DI INDONESIA DENGAN MODEL ELECTRE III

    Directory of Open Access Journals (Sweden)

    Pertiwi Andarani

    2015-01-01

    Full Text Available Limbah elektronik adalah masalah yang muncul di Indonesia karena mengandung bahan yang berpotensi berbahaya. Dalam rangka menciptakan manajemen yang ramah lingkungan dari limbah elektronik, fasilitas yang memadai diperlukan. Tujuan dari penelitian ini adalah untuk memilih lokasi yang optimal untuk mengembangkan fasilitas pengolahan limbah elektronik (FLPE. Pemilihan lokasi yang optimal dilakukan dengan menggunakan metode model ELECTRE III. ELECTRE adalah keluarga metode analisis keputusan multi-kriteria yang berasal di Eropa. Kriteria yang dipilih untuk analisis ini adalah penduduk setempat, penduduk yang dilayani, persentase belanja bulanan, harga rata-rata rumah tangga per unit, populasi pengangguran, status finansial dari penduduk lokal, jarak dari fasilitas yang telah ada, dan jarak dari pelabuhan terdekat. ELECTRE III membutuhkan penentuan tiga ambang batas, yaitu ambang kelalaian (q, ambang batas preferensi (p, dan ambang veto (v dalam upaya untuk lebih beradaptasi dengan ketidakpastian. Bobot masing-masing kriteria yang ditentukan sesuai dengan kepentingan relatif terhadap kriteria lain. Lokasi optimal untuk FPLE adalah Provinsi Banten berdasarkan model ELECTRE III.   Kata Kunci: limbah elektronik, fasilitas, optimasi, ELECTRE Abstract E-waste is an emerging issue in Indonesia due to its potentially hazardous content and some precious metal. In order to create an environmentally sound management of e-waste, a facility is necessary. The objectives of this study are to to select the optimal location of e-waste dismantling and sorting facility (DSF/FLPE.  The optimal location selection was conducted using the method of ELECTRE III model. ELECTRE is a family of multi-criteria decision analysis methods that originated in Europe. The criteria chosen for this analysis are local population, population served, the percentage of monthly expenditure, average household price per unit, unemployed population, financial status of the local population

  14. Adsorption of H[Ru(III) Cl2(H2EDTA)] complex on modified silica gel surface with [3-(2-aminoethyl)aminopropyl] trimethoxysilane in ethanol solutions

    International Nuclear Information System (INIS)

    Lazarin, Angelica Machi; Sernaglia, Rosana Lazara

    1999-01-01

    Silica gel was functionalized with [3-(2-aminoethyl) aminopropyl] trimethoxysilane group (SF-AEATS) and the characterization by chemical analysis (N) and infrared spectroscopy confirmed the functionalization. The capacity of the modified silica to adsorb the complex Ru (III) EDTA from ethanolic solution was studied. The selectivity coefficients of the complex formed on the support obtained was τn), 2,07 x 10 4 L/mol and the average number of ligand bonded by one metal ion on the support (n) was ∼1. (author)

  15. Automated structure solution, density modification and model building.

    Science.gov (United States)

    Terwilliger, Thomas C

    2002-11-01

    The approaches that form the basis of automated structure solution in SOLVE and RESOLVE are described. The use of a scoring scheme to convert decision making in macromolecular structure solution to an optimization problem has proven very useful and in many cases a single clear heavy-atom solution can be obtained and used for phasing. Statistical density modification is well suited to an automated approach to structure solution because the method is relatively insensitive to choices of numbers of cycles and solvent content. The detection of non-crystallographic symmetry (NCS) in heavy-atom sites and checking of potential NCS operations against the electron-density map has proven to be a reliable method for identification of NCS in most cases. Automated model building beginning with an FFT-based search for helices and sheets has been successful in automated model building for maps with resolutions as low as 3 A. The entire process can be carried out in a fully automatic fashion in many cases.

  16. Predictive modelling of Fe(III) precipitation in iron removal process for bioleaching circuits.

    Science.gov (United States)

    Nurmi, Pauliina; Ozkaya, Bestamin; Kaksonen, Anna H; Tuovinen, Olli H; Puhakka, Jaakko A

    2010-05-01

    In this study, the applicability of three modelling approaches was determined in an effort to describe complex relationships between process parameters and to predict the performance of an integrated process, which consisted of a fluidized bed bioreactor for Fe(3+) regeneration and a gravity settler for precipitative iron removal. Self-organizing maps were used to visually evaluate the associations between variables prior to the comparison of two different modelling methods, the multiple regression modelling and artificial neural network (ANN) modelling, for predicting Fe(III) precipitation. With the ANN model, an excellent match between the predicted and measured data was obtained (R (2) = 0.97). The best-fitting regression model also gave a good fit (R (2) = 0.87). This study demonstrates that ANNs and regression models are robust tools for predicting iron precipitation in the integrated process and can thus be used in the management of such systems.

  17. Main features of nucleation in model solutions of oral cavity

    Science.gov (United States)

    Golovanova, O. A.; Chikanova, E. S.; Punin, Yu. O.

    2015-05-01

    The regularities of nucleation in model solutions of oral cavity have been investigated, and the induction order and constants have been determined for two systems: saliva and dental plaque fluid (DPF). It is shown that an increase in the initial supersaturation leads to a transition from the heterogeneous nucleation of crystallites to a homogeneous one. Some additives are found to enhance nucleation: HCO{3/-} > C6H12O6 > F-, while others hinder this process: protein (casein) > Mg2+. It is established that crystallization in DPF occurs more rapidly and the DPF composition is favorable for the growth of small (52.6-26.1 μm) crystallites. On the contrary, the conditions implemented in the model saliva solution facilitate the formation of larger (198.4-41.8 μm) crystals.

  18. BWR Mark III containment analyses using a GOTHIC 8.0 3D model

    International Nuclear Information System (INIS)

    Jimenez, Gonzalo; Serrano, César; Lopez-Alonso, Emma; Molina, M del Carmen; Calvo, Daniel; García, Javier; Queral, César; Zuriaga, J. Vicente; González, Montserrat

    2015-01-01

    Highlights: • The development of a 3D GOTHIC code model of BWR Mark-III containment is described. • Suppression pool modelling based on the POOLEX STB-20 and STB-16 experimental tests. • LOCA and SBO transient simulated to verify the behaviour of the 3D GOTHIC model. • Comparison between the 3D GOTHIC model and MAAP4.07 model is conducted. • Accurate reproduction of pre severe accident conditions with the 3D GOTHIC model. - Abstract: The purpose of this study is to establish a detailed three-dimensional model of Cofrentes NPP BWR/6 Mark III containment building using the containment code GOTHIC 8.0. This paper presents the model construction, the phenomenology tests conducted and the selected transient for the model evaluation. In order to study the proper settings for the model in the suppression pool, two experiments conducted with the experimental installation POOLEX have been simulated, allowing to obtain a proper behaviour of the model under different suppression pool phenomenology. In the transient analyses, a Loss of Coolant Accident (LOCA) and a Station Blackout (SBO) transient have been performed. The main results of the simulations of those transients were qualitative compared with the results obtained from simulations with MAAP 4.07 Cofrentes NPP model, used by the plant for simulating severe accidents. From this comparison, a verification of the model in terms of pressurization, asymmetric discharges and high pressure release were obtained. The completeness of this model has proved to adequately simulate the thermal hydraulic phenomena which occur in the containment during accidental sequences

  19. Linear facility location in three dimensions - Models and solution methods

    DEFF Research Database (Denmark)

    Brimberg, Jack; Juel, Henrik; Schöbel, Anita

    2002-01-01

    We consider the problem of locating a line or a line segment in three-dimensional space, such that the sum of distances from the facility represented by the line (segment) to a given set of points is minimized. An example is planning the drilling of a mine shaft, with access to ore deposits through...... horizontal tunnels connecting the deposits and the shaft. Various models of the problem are developed and analyzed, and efficient solution methods are given....

  20. Ed overcrowding – matematic models for integrated solutions and decisions

    OpenAIRE

    ROTARU, LUCIANA TEODORA; BĂNICIOIU - COVEI, MIHAI

    2017-01-01

    Dear Editor In Chief, We are writing to You in line with an very interesting point of view regarding the Emergency Department (ED) development. The paper titled Improving Emergency Department Capacity Efficiency, published in your Journal 2016; 12(1): 52- 57, as an original articles, spotlight solution for ED crowding. So we are proposing a mathematics models for reciprocal accommodation of patients flows to the response capacity of the ED. ED overcrowding ...

  1. Thermodynamics of curium(III) in concentrated electrolyte solutions: formation of sulfate complexes in NaCl/Na2SO4 solutions

    International Nuclear Information System (INIS)

    Paviet, P.; Fanghaenel, T.; Klenze, R.; Kim, J.I.

    1996-01-01

    The formation of sulfate complexes of Curium in aqueous solutions is studied by time resolved laser fluorescence spectroscopy (TRLFS) at 25 C. The species Cm 3+ , Cm(SO 4 ) - , Cm(SO 4 ) - 2 and Cm(SO 4 ) 3- 3 are quantified spectroscopically in the trace concentration range by peak deconvolution of fluorescence emission spectra. The complex formation equilibria are measured in NaCl/ Na 2 SO 4 solutions of constant ionic strength (3 molal) as a function of the sulfate concentration. The stability constants of Cm(SO 4 ) + and Cm(SO 4 ) - 2 are determined to be log β 1 = 0.93±0.08 and log β 2 = 0.61±0.08, respectively. The complex Cm(SO 4 ) 3- 3 is found to be stable only at very high sulfate concentrations (above 1 molal) and therefore not considered for further evaluation. (orig.)

  2. Numerical solution of a model for a superconductor field problem

    International Nuclear Information System (INIS)

    Alsop, L.E.; Goodman, A.S.; Gustavson, F.G.; Miranker, W.L.

    1979-01-01

    A model of a magnetic field problem occurring in connection with Josephson junction devices is derived, and numerical solutions are obtained. The model is of mathematical interest, because the magnetic vector potential satisfies inhomogeneous Helmholtz equations in part of the region, i.e., the superconductors, and the Laplace equation elsewhere. Moreover, the inhomogeneities are the guage constants for the potential, which are different for each superconductor, and their magnitudes are proportional to the currents flowing in the superconductors. These constants are directly related to the self and mutual inductances of the superconducting elements in the device. The numerical solution is obtained by the iterative use of a fast Poisson solver. Chebyshev acceleration is used to reduce the number of iterations required to obtain a solution. A typical problem involves solving 100,000 simultaneous equations, which the algorithm used with this model does in 20 iterations, requiring three minutes of CPU time on an IBM VM/370/168. Excellent agreement is obtained between calculated and observed values for the inductances

  3. Separation of uranium(V I) from binary solution mixtures with thorium(IV), zirconium(IV) and cerium(III) by foaming

    International Nuclear Information System (INIS)

    Shakir, K.; Aziz, M.; Benyamin, K.

    1992-01-01

    Foam separation has been investigated for the removal of uranium(V I), thorium(IV), zirconium(IV) and cerium(III) from dilute aqueous solutions at pH values ranging from about I to about II. Sodium laurel sulphate (Na L S) and acetyl trimethyl ammonium bromide (CTAB), being a strong anionic and a strong cationic surfactants, were used as collectors. The results indicate that Na L S can efficiently remove thorium(IV), zirconium(IV) and cerium(III) but not uranium(V I). CTAB, on the other hand, can successfully float only uranium(V I) and zirconium(IV). These differences in flotation properties of the different cations could be used to establish methods for the separation of uranium(V I) from binary mixtures with thorium(IV), zirconium(IV) or cerium(III). The results are discussed in terms of the hydrolytic behaviour of the tested cations and properties of used collectors.2 fig., 1 tab

  4. Cr(VI) and Cr(III) removal from aqueous solution by raw and modified lignocellulosic materials: a review.

    Science.gov (United States)

    Miretzky, P; Cirelli, A Fernandez

    2010-08-15

    In aqueous systems, chromium usually exists in both trivalent and hexavalent oxidation states, being Cr(VI) of particular importance and concern due to its great toxicity. Industrial sources of Cr(VI) are leather tanning, mining of chrome ore, production of steel and alloys, etc. The most common conventional method for Cr(VI) removal is reduction to Cr(III) at pH 2.0 and precipitation of Cr (OH)(3) with lime at pH 9-10. The disadvantage of precipitation is the disposal of the solid waste. Adsorption of Cr by different low cost materials seems to be a suitable choice for wastewater treatment. Many by-products of agriculture have proved to be suitable low cost adsorbents for Cr(VI) and Cr(III) removal from water. Lignocellulosic residues, which include both wood residues and agricultural residues, have adsorption capacity comparable to other natural sorbents, but they have the advantage of very low or no cost, great availability and simple operational process. This study is a review of the recent literature on the use of natural and modified lignocellulosic residues for Cr adsorption. The Cr maximum adsorption capacity and the adsorption mechanism under different experimental conditions are reported when possibly. Copyright 2010 Elsevier B.V. All rights reserved.

  5. Spectroscopic properties of vitamin E models in solution

    Science.gov (United States)

    Oliveira, L. B. A.; Colherinhas, G.; Fonseca, T. L.; Castro, M. A.

    2015-05-01

    We investigate the first absorption band and the 13C and 17O magnetic shieldings of vitamin E models in chloroform and in water using the S-MC/QM methodology in combination with the TD-DFT and GIAO approaches. The results show that the solvent effects on these spectroscopic properties are small but a proper description of the solvent shift for 17O magnetic shielding of the hydroxyl group in water requires the use of explicit solute-solvent hydrogen bonds. In addition, the effect of the replacement of hydrogen atoms by methyl groups in the vitamin E models only affects magnetic shieldings.

  6. Asymptotic solutions of diffusion models for risk reserves

    Directory of Open Access Journals (Sweden)

    S. Shao

    2003-01-01

    Full Text Available We study a family of diffusion models for risk reserves which account for the investment income earned and for the inflation experienced on claim amounts. After we defined the process of the conditional probability of ruin over finite time and imposed the appropriate boundary conditions, classical results from the theory of diffusion processes turn the stochastic differential equation to a special class of initial and boundary value problems defined by a linear diffusion equation. Armed with asymptotic analysis and perturbation theory, we obtain the asymptotic solutions of the diffusion models (possibly degenerate governing the conditional probability of ruin over a finite time in terms of interest rate.

  7. Bessel collocation approach for approximate solutions of Hantavirus infection model

    Directory of Open Access Journals (Sweden)

    Suayip Yuzbasi

    2017-11-01

    Full Text Available In this study, a collocation method is introduced to find the approximate solutions of Hantavirus infection model which is a system of nonlinear ordinary differential equations. The method is based on the Bessel functions of the first kind, matrix operations and collocation points. This method converts Hantavirus infection model into a matrix equation in terms of the Bessel functions of first kind, matrix operations and collocation points. The matrix equation corresponds to a system of nonlinear equations with the unknown Bessel coefficients. The reliability and efficiency of the suggested scheme are demonstrated by numerical applications and all numerical calculations have been done by using a program written in Maple.

  8. Asymptotically exact solution of a local copper-oxide model

    International Nuclear Information System (INIS)

    Zhang Guangming; Yu Lu.

    1994-03-01

    We present an asymptotically exact solution of a local copper-oxide model abstracted from the multi-band models. The phase diagram is obtained through the renormalization-group analysis of the partition function. In the strong coupling regime, we find an exactly solved line, which crosses the quantum critical point of the mixed valence regime separating two different Fermi-liquid (FL) phases. At this critical point, a many-particle resonance is formed near the chemical potential, and a marginal-FL spectrum can be derived for the spin and charge susceptibilities. (author). 15 refs, 1 fig

  9. Negative emotionality across diagnostic models: RDoC, DSM-5 Section III, and FFM.

    Science.gov (United States)

    Gore, Whitney L; Widiger, Thomas A

    2018-03-01

    The research domain criteria (RDoC) were established in an effort to explore underlying dimensions that cut across many existing disorders and to provide an alternative to the Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition (DSM-5). One purpose of the present study was to suggest a potential alignment of RDoC negative valence with 2 other dimensional models of negative emotionality: five-factor model (FFM) neuroticism and the DSM-5 Section III negative affectivity. A second purpose of the study, though, was to compare their coverage of negative emotionality, more specifically with respect to affective instability. Participants were adult community residents (N = 90) currently in mental health treatment. Participants received self-report measures of RDoC negative valence, FFM neuroticism, and DSM-5 Section III negative affectivity, along with measures of affective instability, borderline personality disorder, and impairment. Findings suggested that RDoC negative valence is commensurate with FFM neuroticism and DSM-5 Section III negative affectivity, and it would be beneficial if it was expanded to include affective instability. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

  10. Microfluidic model experiments on the injectability of monoclonal antibody solutions

    Science.gov (United States)

    Duchene, Charles; Filipe, Vasco; Nakach, Mostafa; Huille, Sylvain; Lindner, Anke

    2017-11-01

    Autoinjection devices that allow patients to self-administer medicine are becoming used more frequently; however, this advance comes with an increased need for precision in the injection process. The rare occurrence of protein aggregates in solutions of monoclonal antibodies constitutes a threat to the reliability of such devices. Here we study the flow of protein solutions containing aggregates in microfluidic model systems, mimicking injection devices, to gain fundamental understanding of the catastrophic clogging of constrictions of given size. We form aggregates by mechanically shaking or heating antibody solutions and then inject these solutions into microfluidic channels with varying types of constrictions. Geometrical clogging occurs when aggregates reach the size of the constriction and can in some cases be undone by increasing the applied pressure. We perform systematic experiments varying the relative aggregate size and the flow rate or applied pressure. The mechanical deformation of aggregates during their passage through constrictions is investigated to gain a better understanding of the clogging and unclogging mechanisms.

  11. Development of solute transport models in YMPYRÄ framework to simulate solute migration in military shooting and training areas

    Science.gov (United States)

    Warsta, L.; Karvonen, T.

    2017-12-01

    There are currently 25 shooting and training areas in Finland managed by The Finnish Defence Forces (FDF), where military activities can cause contamination of open waters and groundwater reservoirs. In the YMPYRÄ project, a computer software framework is being developed that combines existing open environmental data and proprietary information collected by FDF with computational models to investigate current and prevent future environmental problems. A data centric philosophy is followed in the development of the system, i.e. the models are updated and extended to handle available data from different areas. The results generated by the models are summarized as easily understandable flow and risk maps that can be opened in GIS programs and used in environmental assessments by experts. Substances investigated with the system include explosives and metals such as lead, and both surface and groundwater dominated areas can be simulated. The YMPYRÄ framework is composed of a three dimensional soil and groundwater flow model, several solute transport models and an uncertainty assessment system. Solute transport models in the framework include particle based, stream tube and finite volume based approaches. The models can be used to simulate solute dissolution from source area, transport in the unsaturated layers to groundwater and finally migration in groundwater to water extraction wells and springs. The models can be used to simulate advection, dispersion, equilibrium adsorption on soil particles, solubility and dissolution from solute phase and dendritic solute decay chains. Correct numerical solutions were confirmed by comparing results to analytical 1D and 2D solutions and by comparing the numerical solutions to each other. The particle based and stream tube type solute transport models were useful as they could complement the traditional finite volume based approach which in certain circumstances produced numerical dispersion due to piecewise solution of the

  12. A note on tilted Bianchi type VIh models: the type III bifurcation

    Science.gov (United States)

    Coley, A. A.; Hervik, S.

    2008-10-01

    In this note we complete the analysis of Hervik, van den Hoogen, Lim and Coley (2007 Class. Quantum Grav. 24 3859) of the late-time behaviour of tilted perfect fluid Bianchi type III models. We consider models with dust, and perfect fluids stiffer than dust, and eludicate the late-time behaviour by studying the centre manifold which dominates the behaviour of the model at late times. In the dust case, this centre manifold is three-dimensional and can be considered a double bifurcation as the two parameters (h and γ) of the type VIh model are varied. We therefore complete the analysis of the late-time behaviour of tilted ever-expanding Bianchi models of types I VIII.

  13. Solution chemistry of element 105. Pt. III. Hydrolysis and complex formation of Nb, Ta, Db and Pa in HF and HBr solutions

    International Nuclear Information System (INIS)

    Pershina, V.; Bastug, T.

    1999-01-01

    Calculations of the electronic structure of MF 6 - and MBr 6 - complexes of Nb, Ta, Pa and element 105, Db, formed in HF and HBr solutions have been performed using the Dirac-Slater Discrete Variational method. On the basis of results of these calculations, relative values of the free energy change of reactions of complex formation have been determined. The order of the complex formation for both acids is shown to be Pa >> Nb > Db > Ta. Such a sequence is defined by a predominant electrostatic energy of the metal-ligand interaction. The hydrolysis of compounds, as a reverse process, proved to change as Ta > Db > Nb >> Pa. Using the theory of metal extraction by anion exchange, the following trend in the extraction of the anionic species from both the HF and HBr aqueous solutions has been predicted: Pa >> Nb ≥ Db > Ta. The strength of the ML 6 - complexes is shown to decrease from MF 6 , to MCl 6 and further to MBr 6 - which is reflected by shifting the complex formation process to the area of higher acid concentrations. (orig.)

  14. Weak solutions to interdiffusion models with Vegard rule

    Science.gov (United States)

    Sapa, Lucjan; BoŻek, Bogusław; Danielewski, Marek

    2018-01-01

    In this work we consider the diffusional transport in an r-component solid solution. The one and multidimensional models are expressed by the nonlinear systems of strongly coupled differential equations with the initial and the nonlinear coupled boundary conditions. They are obtained from the local mass conservation law for fluxes which are a sum of the diffusional and Darken drift terms, together with the Vegard rule. The considered boundary conditions allow the physical system to be not only closed but also open. The theorems on existence, uniqueness and properties of global weak solutions in the one-dimensional case are formulated. The agreement between the theoretical results, numerical simulations and experimental data in the one-dimensional case is shown.

  15. DEM Solutions Develops Answers to Modeling Lunar Dust and Regolith

    Science.gov (United States)

    Dunn, Carol Anne; Calle, Carlos; LaRoche, Richard D.

    2010-01-01

    With the proposed return to the Moon, scientists like NASA-KSC's Dr. Calle are concerned for a number of reasons. We will be staying longer on the planet's surface, future missions may include dust-raising activities, such as excavation and handling of lunar soil and rock, and we will be sending robotic instruments to do much of the work for us. Understanding more about the chemical and physical properties of lunar dust, how dust particles interact with each other and with equipment surfaces and the role of static electricity build-up on dust particles in the low-humidity lunar environment is imperative to the development of technologies for removing and preventing dust accumulation, and successfully handling lunar regolith. Dr. Calle is currently working on the problems of the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces, particularly to those of Mars and the Moon, and is heavily involved in developing instrumentation for future planetary missions. With this end in view, the NASA Kennedy Space Center's Innovative Partnerships Program Office partnered with OEM Solutions, Inc. OEM Solutions is a global leader in particle dynamics simulation software, providing custom solutions for use in tackling tough design and process problems related to bulk solids handling. Customers in industries such as pharmaceutical, chemical, mineral, and materials processing as well as oil and gas production, agricultural and construction, and geo-technical engineering use OEM Solutions' EDEM(TradeMark) software to improve the design and operation of their equipment while reducing development costs, time-to-market and operational risk. EDEM is the world's first general-purpose computer-aided engineering (CAE) tool to use state-of-the-art discrete element modeling technology for the simulation and analysis of particle handling and manufacturing operations. With EDEM you'can quickly and easily create a parameterized model of your granular solids

  16. Spectroscopic investigations on the complexation of Cm(III) and Eu(III) with organic model ligands and their binding mode in human urine (in vitro); Spektroskopische Untersuchungen zur Komplexbildung von Cm(III) und Eu(III) mit organischen Modellliganden sowie ihrer chemischen Bindungsform in menschlichem Urin (in vitro)

    Energy Technology Data Exchange (ETDEWEB)

    Heller, Anne

    2011-10-26

    In case of incorporation, trivalent actinides (An(III)) and lanthanides (Ln(III)) pose a serious health risk to humans. An(III) are artificial, highly radioactive elements which are mainly produced during the nuclear fuel cycle in nuclear power plants. Via hazardous accidents or nonprofessional storage of radioactive waste, they can be released in the environment and enter the human food chain. In contrast, Ln(III) are nonradioactive, naturally occurring elements with multiple applications in technique and medicine. Consequently it is possible that humans get in contact and incorporate both, An(III) and Ln(III). Therefore, it is of particular importance to elucidate the behaviour of these elements in the human body. While macroscopic processes such as distribution, accumulation and excretion are studied quite well, knowledge about the chemical binding form (speciation) of An(III) and Ln(III) in various body fluids is still sparse. In the present work, for the first time, the speciation of Cm(III) and Eu(III) in natural human urine (in vitro) has been investigated spectroscopically and the formed complex identified. For this purpose, also basic investigations on the complex formation of Cm(III) and Eu(III) in synthetic model urine as well as with the urinary relevant, organic model ligands urea, alanine, phenylalanine, threonine and citrate have been performed and the previously unknown complex stability constants determined. Finally, all experimental results were compared to literature data and predictions calculated by thermodynamic modelling. Since both, Cm(III) and Eu(III), exhibit unique luminescence properties, particularly the suitability of time-resolved laser-induced fluorescence spectroscopy (TRLFS) could be demonstrated as a method to investigate these metal ions in untreated, complex biofluids. The results of this work provide new scientific findings on the biochemical reactions of An(III) and Ln(III) in human body fluids on a molecular scale and

  17. Ground-water solute transport modeling using a three-dimensional scaled model

    International Nuclear Information System (INIS)

    Crider, S.S.

    1987-01-01

    Scaled models are used extensively in current hydraulic research on sediment transport and solute dispersion in free surface flows (rivers, estuaries), but are neglected in current ground-water model research. Thus, an investigation was conducted to test the efficacy of a three-dimensional scaled model of solute transport in ground water. No previous results from such a model have been reported. Experiments performed on uniform scaled models indicated that some historical problems (e.g., construction and scaling difficulties; disproportionate capillary rise in model) were partly overcome by using simple model materials (sand, cement and water), by restricting model application to selective classes of problems, and by physically controlling the effect of the model capillary zone. Results from these tests were compared with mathematical models. Model scaling laws were derived for ground-water solute transport and used to build a three-dimensional scaled model of a ground-water tritium plume in a prototype aquifer on the Savannah River Plant near Aiken, South Carolina. Model results compared favorably with field data and with a numerical model. Scaled models are recommended as a useful additional tool for prediction of ground-water solute transport

  18. Symmetry-breaking solutions of the Hubbard model

    International Nuclear Information System (INIS)

    Kuzemsky, A.L.; )

    1998-10-01

    The problem of finding the ferromagnetic and antiferromagnetic ''broken symmetry'' solutions of the correlated lattice fermion models beyond the mean-field approximation has been investigated. The calculation of the quasiparticle excitation spectrum with damping for the single- and multi-orbital Hubbard model has been performed in the framework of the equation-of-motion method for two-time temperature Green's Functions within a non-perturbative approach. A unified scheme for the construction of Generalised Mean Fields (elastic scattering corrections) and self-energy (inelastic scattering) in terms of Dyson equation has been generalised in order to include the presence of the ''source fields''. The damping of quasiparticles, which reflects the interaction of the single-particle and collective degrees of freedom has been calculated. The ''broken symmetry'' dynamical solutions of the Hubbard model, which correspond to various types of itinerant antiferromagnetism have been discussed. This approach complements previous studies and clarifies the nature of the concepts of itinerant antiferromagnetism and ''spin-aligning field'' of correlated lattice fermions. (author)

  19. A Mathematical Model of Solute Coupled Water Transport in Toad Intestine Incorporating Recirculation of the Actively Transported Solute

    DEFF Research Database (Denmark)

    Larsen, Erik Hviid; Sørensen, Jakob Balslev; Sørensen, Jens Nørkær

    2000-01-01

    those of tight junction and interspace basement membrane by convection-diffusion. With solute permeability of paracellular pathway large relative to paracellular water flow, the paracellular flux ratio of the solute (influx/outflux) is small (2-4) in agreement with experiments. The virtual solute......A mathematical model of an absorbing leaky epithelium is developed for analysis of solute coupled water transport. The non-charged driving solute diffuses into cells and is pumped from cells into the lateral intercellular space (lis). All membranes contain water channels with the solute passing...... increases with hydraulic conductance of the pathway carrying water from mucosal solution into lis. Uphill water transport is accomplished, but with high hydraulic conductance of cell membranes strength of transport is obscured by water flow through cells. Anomalous solvent drag occurs when back flux...

  20. Solutions of the SIR models of epidemics using HAM

    International Nuclear Information System (INIS)

    Awawdeh, Fadi; Adawi, A.; Mustafa, Z.

    2009-01-01

    In this paper, we investigate the accuracy of the Homotopy Analysis Method (HAM) for solving the problem of the spread of a non-fatal disease in a population. The advantage of this method is that it provides a direct scheme for solving the problem, i.e., without the need for linearization, perturbation, massive computation and any transformation. Mathematical modeling of the problem leads to a system of nonlinear ODEs. MATLAB 7 is used to carry out the computations. Graphical results are presented and discussed quantitatively to illustrate the solution.

  1. Cell line with endogenous EGFRvIII expression is a suitable model for research and drug development purposes.

    Science.gov (United States)

    Stec, Wojciech J; Rosiak, Kamila; Siejka, Paulina; Peciak, Joanna; Popeda, Marta; Banaszczyk, Mateusz; Pawlowska, Roza; Treda, Cezary; Hulas-Bigoszewska, Krystyna; Piaskowski, Sylwester; Stoczynska-Fidelus, Ewelina; Rieske, Piotr

    2016-05-31

    Glioblastoma is the most common and malignant brain tumor, characterized by high cellular heterogeneity. About 50% of glioblastomas are positive for EGFR amplification, half of which express accompanying EGFR mutation, encoding truncated and constitutively active receptor termed EGFRvIII. Currently, no cell models suitable for development of EGFRvIII-targeting drugs exist, while the available ones lack the intratumoral heterogeneity or extrachromosomal nature of EGFRvIII.The reports regarding the biology of EGFRvIII expressed in the stable cell lines are often contradictory in observations and conclusions. In the present study, we use DK-MG cell line carrying endogenous non-modified EGFRvIII amplicons and derive a sub-line that is near depleted of amplicons, whilst remaining identical on the chromosomal level. By direct comparison of the two lines, we demonstrate positive effects of EGFRvIII on cell invasiveness and populational growth as a result of elevated cell survival but not proliferation rate. Investigation of the PI3K/Akt indicated no differences between the lines, whilst NFκB pathway was over-active in the line strongly expressing EGFRvIII, finding further supported by the effects of NFκB pathway specific inhibitors. Taken together, these results confirm the important role of EGFRvIII in intrinsic and extrinsic regulation of tumor behavior. Moreover, the proposed models are stable, making them suitable for research purposes as well as drug development process utilizing high throughput approach.

  2. Reduction of Cr (VI) into Cr (III) by organelles of Chlorella vulgaris in aqueous solution: An organelle-level attempt.

    Science.gov (United States)

    Chen, Zunwei; Song, Shufang; Wen, Yuezhong

    2016-12-01

    The priority pollutant chromium (Cr) was ubiquitous and great efforts have been made to reduce Cr (VI) into less-toxic Cr (III) by alga for the convenient availability and low expense. However, the functional role of organelle inside the algal cell in Cr (VI) reduction was poorly understood. In this study, organelles in green algae Chlorella vulgaris were extracted and further decorated for Cr (VI) reduction tests. Results showed that the chloroplast exhibited not only adsorption ability of total Cr (21.18% comparing to control) but also reduction potential of Cr (VI) (almost 70% comparing to control), whose most suitable working concentration was at 17μg/mL. Furtherly, the isolated thylakoid membrane (ITM) showed better Cr (VI) reduction potential with the presence of sodium alginate (SA), even though the Hill reaction activity (HRA) was inhibited. As for photosystem II (PSII), the addition of mesoporous silica SBA-15 enhanced the reduction ability through improving the light-harvesting complex (LHC) II efficiency and electron transport rate. On the whole, the reduction ability order of the three kinds of materials based on chloroplast in C. vulgaris was PSII@SBA-15>Chloroplast>ITM@SA. The attempt made in this study to reduce the Cr (VI) with C. vulgaris organelles might not only offer basement to detect the potential action mechanism of Cr (VI) reduction by C. vulgaris but also provide a new sight for the scavenge of heavy metal with biological materials. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Oxidation of D-glucose and D-fructose with oxygen in aqueous, alkaline solutions. III. Kinetic approach to the product distribution

    NARCIS (Netherlands)

    de Wilt, H.G.J.; Kuster, Ben

    1972-01-01

    Based on a previously reported, integral reaction-scheme for the homogeneous oxidation of -glucose and -fructose with oxygen in aqueous, alkaline solutions, a kinetic model covering the product distribution has been developed. The model consists of a repeated set of reactions with constant rate

  4. Synthesis of Ce(III)-doped Fe{sub 3}O{sub 4} magnetic particles for efficient removal of antimony from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Zenglu; Joshi, Tista Prasai [Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Liu, Ruiping, E-mail: liuruiping@rcees.ac.cn [Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Liu, Huijuan [University of Chinese Academy of Sciences, Beijing 100049 (China); State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 (China); Qu, Jiuhui [Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

    2017-05-05

    Highlights: • Doping of Ce into Fe{sub 3}O{sub 4} was achieved based on a facile solvothermal method. • After doping, the removal capacity was increased by 5 times for “Sb(V)” and 2 times for “Sb(III)”. • Decreasing pH improved adsorption of Sb(V) but decreased adsorption of Sb(III). • Antimony sorption mechanisms on Ce-doped Fe{sub 3}O{sub 4} were illustrated. - Abstract: Aqueous antimony (Sb) pollution from human activity is of great concern in drinking water due to its adverse health effect. Magnetic Fe{sub 3}O{sub 4} particles, with high separation ability from solution, have been considered as a low-cost Sb adsorbent for contaminants. However, the limited adsorption capacity has restricted its practical application. In this study, a solvothermal approach was developed for doping Ce(III) into Fe{sub 3}O{sub 4}, thereby increasing the adsorption efficacy for both Sb(III) and Sb(V). In contrast to un-doped Fe{sub 3}O{sub 4}, the adsorption capacity towards Sb(III) and Sb(V) in Ce-doped materials increased from 111.4 to 224.2 mg/g and from 37.2 to 188.1 mg/g at neutral pH, respectively. Based on the combined results of XPS, XRD, and FTIR, it confirmed that Ce atom successfully doped into the Fe{sub 3}O{sub 4} structure, resulting in the decreased particle size, increased the surface area, and isoelectric point. Furthermore, the vibrating sample magnetometer (VSM) results showed that the Ce doping process had some side effects on the primitive magnetic property, but remaining the high separation potential during water treatment. According to the high removal efficiency and magnetic property, the Ce-doped Fe{sub 3}O{sub 4} of great simplicity should be a promising adsorbent for aqueous Sb removal.

  5. Final Report. Fumex-III. Improvement of Models Used for Fuel Behaviour Simulation

    International Nuclear Information System (INIS)

    Kulacsy, Katalin

    2013-01-01

    The FUMEX-III coordinated research programme organised by the IAEA was the first FUMEX exercise in which AEKI (Hungarian Academy of Sciences KFKI Atomic Energy Research Institute) took part with the partial support of Paks NPP. The aim of the participation was to test the code FUROM developed at AEKI against not only measurements but also other fuel behaviour simulation codes, to share and discuss modelling experience and issues, and to establish acquaintance with fuel modellers in other countries. Among the numerous cases proposed for the programme, AEKI chose to simulate normal operation up to high burn-up and ramp tests, with special interest in VVER rods and PWR rods with annular pellets. The US PWR 16x16, the SPC RE GINNA, the Kola3-MIR, the IFA-519.9 cases and the AREVA idealised rod were thus selected. The present Final Report gives a short description of the FUROM models relevant to the selected cases, presents the results for the 5 cases and summarises the conclusions of the FUMEX-III programme. The input parameters used for the simulations can be found in the Appendix at the end of the Report. Observations concerning the IFPE datasets are collected for each dataset in their respective Sections for possible use in the IFPE database. (author)

  6. Solution of the comoving-frame equation of transfer in spherically symmetric flows. III. Effect of aberration and advection terms

    International Nuclear Information System (INIS)

    Mihalas, D.; Kunasz, P.B.; Hummer, D.G.

    1976-01-01

    We investigate the importance of the advection and aberration terms, which are of order V/c, in the comoving-frame transfer equation in spherical geometry. Characteristic trajectories are found which reduce the spatial derivatives to a perfect differential, and a generalization of the numerical procedure developed in the earlier papers of this series that permits the integration of the transfer equation on these characteristics is presented. For cases in which V/cvery-much-less-than1, a perturbation solution is developed which reduces the problem to that solved in the first paper in this series. For velocities of the form V (r) approx.r/subn/(n=0,1,2), it is shown that the magnitude of the effects arising from the advection and aberration terms is about 5V/c relative to the solution with these terms omitted. In stellar winds V/capproximately-less-than0.01; hence we conclude that aberration and advection terms may safely be ignored, and that consideration of the Doppler-shift term alone is adequate in the computation of spectra from such expanding atmospheres

  7. PENGEMBANGAN MODEL UNTUK SIMULASI KESELAMATAN REAKTOR PWR 1000 MWe GENERASI III+ MENGGUNAKAN PROGRAM KOMPUTER RELAP5

    Directory of Open Access Journals (Sweden)

    Andi Sofrany Ekariansyah

    2015-04-01

    Full Text Available Reaktor daya PWR AP1000 yang didesain oleh Westinghouse adalah reaktor Generasi III+ pertama yang telah menerima persetujuan desain dari U.S. Nuclear Regulatory Commission (NRC. Saat ini utilitas China telah memulai pembangunan beberapa unit AP1000 di dua tapak terpilih untuk rencana operasi pada 2013-2015. AP1000 sebagai desain PWR berdasarkan teknologi teruji dari desain PWR lainnya yang dibuat oleh Westinghouse dengan penguatan pada sistem keselamatan pasif dengan demikian dapat dipertimbangkan untuk dibangun di Indonesia bila mengacu pada persyaratan pada PP 43/2006 mengenai Perijinan Reaktor Nuklir. Namun demikian, desain tersebut perlu diverifikasi oleh Technical Support Organization (TSO independen sebelum dapat dibangun di Indonesia. Verifikasi dapat dilakukan menggunakan paket program RELAP5 dalam bentuk analisis kecelakaan. Selama ini analisis kecelakaan PLTN dilakukan untuk tipe PWR 1000 MWe dari generasi II atau tipe konvensional. Mengingat saat ini referensi yang menggambarkan teknologi AP1000 yang menyertakan teknologi keselamatan pasif sudah tersedia maka dilakukan kegiatan pemodelan yang nantinya dapat digunakan untuk melakukan analisis kecelakaan. Metode pengembangan model mengacu pada pedoman IAEA yang terdiri dari pengumpulan data instalasi, pengembangan engineering data dan penyusunan input deck, verifikasi dan validasi data input. Model yang berhasil dikembangkan secara umum telah mewakili sistem AP1000 secara keseluruhan dan dianggap sebagai model dasar. Model tersebut telah diverifikasi dan divalidasi dengan data desain yang terdapat pada referensi dimana respon parameter termohidraulika menunjukkan perbedaan hasil ± 3% selain untuk parameter penurunan tekanan teras yang lebih rendah 13%. Sebagai model dasar, input deck yang diperoleh dapat dikembangkan lebih lanjut dengan mengintegrasikan pemodelan sistem keselamatan, sistem proteksi, dan sistem kendali yang spesifik AP1000 untuk keperluan simulasi keselamatan yang lebih

  8. Challenges and potential solutions for European coastal ocean modelling

    Science.gov (United States)

    She, Jun; Stanev, Emil

    2017-04-01

    Coastal operational oceanography is a science and technological platform to integrate and transform the outcomes in marine monitoring, new knowledge generation and innovative technologies into operational information products and services in the coastal ocean. It has been identified as one of the four research priorities by EuroGOOS (She et al. 2016). Coastal modelling plays a central role in such an integration and transformation. A next generation coastal ocean forecasting system should have following features: i) being able to fully exploit benefits from future observations, ii) generate meaningful products in finer scales e.g., sub-mesoscale and in estuary-coast-sea continuum, iii) efficient parallel computing and model grid structure, iv) provide high quality forecasts as forcing to NWP and coastal climate models, v) resolving correctly inter-basin and inter-sub-basin water exchange, vi) resolving synoptic variability and predictability in marine ecosystems, e.g., for algae bloom, vi) being able to address critical and relevant issues in coastal applications, e.g., marine spatial planning, maritime safety, marine pollution protection, disaster prevention, offshore wind energy, climate change adaptation and mitigation, ICZM (integrated coastal zone management), the WFD (Water Framework Directive), and the MSFD (Marine Strategy Framework Directive), especially on habitat, eutrophication, and hydrographic condition descriptors. This presentation will address above challenges, identify limits of current models and propose correspondent research needed. The proposed roadmap will address an integrated monitoring-modelling approach and developing Unified European Coastal Ocean Models. In the coming years, a few new developments in European Sea observations can expected, e.g., more near real time delivering on profile observations made by research vessels, more shallow water Argo floats and bio-Argo floats deployed, much more high resolution sea level data from SWOT

  9. The catalytic ozonization of model lignin compounds in the presence of Fe(III) ions

    Science.gov (United States)

    Ben'ko, E. M.; Mukovnya, A. V.; Lunin, V. V.

    2007-05-01

    The ozonization of several model lignin compounds (guaiacol, 2,6-dimethoxyphenol, phenol, and vanillin) was studied in acid media in the presence of iron(III) ions. It was found that Fe3+ did not influence the initial rate of the reactions between model phenols and ozone but accelerated the oxidation of intermediate ozonolysis products. The metal concentration dependences of the total ozone consumption and effective rate constants of catalytic reaction stages were determined. Data on reactions in the presence of oxalic acid as a competing chelate ligand showed that complex formation with Fe3+ was the principal factor that accelerated the ozonolysis of model phenols at the stage of the oxidation of carboxylic dibasic acids and C2 aldehydes formed as intermediate products.

  10. Fast Proton Titration Scheme for Multiscale Modeling of Protein Solutions.

    Science.gov (United States)

    Teixeira, Andre Azevedo Reis; Lund, Mikael; da Silva, Fernando Luís Barroso

    2010-10-12

    Proton exchange between titratable amino acid residues and the surrounding solution gives rise to exciting electric processes in proteins. We present a proton titration scheme for studying acid-base equilibria in Metropolis Monte Carlo simulations where salt is treated at the Debye-Hückel level. The method, rooted in the Kirkwood model of impenetrable spheres, is applied on the three milk proteins α-lactalbumin, β-lactoglobulin, and lactoferrin, for which we investigate the net-charge, molecular dipole moment, and charge capacitance. Over a wide range of pH and salt conditions, excellent agreement is found with more elaborate simulations where salt is explicitly included. The implicit salt scheme is orders of magnitude faster than the explicit analog and allows for transparent interpretation of physical mechanisms. It is shown how the method can be expanded to multiscale modeling of aqueous salt solutions of many biomolecules with nonstatic charge distributions. Important examples are protein-protein aggregation, protein-polyelectrolyte complexation, and protein-membrane association.

  11. A luminescent Cd(II)-based metal-organic framework for detection of Fe(III) ions in aqueous solution

    Science.gov (United States)

    Li, Fen-Fang; Zhu, Miao-Li; Lu, Li-Ping

    2018-05-01

    A novel Cd((II)-organic framework [Cd(Hcbic)]n (H3cbic = 1-(4-carboxybenz-yl)-1H-benzoim-idazole-5, 6-dicarboxylic acid) was assembled and characterized by X-ray single crystal analysis. The Cd-MOF features one-dimensional left and right-handed double helical chains with screw-pitch of about 4.727 Å and the 4-methyl benzoic acid groups of Hcbic2- ligands in MOF-1 play many ribbons distributing in the two sides of the 2D networks. It is found that MOF-1 shows high selectivity (KSV = 1.8 × 105 L / mol) for Fe3+ ions in water solution with luminescent quenching because of the existence of uncoordinated carboxyl groups within open frameworks, which indicates that MOF-1 is a simple and reliable detection sensing reagent for Fe3+ in practical applications.

  12. Comparison of the modeling solutions with the hydrogen discharge data

    International Nuclear Information System (INIS)

    Hiskes, J.R.

    1992-01-01

    With the availability of experimental values for H 2 vibrational population distributions up to v=8 and measured distributions up to v=5 with simultaneous measurements of the H - concentration, it has become possible to test some features of the full-spectrum model of H - generation. The application of the code developed by Gorse et al. to these discharges by the groups at both Bari and at the Ecole Polytechnique has extended the vibrational distribution calculation to include also the H - concentration. Comparing the vibrational population calculated by these two groups at the higher levels, where the onset of H - production occurs, one finds populations for the υ=5 level that are a factor of eight to ten larger than the experimental values. Since these workers have omitted the role of the H 3 + ions known to be present in the discharge, the inclusion of the appropriate S-V process should increase the population discrepancies another factor of two or three. This excess population poses something of a dilemma: Since the Bari code simultaneously reproduces the observed H - concentration but overestimates the vibrational population by a large factor, the standard model of vibrational excitation followed by dissociative attachment is open to question. If measured rather than calculated distributions were used in the H - calculation, the calculated H - concentration would presumably be an order-of-magnitude smaller than the observed value. The measured population distributions taken against the background of the modelling solutions would seem to imply alternate sources of H - production other than dissociative attachment. To examine this problem, we have generated new modelling solutions for comparison with the data of Eenshuistra et al

  13. Modeling for thermodynamic activities of components in simulated reprocessing solutions

    International Nuclear Information System (INIS)

    Sasahira, Akira; Hoshikawa, Tadahiro; Kawamura, Fumio

    1992-01-01

    Analyses of chemical reactions have been widely carried out for soluble fission products encountered in nuclear fuel reprocessing. For detailed analyses of reactions, a prediction of the activity or activity coefficient for nitric acid, water, and several nitrates of fission products is needed. An idea for the predicted nitric acid activity was presented earlier. The model, designated the hydration model, does not predict the nitrate activity. It did, however, suggest that the activity of water would be a function of nitric acid activity but not the molar fraction of water. If the activities of nitric acid and water are accurately predicted, the activity of the last component, nitrate, can be calculated using the Gibbs-Duhem relation for chemical potentials. Therefore, in this study, the earlier hydration model was modified to evaluate the water activity more accurately. The modified model was experimentally examined in stimulated reprocessing solutions. It is concluded that the modified model was suitable for water activity, but further improvement was needed for the activity evaluation of nitric acid in order to calculate the nitrate activity

  14. Development and Implementation of Efficiency-Improving Analysis Methods for the SAGE III on ISS Thermal Model Originating

    Science.gov (United States)

    Liles, Kaitlin; Amundsen, Ruth; Davis, Warren; Scola, Salvatore; Tobin, Steven; McLeod, Shawn; Mannu, Sergio; Guglielmo, Corrado; Moeller, Timothy

    2013-01-01

    The Stratospheric Aerosol and Gas Experiment III (SAGE III) instrument is the fifth in a series of instruments developed for monitoring aerosols and gaseous constituents in the stratosphere and troposphere. SAGE III will be delivered to the International Space Station (ISS) via the SpaceX Dragon vehicle in 2015. A detailed thermal model of the SAGE III payload has been developed in Thermal Desktop (TD). Several novel methods have been implemented to facilitate efficient payload-level thermal analysis, including the use of a design of experiments (DOE) methodology to determine the worst-case orbits for SAGE III while on ISS, use of TD assemblies to move payloads from the Dragon trunk to the Enhanced Operational Transfer Platform (EOTP) to its final home on the Expedite the Processing of Experiments to Space Station (ExPRESS) Logistics Carrier (ELC)-4, incorporation of older models in varying unit sets, ability to change units easily (including hardcoded logic blocks), case-based logic to facilitate activating heaters and active elements for varying scenarios within a single model, incorporation of several coordinate frames to easily map to structural models with differing geometries and locations, and streamlined results processing using an Excel-based text file plotter developed in-house at LaRC. This document presents an overview of the SAGE III thermal model and describes the development and implementation of these efficiency-improving analysis methods.

  15. Chemical analysis of simulated high level waste glasses to support stage III sulfate solubility modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K. M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-03-17

    The U.S. Department of Energy (DOE), Office of Environmental Management (EM) is sponsoring an international, collaborative project to develop a fundamental model for sulfate solubility in nuclear waste glass. The solubility of sulfate has a significant impact on the achievable waste loading for nuclear waste forms within the DOE complex. These wastes can contain relatively high concentrations of sulfate, which has low solubility in borosilicate glass. This is a significant issue for low-activity waste (LAW) glass and is projected to have a major impact on the Hanford Tank Waste Treatment and Immobilization Plant (WTP). Sulfate solubility has also been a limiting factor for recent high level waste (HLW) sludge processed at the Savannah River Site (SRS) Defense Waste Processing Facility (DWPF). The low solubility of sulfate in glass, along with melter and off-gas corrosion constraints, dictate that the waste be blended with lower sulfate concentration waste sources or washed to remove sulfate prior to vitrification. The development of enhanced borosilicate glass compositions with improved sulfate solubility will allow for higher waste loadings and accelerate mission completion.The objective of the current scope being pursued by SHU is to mature the sulfate solubility model to the point where it can be used to guide glass composition development for DWPF and WTP, allowing for enhanced waste loadings and waste throughput at these facilities. A series of targeted glass compositions was selected to resolve data gaps in the model and is identified as Stage III. SHU fabricated these glasses and sent samples to SRNL for chemical composition analysis. SHU will use the resulting data to enhance the sulfate solubility model and resolve any deficiencies. In this report, SRNL provides chemical analyses for the Stage III, simulated HLW glasses fabricated by SHU in support of the sulfate solubility model development.

  16. Pedestal Temperature Model for Type III ELMy H-mode Plasma

    International Nuclear Information System (INIS)

    Buangam, W.; Suwanna, S.; Onjun, T.; Poolyarat, N.; Picha, R.; Singhsomroje, W.

    2009-07-01

    Full text: It is widely known that the improved performance of H-mode plasma results mainly from a formation of the pedestal, which is a narrow region of strong pressure gradient near the edge of plasma. A predictive capability for the conditions at the top of the pedestal is important, especially for predictive simulations of future experiments. New models for predicting the temperature values at the top of the pedestal for type III ELMy H-mode plasma are developed by using two different approaches: a theory-based approaches and an empirical approach. For a theory-based approach, a model is developed based on the calculation of thermal energy in the pedestal region and on accepted scaling laws of energy confinement time. For an empirical model, a scaling law for pedestal temperature in terms of plasma controlled parameters, such as plasma current, magnetic field, heating power, is deduced from experimental data. Predictions from these models are compared with experimental data from the Pedestal International Database. Statistical quantities, such as Root-Mean Square Error (RMSE) and offset values, are computed to quantify the predictive capability of the models. It is found that the theory-based model predicts the pedestal temperature values moderately well yielding RMSE between 30% and 40%. The IPB98(y,3) scaling law yields with best agreement with RMSE of 30.4%. The empirical model predicts the pedestal temperature value with better agreement, yield RMSE of 25.9%

  17. A nonequilibrium model for reactive contaminant transport through fractured porous media: Model development and semianalytical solution

    Science.gov (United States)

    Joshi, Nitin; Ojha, C. S. P.; Sharma, P. K.

    2012-10-01

    In this study a conceptual model that accounts for the effects of nonequilibrium contaminant transport in a fractured porous media is developed. Present model accounts for both physical and sorption nonequilibrium. Analytical solution was developed using the Laplace transform technique, which was then numerically inverted to obtain solute concentration in the fracture matrix system. The semianalytical solution developed here can incorporate both semi-infinite and finite fracture matrix extent. In addition, the model can account for flexible boundary conditions and nonzero initial condition in the fracture matrix system. The present semianalytical solution was validated against the existing analytical solutions for the fracture matrix system. In order to differentiate between various sorption/transport mechanism different cases of sorption and mass transfer were analyzed by comparing the breakthrough curves and temporal moments. It was found that significant differences in the signature of sorption and mass transfer exists. Applicability of the developed model was evaluated by simulating the published experimental data of Calcium and Strontium transport in a single fracture. The present model simulated the experimental data reasonably well in comparison to the model based on equilibrium sorption assumption in fracture matrix system, and multi rate mass transfer model.

  18. A potential model for sodium chloride solutions based on the TIP4P/2005 water model

    Science.gov (United States)

    Benavides, A. L.; Portillo, M. A.; Chamorro, V. C.; Espinosa, J. R.; Abascal, J. L. F.; Vega, C.

    2017-09-01

    Despite considerable efforts over more than two decades, our knowledge of the interactions in electrolyte solutions is not yet satisfactory. Not even one of the most simple and important aqueous solutions, NaCl(aq), escapes this assertion. A requisite for the development of a force field for any water solution is the availability of a good model for water. Despite the fact that TIP4P/2005 seems to fulfill the requirement, little work has been devoted to build a force field based on TIP4P/2005. In this work, we try to fill this gap for NaCl(aq). After unsuccessful attempts to produce accurate predictions for a wide range of properties using unity ionic charges, we decided to follow recent suggestions indicating that the charges should be scaled in the ionic solution. In this way, we have been able to develop a satisfactory non-polarizable force field for NaCl(aq). We evaluate a number of thermodynamic properties of the solution (equation of state, maximum in density, enthalpies of solution, activity coefficients, radial distribution functions, solubility, surface tension, diffusion coefficients, and viscosity). Overall the results for the solution are very good. An important achievement of our model is that it also accounts for the dynamical properties of the solution, a test for which the force fields so far proposed failed. The same is true for the solubility and for the maximum in density where the model describes the experimental results almost quantitatively. The price to pay is that the model is not so good at describing NaCl in the solid phase, although the results for several properties (density and melting temperature) are still acceptable. We conclude that the scaling of the charges improves the overall description of NaCl aqueous solutions when the polarization is not included.

  19. Time-dependent density functional theory/discrete reaction field spectra of open shell systems: The visual spectrum of [FeIII(PyPepS)2]- in aqueous solution.

    Science.gov (United States)

    van Duijnen, Piet Th; Greene, Shannon N; Richards, Nigel G J

    2007-07-28

    We report the calculated visible spectrum of [FeIII(PyPepS)2]- in aqueous solution. From all-classical molecular dynamics simulations on the solute and 200 water molecules with a polarizable force field, 25 solute/solvent configurations were chosen at random from a 50 ps production run and subjected the systems to calculations using time-dependent density functional theory (TD-DFT) for the solute, combined with a solvation model in which the water molecules carry charges and polarizabilities. In each calculation the first 60 excited states were collected in order to span the experimental spectrum. Since the solute has a doublet ground state several excitations to states are of type "three electrons in three orbitals," each of which gives rise to a manifold of a quartet and two doublet states which cannot properly be represented by single Slater determinants. We applied a tentative scheme to analyze this type of spin contamination in terms of Delta and Delta transitions between the same orbital pairs. Assuming the associated states as pure single determinants obtained from restricted calculations, we construct conformation state functions (CFSs), i.e., eigenfunctions of the Hamiltonian Sz and S2, for the two doublets and the quartet for each Delta,Delta pair, the necessary parameters coming from regular and spin-flip calculations. It appears that the lower final states remain where they were originally calculated, while the higher states move up by some tenths of an eV. In this case filtering out these higher states gives a spectrum that compares very well with experiment, but nevertheless we suggest investigating a possible (re)formulation of TD-DFT in terms of CFSs rather than determinants.

  20. Reactivity of the uranium (U(IV)/U(VI)) and the plutonium (Pu(III)/Pu(IV)) in nitric aqueous solution under ultrasound; De l'influence des ultrasons sur la reactivite de l'uranium (U(IV)/U(VI)) et du plutonium (PU(III)/PU(IV)) en solution aqueuse nitrique

    Energy Technology Data Exchange (ETDEWEB)

    Venault, L

    1998-07-01

    To minimize the volumes of solid waste and industrial effluents generated at the end of cycle, particularly in the spent nuclear fuel reprocessing industry, research is currently under way on so-called innovative processes, designed to induce chemical reactions without adding reagent to the media. Among these processes, the use of ultrasound can prove advantageous, and the purpose of this study is to assess accurately the potential for its application. In the present context, this work shows that the transmission of an ultrasonic wave in aqueous nitric acid solution leads to: the accumulation of nitrous acid in solution, until a steady-sate concentration is reached; the removal of nitrogen monoxide and nitrogen dioxide in the gas stream. The initial kinetics of the formation of HNO{sub 2} in solution was quantified as a function of the nitric acid concentration and the ultrasound intensity. It was also shown than an excess of nitrous acid in nitric solution decomposes under the effect of ultrasound. It is also possible to accumulate hydrogen peroxide in solution during the ultrasonic irradiation of aqueous nitric acid solutions in the presence of a chemical species (N{sub 2}H{sub 5}{sup +}, NH{sub 2}SO{sub 3}H...) which reacts rapidly with HNO{sub 2}, preventing the reduction of H{sub 2}O{sub 2} by HNO{sub 2}. The mechanisms of HNO{sub 2} formation and decomposition, and the mechanism of H{sub 2}O{sub 2} formation during the ultrasonic irradiation of aqueous nitric acid solutions, are presented. Control of H{sub 2}O{sub 2} or HNO{sub 2} in a nitric acid medium under the effect of an ultrasonic wave can be exploited to control redox reactions of uranium and plutonium ions, particularly with respect to the oxidation of U and Pu (U(IV){yields} U(IV) or Pu(III) {yields} Pu(IV)) and the reduction of Pu (Pu(IV){yields} Pu(III). The redox behavior of uranium and plutonium ions in aqueous nitric solution subject to an ultrasonic flux is interpreted in term of effects

  1. Method for determining microamounts of uranium in solutions from copper ores, by liquid-liquid extraction and spectrophotometry with arsenazo III.; Metodo para determinar microcantidades de uranio en disoluciones de minerales de cobre, por extraccion liquido-liquido y espectrofotometria con arsenazo III

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, B.

    1972-07-01

    A spectrophotometric method is described for determining small amounts of uranium in aqueous solutions from copper ores. Uranium is quantitatively separated in a single extraction by a solution of tri-n-octylphosphine oxide in benzene, using ethylendiaminetetracetic acid and sodium fluoride as complexing agents, for improving the selectivity of the procedure. An aliquot of the extract is diluted with a hydrocolloidal solution of arsenazo III. Optical density is measured at 650 nm. (Author) 3 refs.

  2. Breeding novel solutions in the brain: a model of Darwinian neurodynamics [version 1; referees: 1 approved, 2 approved with reservations

    Directory of Open Access Journals (Sweden)

    András Szilágyi

    2016-09-01

    Full Text Available Background: The fact that surplus connections and neurons are pruned during development is well established. We complement this selectionist picture by a proof-of-principle model of evolutionary search in the brain, that accounts for new variations in theory space. We present a model for Darwinian evolutionary search for candidate solutions in the brain. Methods: We combine known components of the brain – recurrent neural networks (acting as attractors, the action selection loop and implicit working memory – to provide the appropriate Darwinian architecture. We employ a population of attractor networks with palimpsest memory. The action selection loop is employed with winners-share-all dynamics to select for candidate solutions that are transiently stored in implicit working memory. Results: We document two processes: selection of stored solutions and evolutionary search for novel solutions. During the replication of candidate solutions attractor networks occasionally produce recombinant patterns, increasing variation on which selection can act. Combinatorial search acts on multiplying units (activity patterns with hereditary variation and novel variants appear due to (i noisy recall of patterns from the attractor networks, (ii noise during transmission of candidate solutions as messages between networks, and, (iii spontaneously generated, untrained patterns in spurious attractors. Conclusions: Attractor dynamics of recurrent neural networks can be used to model Darwinian search. The proposed architecture can be used for fast search among stored solutions (by selection and for evolutionary search when novel candidate solutions are generated in successive iterations. Since all the suggested components are present in advanced nervous systems, we hypothesize that the brain could implement a truly evolutionary combinatorial search system, capable of generating novel variants.

  3. Breeding novel solutions in the brain: a model of Darwinian neurodynamics [version 2; referees: 1 approved, 2 approved with reservations

    Directory of Open Access Journals (Sweden)

    András Szilágyi

    2017-06-01

    Full Text Available Background: The fact that surplus connections and neurons are pruned during development is well established. We complement this selectionist picture by a proof-of-principle model of evolutionary search in the brain, that accounts for new variations in theory space. We present a model for Darwinian evolutionary search for candidate solutions in the brain. Methods: We combine known components of the brain – recurrent neural networks (acting as attractors, the action selection loop and implicit working memory – to provide the appropriate Darwinian architecture. We employ a population of attractor networks with palimpsest memory. The action selection loop is employed with winners-share-all dynamics to select for candidate solutions that are transiently stored in implicit working memory. Results: We document two processes: selection of stored solutions and evolutionary search for novel solutions. During the replication of candidate solutions attractor networks occasionally produce recombinant patterns, increasing variation on which selection can act. Combinatorial search acts on multiplying units (activity patterns with hereditary variation and novel variants appear due to (i noisy recall of patterns from the attractor networks, (ii noise during transmission of candidate solutions as messages between networks, and, (iii spontaneously generated, untrained patterns in spurious attractors. Conclusions: Attractor dynamics of recurrent neural networks can be used to model Darwinian search. The proposed architecture can be used for fast search among stored solutions (by selection and for evolutionary search when novel candidate solutions are generated in successive iterations. Since all the suggested components are present in advanced nervous systems, we hypothesize that the brain could implement a truly evolutionary combinatorial search system, capable of generating novel variants.

  4. PARDISEKO III

    International Nuclear Information System (INIS)

    Jordan, H.; Sack, C.

    1975-05-01

    This report gives a detailed description of the latest version of the PARDISEKO code, PARDISEKO III, with particular emphasis on the numerical and programming methods employed. The physical model and its relation to nuclear safety as well as a description and the results of confirming experiments are treated in detail in the Karlsruhe Nuclear Research Centre report KFK-1989. (orig.) [de

  5. GLOBAL STABILITY AND PERIODIC SOLUTION OF A VIRAL DYNAMIC MODEL

    Directory of Open Access Journals (Sweden)

    Erhan COŞKUN

    2009-02-01

    Full Text Available Abstract:In this paper, we consider the classical viral dynamic mathematical model. Global dynamics of the model is rigorously established. We prove that, if the basic reproduction number, the HIV infection is cleared from the T-cell population; if , the HIV infection persists. For an open set of parameter values, the chronic-infection equilibrium can be unstable and periodic solutions may exist. We establish parameter regions for which is globally stable. Keywords: Global stability, HIV infection; CD4+ T cells; Periodic solution Mathematics Subject Classifications (2000: 65L10, 34B05 BİR VİRAL DİNAMİK MODELİN GLOBAL KARARLILIĞI VE PERİYODİK ÇÖZÜMÜ Özet: Bu makalede klasik viral dinamik modeli ele aldık. Modelin global dinamikleri oluşturuldu. Eğer temel üretim sayısı olur ise HIV enfeksiyonu T hücre nüfusundan çıkartılır, eğer olursa HIV enfeksiyonu çıkartılamaz. Parametre değerlerinin açık bir kümesi için kronik enfeksiyon dengesi kararsızdır ve periyodik çözüm oluşabilir. ın global kararlı olduğu parametre bölgeleri oluşturuldu. Anahtar Kelimeler: Global Kararlılık, HIV enfeksiyon, CD4+ T hücreler, Periyodik çözüm

  6. a Procedural Solution to Model Roman Masonry Structures

    Science.gov (United States)

    Cappellini, V.; Saleri, R.; Stefani, C.; Nony, N.; De Luca, L.

    2013-07-01

    The paper will describe a new approach based on the development of a procedural modelling methodology for archaeological data representation. This is a custom-designed solution based on the recognition of the rules belonging to the construction methods used in roman times. We have conceived a tool for 3D reconstruction of masonry structures starting from photogrammetric surveying. Our protocol considers different steps. Firstly we have focused on the classification of opus based on the basic interconnections that can lead to a descriptive system used for their unequivocal identification and design. Secondly, we have chosen an automatic, accurate, flexible and open-source photogrammetric pipeline named Pastis Apero Micmac - PAM, developed by IGN (Paris). We have employed it to generate ortho-images from non-oriented images, using a user-friendly interface implemented by CNRS Marseille (France). Thirdly, the masonry elements are created in parametric and interactive way, and finally they are adapted to the photogrammetric data. The presented application, currently under construction, is developed with an open source programming language called Processing, useful for visual, animated or static, 2D or 3D, interactive creations. Using this computer language, a Java environment has been developed. Therefore, even if the procedural modelling reveals an accuracy level inferior to the one obtained by manual modelling (brick by brick), this method can be useful when taking into account the static evaluation on buildings (requiring quantitative aspects) and metric measures for restoration purposes.

  7. A PROCEDURAL SOLUTION TO MODEL ROMAN MASONRY STRUCTURES

    Directory of Open Access Journals (Sweden)

    V. Cappellini

    2013-07-01

    Full Text Available The paper will describe a new approach based on the development of a procedural modelling methodology for archaeological data representation. This is a custom-designed solution based on the recognition of the rules belonging to the construction methods used in roman times. We have conceived a tool for 3D reconstruction of masonry structures starting from photogrammetric surveying. Our protocol considers different steps. Firstly we have focused on the classification of opus based on the basic interconnections that can lead to a descriptive system used for their unequivocal identification and design. Secondly, we have chosen an automatic, accurate, flexible and open-source photogrammetric pipeline named Pastis Apero Micmac – PAM, developed by IGN (Paris. We have employed it to generate ortho-images from non-oriented images, using a user-friendly interface implemented by CNRS Marseille (France. Thirdly, the masonry elements are created in parametric and interactive way, and finally they are adapted to the photogrammetric data. The presented application, currently under construction, is developed with an open source programming language called Processing, useful for visual, animated or static, 2D or 3D, interactive creations. Using this computer language, a Java environment has been developed. Therefore, even if the procedural modelling reveals an accuracy level inferior to the one obtained by manual modelling (brick by brick, this method can be useful when taking into account the static evaluation on buildings (requiring quantitative aspects and metric measures for restoration purposes.

  8. Cnoidal waves as solutions of the nonlinear liquid drop model

    International Nuclear Information System (INIS)

    Ludu, Andrei; Sandulescu, Aureliu; Greiner Walter

    1997-01-01

    By introducing in the hydrodynamic model, i.e. in the hydrodynamic equation and the corresponding boundary conditions, the higher order terms in the deviation of the shape, we obtain in the second order the Korteweg de Vries equations (KdV). The same equation is obtained by introducing in the liquid drop model (LDM), i.e. in the kinetic, surface and Coulomb terms, the higher terms in the second order. The KdV equation has the cnoidal waves as steady-state solutions. These waves could describe the small anharmonic vibrations of spherical nuclei up to the solitary waves. The solitons could describe the preformation of clusters on the nuclear surface. We apply this nonlinear liquid drop model to the alpha formation in heavy nuclei. We find an additional minimum in the total energy of such systems, corresponding to the solitons as clusters on the nuclear surface. By introducing the shell effects we choose this minimum to be degenerated with the ground state. The spectroscopic factor is given by ratio of the square amplitudes in the two minima. (authors)

  9. Nonperturbative Time Dependent Solution of a Simple Ionization Model

    Science.gov (United States)

    Costin, Ovidiu; Costin, Rodica D.; Lebowitz, Joel L.

    2018-02-01

    We present a non-perturbative solution of the Schrödinger equation {iψ_t(t,x)=-ψ_{xx}(t,x)-2(1 +α sinω t) δ(x)ψ(t,x)} , written in units in which \\hbar=2m=1, describing the ionization of a model atom by a parametric oscillating potential. This model has been studied extensively by many authors, including us. It has surprisingly many features in common with those observed in the ionization of real atoms and emission by solids, subjected to microwave or laser radiation. Here we use new mathematical methods to go beyond previous investigations and to provide a complete and rigorous analysis of this system. We obtain the Borel-resummed transseries (multi-instanton expansion) valid for all values of α, ω, t for the wave function, ionization probability, and energy distribution of the emitted electrons, the latter not studied previously for this model. We show that for large t and small α the energy distribution has sharp peaks at energies which are multiples of ω, corresponding to photon capture. We obtain small α expansions that converge for all t, unlike those of standard perturbation theory. We expect that our analysis will serve as a basis for treating more realistic systems revealing a form of universality in different emission processes.

  10. Numerical solution of High-kappa model of superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Karamikhova, R. [Univ. of Texas, Arlington, TX (United States)

    1996-12-31

    We present formulation and finite element approximations of High-kappa model of superconductivity which is valid in the high {kappa}, high magnetic field setting and accounts for applied magnetic field and current. Major part of this work deals with steady-state and dynamic computational experiments which illustrate our theoretical results numerically. In our experiments we use Galerkin discretization in space along with Backward-Euler and Crank-Nicolson schemes in time. We show that for moderate values of {kappa}, steady states of the model system, computed using the High-kappa model, are virtually identical with results computed using the full Ginzburg-Landau (G-L) equations. We illustrate numerically optimal rates of convergence in space and time for the L{sup 2} and H{sup 1} norms of the error in the High-kappa solution. Finally, our numerical approximations demonstrate some well-known experimentally observed properties of high-temperature superconductors, such as appearance of vortices, effects of increasing the applied magnetic field and the sample size, and the effect of applied constant current.

  11. Global well-posedness and asymptotic behavior of the solutions to non-classical thermo(visco)elastic models

    CERN Document Server

    Qin, Yuming

    2016-01-01

    This book presents recent findings on the global existence, the uniqueness and the large-time behavior of global solutions of thermo(vis)coelastic systems and related models arising in physics, mechanics and materials science such as thermoviscoelastic systems, thermoelastic systems of types II and III, as well as Timoshenko-type systems with past history. Part of the book is based on the research conducted by the authors and their collaborators in recent years. The book will benefit interested beginners in the field and experts alike.

  12. Physical Property Modeling of Concentrated Cesium Eluate Solutions, Part I - Derivation of Models

    Energy Technology Data Exchange (ETDEWEB)

    Choi, A.S.; Pierce, R. A.; Edwards, T. B.; Calloway, T. B.

    2005-09-15

    Major analytes projected to be present in the Hanford Waste Treatment Plant cesium ion-exchange eluate solutions were identified from the available analytical data collected during radioactive bench-scale runs, and a test matrix of cesium eluate solutions was designed within the bounding concentrations of those analytes. A computer model simulating the semi-batch evaporation of cesium eluate solutions was run in conjunction with a multi-electrolyte aqueous system database to calculate the physical properties of each test matrix solution concentrated to the target endpoints of 80% and 100% saturation. The calculated physical properties were analyzed statistically and fitted into mathematical expressions for the bulk solubility, density, viscosity, heat capacity and volume reduction factor as a function of temperature and concentration of each major analyte in the eluate feed. The R{sup 2} of the resulting physical property models ranged from 0.89 to 0.99.

  13. Modelling Difficulties and Their Overcoming Strategies in the Solution of a Modelling Problem

    Science.gov (United States)

    Dede, Ayse Tekin

    2016-01-01

    The purpose of the study is to reveal the elementary mathematics student teachers' difficulties encountered in the solution of a modelling problem, the strategies to overcome those difficulties and whether the strategies worked or not. Nineteen student teachers solved the modelling problem in their four or five-person groups, and the video records…

  14. New exact travelling wave solutions of nonlinear physical models

    International Nuclear Information System (INIS)

    Bekir, Ahmet; Cevikel, Adem C.

    2009-01-01

    In this work, we established abundant travelling wave solutions for some nonlinear evolution equations. This method was used to construct travelling wave solutions of nonlinear evolution equations. The travelling wave solutions are expressed by the hyperbolic functions, the trigonometric functions and the rational functions. The ((G ' )/G )-expansion method presents a wider applicability for handling nonlinear wave equations.

  15. Self-similar solution for coupled thermal electromagnetic model ...

    African Journals Online (AJOL)

    An investigation into the existence and uniqueness solution of self-similar solution for the coupled Maxwell and Pennes Bio-heat equations have been done. Criteria for existence and uniqueness of self-similar solution are revealed in the consequent theorems. Journal of the Nigerian Association of Mathematical Physics ...

  16. Soliton-type solutions for two models in mathematical physics

    Science.gov (United States)

    Al-Ghafri, K. S.

    2018-04-01

    In this paper, the generalised Klein-Gordon and Kadomtsov-Petviashvili Benjamin-Bona-Mahony equations with power law nonlinearity are investigated. Our study is based on reducing the form of both equations to a first-order ordinary differential equation having the travelling wave solutions. Subsequently, soliton-type solutions such as compacton and solitary pattern solutions are obtained analytically. Additionally, the peaked soliton has been derived where it exists under a specific restrictions. In addition to the soliton solutions, the mathematical method which is exploited in this work also creates a few amount of travelling wave solutions.

  17. Numerical modeling of optical coherent transient processes with complex configurations-III: Noisy laser source

    International Nuclear Information System (INIS)

    Chang Tiejun; Tian Mingzhen

    2007-01-01

    A previously developed numerical model based on Maxwell-Bloch equations was modified to simulate optical coherent transient and spectral hole burning processes with noisy laser sources. Random walk phase noise was simulated using laser-phase sequences generated numerically according to the normal distribution of the phase shift. The noise model was tested by comparing the simulated spectral hole burning effect with the analytical solution. The noise effects on a few typical optical coherence transient processes were investigated using this numerical tool. Flicker and random walk frequency noises were considered in accumulation process

  18. Distributed behavior model orchestration in cognitive internet of things solution

    Science.gov (United States)

    Li, Chung-Sheng; Darema, Frederica; Chang, Victor

    2018-04-01

    The introduction of pervasive and ubiquitous instrumentation within Internet of Things (IoT) leads to unprecedented real-time visibility (instrumentation), optimization and fault-tolerance of the power grid, traffic, transportation, water, oil & gas, to give some examples. Interconnecting those distinct physical, people, and business worlds through ubiquitous instrumentation, even though still in its embryonic stage, has the potential to create intelligent IoT solutions that are much greener, more efficient, comfortable, and safer. An essential new direction to materialize this potential is to develop comprehensive models of such systems dynamically interacting with the instrumentation in a feed-back control loop. We describe here opportunities in applying cognitive computing on interconnected and instrumented worlds (Cognitive Internet of Things-CIoT) and call out the system-of-systems trend among distinct but interdependent worlds, and Dynamic Data-Driven Application System (DDDAS)-based methods for advanced understanding, analysis, and real-time decision support capabilities with the accuracy of full-scale models.

  19. Carbon Cloth Supported Nano-Mg(OH)2 for the Enrichment and Recovery of Rare Earth Element Eu(III) From Aqueous Solution.

    Science.gov (United States)

    Li, Yinong; Tian, Chen; Liu, Weizhen; Xu, Si; Xu, Yunyun; Cui, Rongxin; Lin, Zhang

    2018-01-01

    Nano-Mg(OH) 2 is attracting great attention as adsorbent for pre-concentration and recovery of rare earth elements (REEs) from low-concentration solution, due to its superior removal efficiency for REEs and environmental friendliness. However, the nanoparticles also cause some severe problems during application, including aggregation, blockage in fixed-bed column, as well as the difficulties in separation and reuse. Herein, in order to avoid the mentioned problems, a carbon cloth (CC) supported nano-Mg(OH) 2 (nano-Mg(OH) 2 @CC) was synthesized by electrodeposition. The X-ray diffraction and scanning electron microscopy analysis demonstrated that the interlaced nano-sheet of Mg(OH) 2 grew firmly and uniformly on the surface of carbon cloth fibers. Batch adsorption experiments of Eu(III) indicated that the nano-Mg(OH) 2 @CC composite maintained the excellent adsorption performance of nano-Mg(OH) 2 toward Eu(III). After adsorption, the Eu containing composite was calcined under nitrogen atmosphere. The content of Eu 2 O 3 in the calcined material was as high as 99.66%. Fixed-bed column experiments indicated that no blockage for Mg(OH) 2 @CC composite was observed during the treatment, while the complete blockage of occurred to nano-Mg(OH) 2 at an effluent volume of 240 mL. Moreover, the removal efficiency of Mg(OH) 2 @CC was still higher than 90% until 4,200 mL of effluent volume. This work provides a promising method for feasible application of nanoadsorbents in fixed-bed process to recycle low-concentration REEs from wastewater.

  20. Mathematical modelling and numerical solution of swelling of cartilaginous tissues. Part II: Mixed hybrid finite element solution

    NARCIS (Netherlands)

    Malakpoor, K.; Kaasschieter, E.F.; Huyghe, J.M.R.J.

    2007-01-01

    The swelling and shrinkage of biological tissues are modelled by a four-component mixture theory [J.M. Huyghe and J.D. Janssen, Int. J. Engng. Sci. 35 (1997) 793-802; K. Malakpoor, E.F. Kaasschieter and J.M. Huyghe, Mathematical modelling and numerical solution of swelling of cartilaginous tissues.

  1. Development of a hydrogen diffusion gothic model of MARK III-containment

    Energy Technology Data Exchange (ETDEWEB)

    Hung, Zhen-Yu [National Tsing Hua Univ., Dept. of Engineering and System Science, Hsinchu, Taiwan (China); Huang, Yu-Kai; Pei, Bau-Shei [National Tsing Hua Univ., Inst. of Nuclear Engineering Science, Hsinchu, Taiwan (China); Hsu, Wen-Sheng [National Tsing Hua Univ., Nuclear Science and Technology Development Center, Hsinchu, Taiwan (China); Chen, Yen-Shu [Institute of Nuclear Energy Research, Nuclear Engineering Div., Taiyuan County, Taiwan (China)

    2015-07-15

    The accident that occurred at the Fukushima Daiichi Nuclear Power Plant is a reminder of the danger of hydrogen explosion within a reactor building. Sufficiently high hydrogen concentration may cause an explosion that could damage the structure, resulting in the release of radioisotopes into the environment. In the first part of this study, a gas diffusion experiment was performed, in which helium was used as the working fluid. An analytical model was also developed using the GOTHIC code and the model predictions of the helium distribution were found to be in good agreement with the experimentally measured data. In the second part of the study, a model of the Mark III containment of the Kuosheng Plant in Taiwan was developed, and was applied to a long-term station blackout (SBO) accident similar to that of the Fukushima plant. The hydrogen generation was calculated using the Modular Accident Analysis Program and was used as the boundary condition for the GOTHIC containment model. The simulation results revealed that the hydrogen concentration at the first floor of the wetwell in the containment reached 4 % 9.7 h after the accident. This indicated the possibility of dangerous conditions inside the containment. Although active hydrogen ignitors are already installed in the Kuosheng plant, the findings of this study indicate that it may be necessary to add passive recombiners to prolong an SBO event.

  2. Development of a hydrogen diffusion gothic model of MARK III-containment

    International Nuclear Information System (INIS)

    Hung, Zhen-Yu; Huang, Yu-Kai; Pei, Bau-Shei; Hsu, Wen-Sheng; Chen, Yen-Shu

    2015-01-01

    The accident that occurred at the Fukushima Daiichi Nuclear Power Plant is a reminder of the danger of hydrogen explosion within a reactor building. Sufficiently high hydrogen concentration may cause an explosion that could damage the structure, resulting in the release of radioisotopes into the environment. In the first part of this study, a gas diffusion experiment was performed, in which helium was used as the working fluid. An analytical model was also developed using the GOTHIC code and the model predictions of the helium distribution were found to be in good agreement with the experimentally measured data. In the second part of the study, a model of the Mark III containment of the Kuosheng Plant in Taiwan was developed, and was applied to a long-term station blackout (SBO) accident similar to that of the Fukushima plant. The hydrogen generation was calculated using the Modular Accident Analysis Program and was used as the boundary condition for the GOTHIC containment model. The simulation results revealed that the hydrogen concentration at the first floor of the wetwell in the containment reached 4 % 9.7 h after the accident. This indicated the possibility of dangerous conditions inside the containment. Although active hydrogen ignitors are already installed in the Kuosheng plant, the findings of this study indicate that it may be necessary to add passive recombiners to prolong an SBO event.

  3. Divertor modelling for conceptual studies of tokamak fusion reactor FDS-III

    International Nuclear Information System (INIS)

    Chen Yiping; Liu Songlin

    2010-01-01

    Divertor modelling for the conceptual studies of tokamak fusion reactor FDS-III was carried out by using the edge plasma code package B2.5-Eirene (SOLPS5.0). The modelling was performed by taking real MHD equilibrium and divertor geometry of the reactor into account. The profiles of plasma temperature, density and heat fluxes in the computational region and at the target plates have been obtained. The modelling results show that, with the fusion power P fu =2.6 GW and the edge density N edge =6.0x10 19 l/m 3 , the peak values of electron and ion heat fluxes at the outer target plate of divertor are respectively 93.92 MW/m 2 and 58.50 MW/m 2 . According to the modelling results it is suggested that some methods for reducing the heat fluxes at the target plates should be used in order to get acceptable level of power flux at the target plates for the divertor design of the reactor.

  4. Selective extraction of U(VI), Th(IV), and La(III) from acidic matrix solutions and environmental samples using chemically modified Amberlite XAD-16 resin

    Energy Technology Data Exchange (ETDEWEB)

    Prabhakaran, D.; Subramanian, M.S. [Department of Chemistry, Indian Institute of Technology, 600 036, Chennai (India)

    2004-06-01

    A new grafted polymer has been developed by the chemical modification of Amberlite XAD-16 (AXAD-16) polymeric matrix with [(2-dihydroxyarsinoylphenylamino)methyl]phosphonic acid (AXAD-16-AsP). The modified polymer was characterized by a combination of {sup 13}C CPMAS and {sup 31}P solid-state NMR, Fourier transform-NIR-FIR-Raman spectroscopy, CHNPS elemental analysis, and thermogravimetric analysis (TGA). The distribution studies for the extraction of U(VI), Th(IV), and La(III) from acidic solutions were performed using an AXAD-16-AsP-packed chromatographic column. The influences of various physiochemical parameters on analyte recovery were optimized by both static and dynamic methods. Accordingly, even under high acidities (>4 M), good distribution ratio (D) values (10{sup 2}-10{sup 4}) were achieved for all the analytes. Metal ion desorption was effective using 1 mol L{sup -1} (NH{sub 4}){sub 2}CO{sub 3}. From kinetic studies, a time duration of <15 min was sufficient for complete metal ion saturation of the resin phase. The maximum metal sorption capacities were found to be 0.25, 0.13, and 1.49 mmol g{sup -1} for U(VI); 0.47, 0.39, and 1.40 mmol g{sup -1} for Th(IV); and 1.44, 1.48, and 1.12 mmol g{sup -1} for La(III), in the presence of 2 mol L{sup -1} HNO{sub 3}, 2 mol L{sup -1} HCl, and under pH conditions, respectively. The analyte selectivity of the grafted polymer was tested in terms of interfering species tolerance studies. The system showed an enrichment factor of 365, 300, and 270 for U(VI), Th(IV), and La(III), and the limit of analyte detection was in the range of 18-23 ng mL{sup -1}. The practical applicability of the polymer was tested with synthetic nuclear spent fuel and seawater mixtures, natural water, and geological samples. The RSD of the total analytical procedure was within 4.9%, thus confirming the reliability of the developed method. (orig.)

  5. Study of the influence of radiolysis on the stability of plutonium III. Application to a heterogeneous medium formed by a nitric solution of ferrous ions and an organic solution of trilauryl-ammonium nitrate

    International Nuclear Information System (INIS)

    Fourmaux, J.M.

    1980-01-01

    The objective of this research thesis is to study the behaviour of plutonium 238 in media which are commonly used to isolate it from other elements such as neptunium and fission products created during the neutron irradiation of the neptunium 237 isotope. As plutonium 238 purification processes are all based on redox reaction, it is essential to know the influence of radiolysis on the redox behaviour, and on the distribution coefficients of this isotope in solutions used during its separation from the neptunium 237 isotope. Therefore, it is necessary to study the influence of radiolysis on the stability of plutonium with an oxidation III level. As this extraction is performed by an organic solvent (trilauryl-ammonium nitrate), this study addresses the behaviour of plutonium in an emulsion formed by this solvent and the nitric aqueous solution previously adjusted in terms of Fe 2+ ions. After a brief recall of bibliographical generalities related to radiolysis, the author presents and comments the Nernst law in the case of a two-phase system (emulsion), and reports the use of this law to obtain the plutonium potential-distribution coefficient relationship. The last part reports experimental data

  6. Biosorption of chromium (VI) from aqueous solutions and ANN modelling.

    Science.gov (United States)

    Nag, Soma; Mondal, Abhijit; Bar, Nirjhar; Das, Sudip Kumar

    2017-08-01

    The use of sustainable, green and biodegradable natural wastes for Cr(VI) detoxification from the contaminated wastewater is considered as a challenging issue. The present research is aimed to assess the effectiveness of seven different natural biomaterials, such as jackfruit leaf, mango leaf, onion peel, garlic peel, bamboo leaf, acid treated rubber leaf and coconut shell powder, for Cr(VI) eradication from aqueous solution by biosorption process. Characterizations were conducted using SEM, BET and FTIR spectroscopy. The effects of operating parameters, viz., pH, initial Cr(VI) ion concentration, adsorbent dosages, contact time and temperature on metal removal efficiency, were studied. The biosorption mechanism was described by the pseudo-second-order model and Langmuir isotherm model. The biosorption process was exothermic, spontaneous and chemical (except garlic peel) in nature. The sequence of adsorption capacity was mango leaf > jackfruit leaf > acid treated rubber leaf > onion peel > bamboo leaf > garlic peel > coconut shell with maximum Langmuir adsorption capacity of 35.7 mg g -1 for mango leaf. The treated effluent can be reused. Desorption study suggested effective reuse of the adsorbents up to three cycles, and safe disposal method of the used adsorbents suggested biodegradability and sustainability of the process by reapplication of the spent adsorbent and ultimately leading towards zero wastages. The performances of the adsorbents were verified with wastewater from electroplating industry. The scale-up study reported for industrial applications. ANN modelling using multilayer perception with gradient descent (GD) and Levenberg-Marquart (LM) algorithm had been successfully used for prediction of Cr(VI) removal efficiency. The study explores the undiscovered potential of the natural waste materials for sustainable existence of small and medium sector industries, especially in the third world countries by protecting the environment by eco-innovation.

  7. Computational model for simulation small testing launcher, technical solution

    Energy Technology Data Exchange (ETDEWEB)

    Chelaru, Teodor-Viorel, E-mail: teodor.chelaru@upb.ro [University POLITEHNICA of Bucharest - Research Center for Aeronautics and Space, Str. Ghe Polizu, nr. 1, Bucharest, Sector 1 (Romania); Cristian, Barbu, E-mail: barbucr@mta.ro [Military Technical Academy, Romania, B-dul. George Coşbuc, nr. 81-83, Bucharest, Sector 5 (Romania); Chelaru, Adrian, E-mail: achelaru@incas.ro [INCAS -National Institute for Aerospace Research Elie Carafoli, B-dul Iuliu Maniu 220, 061126, Bucharest, Sector 6 (Romania)

    2014-12-10

    The purpose of this paper is to present some aspects regarding the computational model and technical solutions for multistage suborbital launcher for testing (SLT) used to test spatial equipment and scientific measurements. The computational model consists in numerical simulation of SLT evolution for different start conditions. The launcher model presented will be with six degrees of freedom (6DOF) and variable mass. The results analysed will be the flight parameters and ballistic performances. The discussions area will focus around the technical possibility to realize a small multi-stage launcher, by recycling military rocket motors. From technical point of view, the paper is focused on national project 'Suborbital Launcher for Testing' (SLT), which is based on hybrid propulsion and control systems, obtained through an original design. Therefore, while classical suborbital sounding rockets are unguided and they use as propulsion solid fuel motor having an uncontrolled ballistic flight, SLT project is introducing a different approach, by proposing the creation of a guided suborbital launcher, which is basically a satellite launcher at a smaller scale, containing its main subsystems. This is why the project itself can be considered an intermediary step in the development of a wider range of launching systems based on hybrid propulsion technology, which may have a major impact in the future European launchers programs. SLT project, as it is shown in the title, has two major objectives: first, a short term objective, which consists in obtaining a suborbital launching system which will be able to go into service in a predictable period of time, and a long term objective that consists in the development and testing of some unconventional sub-systems which will be integrated later in the satellite launcher as a part of the European space program. This is why the technical content of the project must be carried out beyond the range of the existing suborbital

  8. Modelling solute dispersion in periodic heterogeneous porous media: Model benchmarking against intermediate scale experiments

    Science.gov (United States)

    Majdalani, Samer; Guinot, Vincent; Delenne, Carole; Gebran, Hicham

    2018-06-01

    This paper is devoted to theoretical and experimental investigations of solute dispersion in heterogeneous porous media. Dispersion in heterogenous porous media has been reported to be scale-dependent, a likely indication that the proposed dispersion models are incompletely formulated. A high quality experimental data set of breakthrough curves in periodic model heterogeneous porous media is presented. In contrast with most previously published experiments, the present experiments involve numerous replicates. This allows the statistical variability of experimental data to be accounted for. Several models are benchmarked against the data set: the Fickian-based advection-dispersion, mobile-immobile, multirate, multiple region advection dispersion models, and a newly proposed transport model based on pure advection. A salient property of the latter model is that its solutions exhibit a ballistic behaviour for small times, while tending to the Fickian behaviour for large time scales. Model performance is assessed using a novel objective function accounting for the statistical variability of the experimental data set, while putting equal emphasis on both small and large time scale behaviours. Besides being as accurate as the other models, the new purely advective model has the advantages that (i) it does not exhibit the undesirable effects associated with the usual Fickian operator (namely the infinite solute front propagation speed), and (ii) it allows dispersive transport to be simulated on every heterogeneity scale using scale-independent parameters.

  9. Stability of core–shell nanowires in selected model solutions

    International Nuclear Information System (INIS)

    Kalska-Szostko, B.; Wykowska, U.; Basa, A.; Zambrzycka, E.

    2015-01-01

    Highlights: • Stability of the core–shell nanowires in environmental solutions were tested. • The most and the least aggressive solutions were determined. • The influence of different solutions on magnetic nanowires core was found out. - Abstract: This paper presents the studies of stability of magnetic core–shell nanowires prepared by electrochemical deposition from an acidic solution containing iron in the core and modified surface layer. The obtained nanowires were tested according to their durability in distilled water, 0.01 M citric acid, 0.9% NaCl, and commercial white wine (12% alcohol). The proposed solutions were chosen in such a way as to mimic food related environment due to a possible application of nanowires as additives to, for example, packages. After 1, 2 and 3 weeks wetting in the solutions, nanoparticles were tested by Infrared Spectroscopy, Atomic Absorption Spectroscopy, Transmission Electron Microscopy and X-ray diffraction methods

  10. Stability of core–shell nanowires in selected model solutions

    Energy Technology Data Exchange (ETDEWEB)

    Kalska-Szostko, B., E-mail: kalska@uwb.edu.pl; Wykowska, U.; Basa, A.; Zambrzycka, E.

    2015-03-30

    Highlights: • Stability of the core–shell nanowires in environmental solutions were tested. • The most and the least aggressive solutions were determined. • The influence of different solutions on magnetic nanowires core was found out. - Abstract: This paper presents the studies of stability of magnetic core–shell nanowires prepared by electrochemical deposition from an acidic solution containing iron in the core and modified surface layer. The obtained nanowires were tested according to their durability in distilled water, 0.01 M citric acid, 0.9% NaCl, and commercial white wine (12% alcohol). The proposed solutions were chosen in such a way as to mimic food related environment due to a possible application of nanowires as additives to, for example, packages. After 1, 2 and 3 weeks wetting in the solutions, nanoparticles were tested by Infrared Spectroscopy, Atomic Absorption Spectroscopy, Transmission Electron Microscopy and X-ray diffraction methods.

  11. Understanding quantum measurement from the solution of dynamical models

    Energy Technology Data Exchange (ETDEWEB)

    Allahverdyan, Armen E. [Laboratoire de Physique Statistique et Systèmes Complexes, ISMANS, 44 Av. Bartholdi, 72000 Le Mans (France); Balian, Roger [Institut de Physique Théorique, CEA Saclay, 91191 Gif-sur-Yvette cedex (France); Nieuwenhuizen, Theo M., E-mail: T.M.Nieuwenhuizen@uva.nl [Center for Cosmology and Particle Physics, New York University, 4 Washington Place, New York, NY 10003 (United States)

    2013-04-15

    The quantum measurement problem, to wit, understanding why a unique outcome is obtained in each individual experiment, is currently tackled by solving models. After an introduction we review the many dynamical models proposed over the years for elucidating quantum measurements. The approaches range from standard quantum theory, relying for instance on quantum statistical mechanics or on decoherence, to quantum–classical methods, to consistent histories and to modifications of the theory. Next, a flexible and rather realistic quantum model is introduced, describing the measurement of the z-component of a spin through interaction with a magnetic memory simulated by a Curie–Weiss magnet, including N≫1 spins weakly coupled to a phonon bath. Initially prepared in a metastable paramagnetic state, it may transit to its up or down ferromagnetic state, triggered by its coupling with the tested spin, so that its magnetization acts as a pointer. A detailed solution of the dynamical equations is worked out, exhibiting several time scales. Conditions on the parameters of the model are found, which ensure that the process satisfies all the features of ideal measurements. Various imperfections of the measurement are discussed, as well as attempts of incompatible measurements. The first steps consist in the solution of the Hamiltonian dynamics for the spin-apparatus density matrix D{sup -hat} (t). Its off-diagonal blocks in a basis selected by the spin–pointer coupling, rapidly decay owing to the many degrees of freedom of the pointer. Recurrences are ruled out either by some randomness of that coupling, or by the interaction with the bath. On a longer time scale, the trend towards equilibrium of the magnet produces a final state D{sup -hat} (t{sub f}) that involves correlations between the system and the indications of the pointer, thus ensuring registration. Although D{sup -hat} (t{sub f}) has the form expected for ideal measurements, it only describes a large set of

  12. Robust and efficient solution procedures for association models

    DEFF Research Database (Denmark)

    Michelsen, Michael Locht

    2006-01-01

    Equations of state that incorporate the Wertheim association expression are more difficult to apply than conventional pressure explicit equations, because the association term is implicit and requires solution for an internal set of composition variables. In this work, we analyze the convergence...... behavior of different solution methods and demonstrate how a simple and efficient, yet globally convergent, procedure for the solution of the equation of state can be formulated....

  13. SU-F-R-10: Selecting the Optimal Solution for Multi-Objective Radiomics Model

    International Nuclear Information System (INIS)

    Zhou, Z; Folkert, M; Wang, J

    2016-01-01

    Purpose: To develop an evidential reasoning approach for selecting the optimal solution from a Pareto solution set obtained by a multi-objective radiomics model for predicting distant failure in lung SBRT. Methods: In the multi-objective radiomics model, both sensitivity and specificity are considered as the objective functions simultaneously. A Pareto solution set with many feasible solutions will be resulted from the multi-objective optimization. In this work, an optimal solution Selection methodology for Multi-Objective radiomics Learning model using the Evidential Reasoning approach (SMOLER) was proposed to select the optimal solution from the Pareto solution set. The proposed SMOLER method used the evidential reasoning approach to calculate the utility of each solution based on pre-set optimal solution selection rules. The solution with the highest utility was chosen as the optimal solution. In SMOLER, an optimal learning model coupled with clonal selection algorithm was used to optimize model parameters. In this study, PET, CT image features and clinical parameters were utilized for predicting distant failure in lung SBRT. Results: Total 126 solution sets were generated by adjusting predictive model parameters. Each Pareto set contains 100 feasible solutions. The solution selected by SMOLER within each Pareto set was compared to the manually selected optimal solution. Five-cross-validation was used to evaluate the optimal solution selection accuracy of SMOLER. The selection accuracies for five folds were 80.00%, 69.23%, 84.00%, 84.00%, 80.00%, respectively. Conclusion: An optimal solution selection methodology for multi-objective radiomics learning model using the evidential reasoning approach (SMOLER) was proposed. Experimental results show that the optimal solution can be found in approximately 80% cases.

  14. SU-F-R-10: Selecting the Optimal Solution for Multi-Objective Radiomics Model

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Z; Folkert, M; Wang, J [UT Southwestern Medical Center, Dallas, TX (United States)

    2016-06-15

    Purpose: To develop an evidential reasoning approach for selecting the optimal solution from a Pareto solution set obtained by a multi-objective radiomics model for predicting distant failure in lung SBRT. Methods: In the multi-objective radiomics model, both sensitivity and specificity are considered as the objective functions simultaneously. A Pareto solution set with many feasible solutions will be resulted from the multi-objective optimization. In this work, an optimal solution Selection methodology for Multi-Objective radiomics Learning model using the Evidential Reasoning approach (SMOLER) was proposed to select the optimal solution from the Pareto solution set. The proposed SMOLER method used the evidential reasoning approach to calculate the utility of each solution based on pre-set optimal solution selection rules. The solution with the highest utility was chosen as the optimal solution. In SMOLER, an optimal learning model coupled with clonal selection algorithm was used to optimize model parameters. In this study, PET, CT image features and clinical parameters were utilized for predicting distant failure in lung SBRT. Results: Total 126 solution sets were generated by adjusting predictive model parameters. Each Pareto set contains 100 feasible solutions. The solution selected by SMOLER within each Pareto set was compared to the manually selected optimal solution. Five-cross-validation was used to evaluate the optimal solution selection accuracy of SMOLER. The selection accuracies for five folds were 80.00%, 69.23%, 84.00%, 84.00%, 80.00%, respectively. Conclusion: An optimal solution selection methodology for multi-objective radiomics learning model using the evidential reasoning approach (SMOLER) was proposed. Experimental results show that the optimal solution can be found in approximately 80% cases.

  15. Development and validation of a model TRIGA Mark III reactor with code MCNP5

    International Nuclear Information System (INIS)

    Galicia A, J.; Francois L, J. L.; Aguilar H, F.

    2015-09-01

    The main purpose of this paper is to obtain a model of the reactor core TRIGA Mark III that accurately represents the real operating conditions to 1 M Wth, using the Monte Carlo code MCNP5. To provide a more detailed analysis, different models of the reactor core were realized by simulating the control rods extracted and inserted in conditions in cold (293 K) also including an analysis for shutdown margin, so that satisfied the Operation Technical Specifications. The position they must have the control rods to reach a power equal to 1 M Wth, were obtained from practice entitled Operation in Manual Mode performed at Instituto Nacional de Investigaciones Nucleares (ININ). Later, the behavior of the K eff was analyzed considering different temperatures in the fuel elements, achieving calculate subsequently the values that best represent the actual reactor operation. Finally, the calculations in the developed model for to obtain the distribution of average flow of thermal, epithermal and fast neutrons in the six new experimental facilities are presented. (Author)

  16. A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

    Science.gov (United States)

    Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

    2016-04-01

    As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.

  17. Exact and Numerical Solutions of a Spatially-Distributed Mathematical Model for Fluid and Solute Transport in Peritoneal Dialysis

    Directory of Open Access Journals (Sweden)

    Roman Cherniha

    2016-06-01

    Full Text Available The nonlinear mathematical model for solute and fluid transport induced by the osmotic pressure of glucose and albumin with the dependence of several parameters on the hydrostatic pressure is described. In particular, the fractional space available for macromolecules (albumin was used as a typical example and fractional fluid void volume were assumed to be different functions of hydrostatic pressure. In order to find non-uniform steady-state solutions analytically, some mathematical restrictions on the model parameters were applied. Exact formulae (involving hypergeometric functions for the density of fluid flux from blood to tissue and the fluid flux across tissues were constructed. In order to justify the applicability of the analytical results obtained, a wide range of numerical simulations were performed. It was found that the analytical formulae can describe with good approximation the fluid and solute transport (especially the rate of ultrafiltration for a wide range of values of the model parameters.

  18. Colorimetric Determination of the Iron(III)-Thiocyanate Reaction Equilibrium Constant with Calibration and Equilibrium Solutions Prepared in a Cuvette by Sequential Additions of One Reagent to the Other

    Science.gov (United States)

    Nyasulu, Frazier; Barlag, Rebecca

    2011-01-01

    The well-known colorimetric determination of the equilibrium constant of the iron(III-thiocyanate complex is simplified by preparing solutions in a cuvette. For the calibration plot, 0.10 mL increments of 0.00100 M KSCN are added to 4.00 mL of 0.200 M Fe(NO[subscript 3])[subscript 3], and for the equilibrium solutions, 0.50 mL increments of…

  19. Calcite growth kinetics: Modeling the effect of solution stoichiometry

    NARCIS (Netherlands)

    Wolthers, M.; Nehrke, G.; Gustafsson, J.P.; Van Cappellen, P.

    2012-01-01

    Until recently the influence of solution stoichiometry on calcite crystal growth kinetics has attracted little attention, despite the fact that in most aqueous environments calcite precipitates from non-stoichiometric solution. In order to account for the dependence of the calcite crystal growth

  20. New analytical solutions for nonlinear physical models of the ...

    Indian Academy of Sciences (India)

    In mathematical physics, we studied two complex systems, the Maccari system and the coupled Higgs field equation. We construct sufficient exact solutions for nonlinear evolution equations. To study travelling wave solutions, we used a fractional complex transform to convert the particular partial differential equation of ...

  1. Travelling wave solutions to nonlinear physical models by means

    Indian Academy of Sciences (India)

    This paper presents the first integral method to carry out the integration of nonlinear partial differential equations in terms of travelling wave solutions. For illustration, three important equations of mathematical physics are analytically investigated. Through the established first integrals, exact solutions are successfully ...

  2. Nontopological bare solutions in the relativistic self-dual Maxwell-Chern-Simons-Higgs model

    International Nuclear Information System (INIS)

    Han, Jongmin; Jang, Jaeduk

    2005-01-01

    In this paper we prove the existence of the radially symmetric nontopological bare solutions in the relativistic self-dual Maxwell-Chern-Simons-Higgs model. We also verify the Chern-Simons limit for those solutions

  3. Exploration of spectroscopic properties of solvated tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III)red hybrid organic complex for solution processed OLEDs and displays

    Energy Technology Data Exchange (ETDEWEB)

    Chitnis, Dipti [Department of Physics, RTM Nagpur University, Nagpur 440033 (India); Thejokalyani, N., E-mail: thejokalyani@rediffmail.com [Department of Applied Physics, Laxminarayan Institute of Technology, Nagpur 440033 (India); Dhoble, S.J. [Department of Physics, RTM Nagpur University, Nagpur 440033 (India)

    2017-05-15

    In order to explore the spectroscopic properties of a novel europium activated hybrid organic tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III), Eu(TTA){sub 3}bipy phosphor in various solvents at different pH and molar concentrations, UV–vis optical absorption and photoluminescence spectra were carried out. With a variation in the solvent from basic (chloroform, toluene, tetrahydrofuran) to acidic (acetic acid, formic acid) media, staggering differences in optical absorptions and optical densities were noticed with hypsochromic shift in the absorption peaks. The optical density was found to be maximum for the complex with pH= 7.0 and the intensity as well as optical density gradually decreased when pH is lowered to 6.0 or raised to 8.0 (at an interval of 0.5), proving that the complex is pH sensitive. It's optical energy gap and stokes shift values in various organic solvents were also calculated on the basis of Lippert-Mataga plot. The exploration of spectroscopic properties of solvated Eu(TTA){sub 3}bipy complex demonstrates its prospective for solution processed OLEDs and display devices. - Graphical abstract: Pictorial depiction of photoluminescence in solvated Eu(TTA){sub 3}bipy complex under UV light.

  4. Exploration of spectroscopic properties of solvated tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III)red hybrid organic complex for solution processed OLEDs and displays

    International Nuclear Information System (INIS)

    Chitnis, Dipti; Thejokalyani, N.; Dhoble, S.J.

    2017-01-01

    In order to explore the spectroscopic properties of a novel europium activated hybrid organic tris(thenoyltrifluoroacetonate)(2,2′-bipyridine)europium(III), Eu(TTA) 3 bipy phosphor in various solvents at different pH and molar concentrations, UV–vis optical absorption and photoluminescence spectra were carried out. With a variation in the solvent from basic (chloroform, toluene, tetrahydrofuran) to acidic (acetic acid, formic acid) media, staggering differences in optical absorptions and optical densities were noticed with hypsochromic shift in the absorption peaks. The optical density was found to be maximum for the complex with pH= 7.0 and the intensity as well as optical density gradually decreased when pH is lowered to 6.0 or raised to 8.0 (at an interval of 0.5), proving that the complex is pH sensitive. It's optical energy gap and stokes shift values in various organic solvents were also calculated on the basis of Lippert-Mataga plot. The exploration of spectroscopic properties of solvated Eu(TTA) 3 bipy complex demonstrates its prospective for solution processed OLEDs and display devices. - Graphical abstract: Pictorial depiction of photoluminescence in solvated Eu(TTA) 3 bipy complex under UV light.

  5. Segment-based Eyring-Wilson viscosity model for polymer solutions

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat

    2005-01-01

    A theory-based model is presented for correlating viscosity of polymer solutions and is based on the segment-based Eyring mixture viscosity model as well as the segment-based Wilson model for describing deviations from ideality. The model has been applied to several polymer solutions and the results show that it is reliable both for correlation and prediction of the viscosity of polymer solutions at different molar masses and temperature of the polymer

  6. Physiotherapy and low back pain - part iii: outcomes research utilising the biosychosocial model: psychosocial outcomes

    Directory of Open Access Journals (Sweden)

    L. D. Bardin

    2003-02-01

    has evolved that necessitates the use of a biopsychosocial model, focusing on illness rather than disease and incorporating the biological, psychological and social aspects that are important to understand and to study LBP in its chronic form. Traditional outcome measures that measure elements within the biological component are limited to assess the spectrum of impacts caused by chronic low back pain (CLBP and the validity, reliability and sensitivity of some of these measures has been questioned.Few physiologic tests of spine function are clinically meaningful to patients, objective physical findings can be absent, and in CLBP disability and activity intolerance are often disproportional to the original injury. Biological outcomes should be complemented by outcomes of the psychosocial aspects of back pain that measure the considerable functional and emotional impact on the quality of life of patients experiencing low back dysfunction. Outcomes research is an analysis of clinical practice as it actually occurs and can  make a valuable contribution to understanding the multidimensional impact of LBP. Psychosocial aspects of the biopsychosocial model for outcomes research are discussed in part III: functional status/disability, psychological impairment, patient satisfaction, health related quality of life

  7. A small molecule mitigates hearing loss in a mouse model of Usher syndrome III.

    Science.gov (United States)

    Alagramam, Kumar N; Gopal, Suhasini R; Geng, Ruishuang; Chen, Daniel H-C; Nemet, Ina; Lee, Richard; Tian, Guilian; Miyagi, Masaru; Malagu, Karine F; Lock, Christopher J; Esmieu, William R K; Owens, Andrew P; Lindsay, Nicola A; Ouwehand, Krista; Albertus, Faywell; Fischer, David F; Bürli, Roland W; MacLeod, Angus M; Harte, William E; Palczewski, Krzysztof; Imanishi, Yoshikazu

    2016-06-01

    Usher syndrome type III (USH3), characterized by progressive deafness, variable balance disorder and blindness, is caused by destabilizing mutations in the gene encoding the clarin-1 (CLRN1) protein. Here we report a new strategy to mitigate hearing loss associated with a common USH3 mutation CLRN1(N48K) that involves cell-based high-throughput screening of small molecules capable of stabilizing CLRN1(N48K), followed by a secondary screening to eliminate general proteasome inhibitors, and finally an iterative process to optimize structure-activity relationships. This resulted in the identification of BioFocus 844 (BF844). To test the efficacy of BF844, we developed a mouse model that mimicked the progressive hearing loss associated with USH3. BF844 effectively attenuated progressive hearing loss and prevented deafness in this model. Because the CLRN1(N48K) mutation causes both hearing and vision loss, BF844 could in principle prevent both sensory deficiencies in patients with USH3. Moreover, the strategy described here could help identify drugs for other protein-destabilizing monogenic disorders.

  8. Synthesis, characterisation and modelling of a ferromagnetically coupled chromium(III) Dimer

    DEFF Research Database (Denmark)

    Morsing, Thorbjørn Juul; Weihe, Høgni; Bendix, Jesper

    2014-01-01

    A rare example of a ferromagnetically coupled dinuclear chromium(III) complex, the di-μ-hydroxobis[tetrakis(isothiocyanato)chromate(III)] anion, is reported. This complex has been synthesised from the oxo-bridged acetonitrile complex [(CH3CN)5CrOCr(NCCH3)5](BF4)4 and isolated as the solvated...

  9. Characterization of the Hanford 300 Area Burial Grounds. Task III: fluid transport and modeling

    International Nuclear Information System (INIS)

    Gee, G.W.; Simmons, C.S.

    1979-08-01

    In Task III, Fluid Transport and Modeling, a computer model was developed and applied to the 300 Area Burial Grounds to analyze the influence of potential evaporation and rainfall patterns on drainage. The model describes one-dimensional unsaturated flow. Fluid transport equations were evaluated to describe the driving forces of fluid flow. The data indicate that the major processes are evaporative drying, capillarity, and gravity flow. Thermally induced transport does not appear significant in the subsurface sediments of the area. Several empirical evaporation methods are available for assessing potential evaporation/evapotranspiration. Four methods were used with the unsaturated flow model. Ultimately, the Blaney-Criddle method was chosen for subsequent simulation examples because it relies only on the climatic data available and gave results comparable to the other methods tested. Simulations showed that a dry layer formation is important in controlling the soil-water balance in the profile. The surface dry layer acts as a mulch to retard the evaporative water losses and increase water storage. The most important climatic factor in determining drainage appears to be yearly rainfall distribution. When rainfall is distributed in fall or winter, during periods of low potential evaporation, both water storage and drainage are increased. Summer showers, on the other hand, were shown to add little to the annual water storage. Rainfall occurring in one year influences the subsequent annual drainage for several succeeding years because of annual changes in water storage capacity and the transient nature of unsaturated flow in the storage zone. 47 figures, 9 tables

  10. SIMULASI GELOMBANG EKSTRIM AKIBAT SWELL DI INDONESIA MENGGUNAKAN MODEL WAVEWATCH-III

    Directory of Open Access Journals (Sweden)

    Muhammad Najib Habibie

    2015-01-01

    menyebabkan superposisi antara swell dan pasang surut dan menambah ketinggian swell.   Indonesia lies between Hindia and Pacific ocean, it caused hight risk in extreme wave from both of them. One of extreme wave events occured on May 17-19, 2007. This event damaged many infrastructure over western coast of Sumatra until southern Nusa Tenggara. The purpose of this research is to investigate WAVEWATCH-III performance to simulate the extreme wave in Indonesia waters. 10 m of wind from Global Forcasting System (GFS and bathimetry from US Geological Survey (USGS used as input model to simulate the wind wave on global and regional domain during May 1-31, 2007, and than verified by ERA-Interim data. The simulation shown that these extreme wave event triggered by tropical cyclone in Cape of Hope, southern of Africa. The cyclone caused persistent wind more than 22 m/s speed and leads to Indonesia waters. This condition took place during May 4-10, 2007 and generated extreme wave more than 3 meter over the western coast of Sumatra, the southern coast of Java to Flores. The extreme wave considered as swell. The persistent wind generated wind sea and grown to swell leads to Indonesia waters across Hindian Ocean. The model has been verified by ERA-Interim reanalysis data, it has a good correlation (0,92-0,97 and MAE between 0,13-0,45 m. But the model data higher than ERA-Interim because the resolution of the model higher too. Based on the simulation, more than 20 seconds wave period recorded in coastal areas. This hundreds meters of wavelength having setup due to bottom friction, so these wave are destructive and dangerous. These event resembling with spring tide, so superposition about swell and tide caused wave setup.

  11. Expansion of thermodynamic model of solute permeation through reverse osmosis membrane

    International Nuclear Information System (INIS)

    Nishimaki, Kenzo; Koyama, Akio

    1994-01-01

    Many studies have been performed on permeation mechanism of solute and solvent in membrane separation process like reverse osmosis or ultrafiltration, and several models of solute/solvent permeation through membrane are proposed. Among these models, Kedem and Katchalsky, based on the theory of thermodynamics of irreversible processes, formulated the one-solute permeation process in their mathematical model, which treats membrane as a black box, not giving consideration to membrane structure and to interaction between membrane material and permeates, viz. solute and solvent. According to this theory, the driving force of solute/solvent permeation through membrane is the difference of their chemical potential between both sides of membrane, and the linear phenomenological equation is applied to describing the relation between driving force and flux of solute/solvent. This equation can be applied to the irreversible process only when the process is almost in equilibrium. This condition is supposed to be satisfied in the solute/solvent permeation process through compact membrane with fine pores like reverse osmosis membrane. When reverse osmosis is applied to treatment process for liquid waste, which usually contains a lot of solutes as contaminants, we can not predict the behavior of contaminants by the above one-solute process model. In the case of multi-solutes permeation process for liquid waste, the number of parameter in thermodynamic model increases rapidly with the number of solute, because of coupling phenomenon among solutes. In this study, we expanded the above thermodynamic model to multi-solute process applying operational calculus to the differential equations which describe the irreversible process of the system, and expressed concisely solute concentration vector as a matrix product. In this way, we predict the behavior of solutes in multi-solutes process, using values of parameters obtained in two-solutes process. (author)

  12. Mathematical modeling of fluid and solute transport in peritoneal dialysis

    OpenAIRE

    Waniewski, Jacek

    2001-01-01

    Optimization of peritoneal dialysis schedule and dialysis fluid composition needs, among others, methods for quantitative assessment of fluid and solute transport. Furthermore, an integrative quantitative description of physiological processes within the tissue, which contribute to the net transfer of fluid and solutes, is necessary for interpretation of the data and for predictions of the outcome of possible intervention into the peritoneal transport system. The current pro...

  13. Exact solutions to a nonlinear dispersive model with variable coefficients

    International Nuclear Information System (INIS)

    Yin Jun; Lai Shaoyong; Qing Yin

    2009-01-01

    A mathematical technique based on an auxiliary differential equation and the symbolic computation system Maple is employed to investigate a prototypical and nonlinear K(n, n) equation with variable coefficients. The exact solutions to the equation are constructed analytically under various circumstances. It is shown that the variable coefficients and the exponent appearing in the equation determine the quantitative change in the physical structures of the solutions.

  14. Performance evaluation of WAVEWATCH III model in the Persian Gulf using different wind resources

    Science.gov (United States)

    Kazeminezhad, Mohammad Hossein; Siadatmousavi, Seyed Mostafa

    2017-07-01

    The third-generation wave model, WAVEWATCH III, was employed to simulate bulk wave parameters in the Persian Gulf using three different wind sources: ERA-Interim, CCMP, and GFS-Analysis. Different formulations for whitecapping term and the energy transfer from wind to wave were used, namely the Tolman and Chalikov (J Phys Oceanogr 26:497-518, 1996), WAM cycle 4 (BJA and WAM4), and Ardhuin et al. (J Phys Oceanogr 40(9):1917-1941, 2010) (TEST405 and TEST451 parameterizations) source term packages. The obtained results from numerical simulations were compared to altimeter-derived significant wave heights and measured wave parameters at two stations in the northern part of the Persian Gulf through statistical indicators and the Taylor diagram. Comparison of the bulk wave parameters with measured values showed underestimation of wave height using all wind sources. However, the performance of the model was best when GFS-Analysis wind data were used. In general, when wind veering from southeast to northwest occurred, and wind speed was high during the rotation, the model underestimation of wave height was severe. Except for the Tolman and Chalikov (J Phys Oceanogr 26:497-518, 1996) source term package, which severely underestimated the bulk wave parameters during stormy condition, the performances of other formulations were practically similar. However, in terms of statistics, the Ardhuin et al. (J Phys Oceanogr 40(9):1917-1941, 2010) source terms with TEST405 parameterization were the most successful formulation in the Persian Gulf when compared to in situ and altimeter-derived observations.

  15. DECOVALEX - Mathematical models of coupled T-H-M processes for nuclear waste repositories. Report of phase III

    International Nuclear Information System (INIS)

    Jing, L.; Rutqvist, J.; Stephansson, O.

    1995-12-01

    This report presents the methodologies and results of the field/laboratory experiments and mathematical modeling defined for the phase III of the project. Results from test cases 2-6 are given in separate chapters of the report (which have been indexed separately), and the last chapter discusses the lessons learned from the three phases of the DECOVALEX project

  16. Adsorption of Cr(VI and Speciation of Cr(VI and Cr(III in Aqueous Solutions Using Chemically Modified Chitosan

    Directory of Open Access Journals (Sweden)

    ChunYuan Tao

    2012-05-01

    Full Text Available A new type of grafting chitosan (CTS was synthesized using 2-hydroxyethyl- trimethyl ammonium chloride (HGCTS. The adsorption of Cr(VI on HGCTS was studied. The effect factors on adsorption and the adsorption mechanism were considered. The results indicated that the HGCTS could concentrate and separate Cr(VI at pH 4.0; the adsorption equilibrium time was 80 min; the maximum adsorption capacity was 205 mg/g. The adsorption isotherm and kinetics were investigated, equilibrium data agreed very well with the Langmuir model and the pseudo second-order model could describe the adsorption process better than the pseudo first-order model. A novel method for speciation of Cr(VI and Cr(III in environmental water samples has been developed using HGCTS as adsorbent and FAAS as determination means. The detection limit of this method was 20 ng/L, the relatively standard deviation was 1.2% and the recovery was 99%~105%.

  17. A method of fundamental solutions in poroelasticity to model the stress field in geothermal reservoirs

    CERN Document Server

    Augustin, Matthias Albert

    2015-01-01

    This monograph focuses on the numerical methods needed in the context of developing a reliable simulation tool to promote the use of renewable energy. One very promising source of energy is the heat stored in the Earth’s crust, which is harnessed by so-called geothermal facilities. Scientists from fields like geology, geo-engineering, geophysics and especially geomathematics are called upon to help make geothermics a reliable and safe energy production method. One of the challenges they face involves modeling the mechanical stresses at work in a reservoir. The aim of this thesis is to develop a numerical solution scheme by means of which the fluid pressure and rock stresses in a geothermal reservoir can be determined prior to well drilling and during production. For this purpose, the method should (i) include poroelastic effects, (ii) provide a means of including thermoelastic effects, (iii) be inexpensive in terms of memory and computational power, and (iv) be flexible with regard to the locations of data ...

  18. Study and modeling of lanthanide(3)-L and americium(3)-L (With L = NTA, EDTA and DTPA) in high ionic strength aqueous solutions

    International Nuclear Information System (INIS)

    Rocchiccioli, F.

    2000-01-01

    The dissociation constants of NTA, EDTA, DTPA in NaCl, NaClO 4 , LiCl and LiClO 4 aqueous solutions of various ionic strengths have been gathered from the literature and from the Critical Surveys of Stability Constants. These values have been completed by a series of pKa values obtained in the same salted solution at higher ionic strengths by potentiometry involving a combined glass electrode at 25 deg C. The dependencies of the pKas versus the ionic strength have been investigated by using the Specific Interaction Theory (SIT), the parabolic model and the Pitzer model. The stability constants of complexes involving lanthanides (III), such as Nd 3+ , Eu 3+ and Lu 3+ , and americium (III), with the ligands previously mentioned in NaCl, NaClO 4 , LiCl and LiClO 4 aqueous solutions of high ionic strengths have been determined. The methods used for the determination of the stability constants for the lanthanide complexes are various: direct measurements by potentiometry when possible, UV-visible absorption spectroscopy involving Arsenazo (III) as a competitor ligand. For the actinide complexes, solvent extraction experiments have been performed. The different systems, along with the dissociation constants of several complexes in the same aqueous media, have been successfully modeled by the SIT, the parabolic method and the Pitzer method. (author)

  19. General classical solutions in the noncommutative CP{sup N-1} model

    Energy Technology Data Exchange (ETDEWEB)

    Foda, O.; Jack, I.; Jones, D.R.T

    2002-10-31

    We give an explicit construction of general classical solutions for the noncommutative CP{sup N-1} model in two dimensions, showing that they correspond to integer values for the action and topological charge. We also give explicit solutions for the Dirac equation in the background of these general solutions and show that the index theorem is satisfied.

  20. Exact solutions for a discrete unidimensional Boltzmann model satisfying all conservation laws

    International Nuclear Information System (INIS)

    Cornille, H.

    1989-01-01

    We consider a four-velocity discrete and unidimensional Boltzmann model. The mass, momentum and energy conservation laws being satisfied we can define a temperature. We report the exact positive solutions which have been found: periodic in the space and propagating or not when the time is growing, shock waves similarity solutions and (1 + 1)-dimensional solutions [fr

  1. Exact cosmological solutions of Einstein-Maxwell equations as perturbations of the Bertotti-Robinson model

    International Nuclear Information System (INIS)

    Portugal, R.; Soares, I.D.

    1985-01-01

    Two new classes of spatially homogeneous cosmological solutions of Einstein-Maxwell equations are obtained by considering a class of exact perturbations of the static Bertotti-Robinson (BR) model. The BR solution is shown to be unstable under these perturbations, being perturbed into exact cosmological solutions with perfect fluid (equations of state p = lambda rho, O [pt

  2. Magnetic Helicity Estimations in Models and Observations of the Solar Magnetic Field. III. Twist Number Method

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Y. [School of Astronomy and Space Science and Key Laboratory of Modern Astronomy and Astrophysics in Ministry of Education, Nanjing University, Nanjing 210023 (China); Pariat, E.; Moraitis, K. [LESIA, Observatoire de Paris, PSL Research University, CNRS, Sorbonne Université, UPMC Univ. Paris 06, Univ. Paris Diderot, Sorbonne Paris Cité, F-92190 Meudon (France); Valori, G. [University College London, Mullard Space Science Laboratory, Holmbury St. Mary, Dorking, Surrey, RH5 6NT (United Kingdom); Anfinogentov, S. [Institute of Solar-Terrestrial Physics SB RAS 664033, Irkutsk, P.O. box 291, Lermontov Street, 126a (Russian Federation); Chen, F. [Max-Plank-Institut für Sonnensystemforschung, D-37077 Göttingen (Germany); Georgoulis, M. K. [Research Center for Astronomy and Applied Mathematics of the Academy of Athens, 4 Soranou Efesiou Street, 11527 Athens (Greece); Liu, Y. [W. W. Hansen Experimental Physics Laboratory, Stanford University, Stanford, CA 94305 (United States); Thalmann, J. K. [Institute of Physics, Univeristy of Graz, Universitätsplatz 5/II, A-8010 Graz (Austria); Yang, S., E-mail: guoyang@nju.edu.cn [Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China)

    2017-05-01

    We study the writhe, twist, and magnetic helicity of different magnetic flux ropes, based on models of the solar coronal magnetic field structure. These include an analytical force-free Titov–Démoulin equilibrium solution, non-force-free magnetohydrodynamic simulations, and nonlinear force-free magnetic field models. The geometrical boundary of the magnetic flux rope is determined by the quasi-separatrix layer and the bottom surface, and the axis curve of the flux rope is determined by its overall orientation. The twist is computed by the Berger–Prior formula, which is suitable for arbitrary geometry and both force-free and non-force-free models. The magnetic helicity is estimated by the twist multiplied by the square of the axial magnetic flux. We compare the obtained values with those derived by a finite volume helicity estimation method. We find that the magnetic helicity obtained with the twist method agrees with the helicity carried by the purely current-carrying part of the field within uncertainties for most test cases. It is also found that the current-carrying part of the model field is relatively significant at the very location of the magnetic flux rope. This qualitatively explains the agreement between the magnetic helicity computed by the twist method and the helicity contributed purely by the current-carrying magnetic field.

  3. Solvent extraction of La(III) using Cyanex 921 in petrofin and modelling of data by linear and nonlinear techniques

    International Nuclear Information System (INIS)

    Sagarika Acharya; Sujata Mishra; Anusandhan University, Bhubaneswar, Odisha; Sunita Chand; Anusandhan University, Bhubaneswar, Odisha

    2017-01-01

    Influence of various parameters affecting the extraction of La(III) from acidic nitrate medium has been analysed. The extraction of 99.1% La(III) from 0.01 mol/L HNO 3 and 1 M NaNO 3 has been obtained using 0.3 mol/L Cyanex 921 in petrofin. The ∆H 0, ∆S 0 calculated from temperature variation experiments and were found to be negative. Stripping has been effectively achieved using low concentrations of HCl and H 2 SO 4 . Separation of La(III) from other lanthanides (Ce, Pr, Nd, Sm) has shown maximum separation factor for La-Sm pair. Modelling of data has been performed using MLR, ANN and ANFIS. (author)

  4. Validated Competing Event Model for the Stage I-II Endometrial Cancer Population

    Energy Technology Data Exchange (ETDEWEB)

    Carmona, Ruben; Gulaya, Sachin; Murphy, James D. [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States); Rose, Brent S. [Harvard Radiation Oncology Program, Harvard Medical School, Boston, Massachusetts (United States); Wu, John; Noticewala, Sonal [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States); McHale, Michael T. [Department of Reproductive Medicine, Division of Gynecologic Oncology, University of California San Diego, La Jolla, California (United States); Yashar, Catheryn M. [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States); Vaida, Florin [Department of Family and Preventive Medicine, Biostatistics and Bioinformatics, University of California San Diego Medical Center, San Diego, California (United States); Mell, Loren K., E-mail: lmell@ucsd.edu [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States)

    2014-07-15

    Purpose/Objectives(s): Early-stage endometrial cancer patients are at higher risk of noncancer mortality than of cancer mortality. Competing event models incorporating comorbidity could help identify women most likely to benefit from treatment intensification. Methods and Materials: 67,397 women with stage I-II endometrioid adenocarcinoma after total hysterectomy diagnosed from 1988 to 2009 were identified in Surveillance, Epidemiology, and End Results (SEER) and linked SEER-Medicare databases. Using demographic and clinical information, including comorbidity, we sought to develop and validate a risk score to predict the incidence of competing mortality. Results: In the validation cohort, increasing competing mortality risk score was associated with increased risk of noncancer mortality (subdistribution hazard ratio [SDHR], 1.92; 95% confidence interval [CI], 1.60-2.30) and decreased risk of endometrial cancer mortality (SDHR, 0.61; 95% CI, 0.55-0.78). Controlling for other variables, Charlson Comorbidity Index (CCI) = 1 (SDHR, 1.62; 95% CI, 1.45-1.82) and CCI >1 (SDHR, 3.31; 95% CI, 2.74-4.01) were associated with increased risk of noncancer mortality. The 10-year cumulative incidences of competing mortality within low-, medium-, and high-risk strata were 27.3% (95% CI, 25.2%-29.4%), 34.6% (95% CI, 32.5%-36.7%), and 50.3% (95% CI, 48.2%-52.6%), respectively. With increasing competing mortality risk score, we observed a significant decline in omega (ω), indicating a diminishing likelihood of benefit from treatment intensification. Conclusion: Comorbidity and other factors influence the risk of competing mortality among patients with early-stage endometrial cancer. Competing event models could improve our ability to identify patients likely to benefit from treatment intensification.

  5. Validated Competing Event Model for the Stage I-II Endometrial Cancer Population

    International Nuclear Information System (INIS)

    Carmona, Ruben; Gulaya, Sachin; Murphy, James D.; Rose, Brent S.; Wu, John; Noticewala, Sonal; McHale, Michael T.; Yashar, Catheryn M.; Vaida, Florin; Mell, Loren K.

    2014-01-01

    Purpose/Objectives(s): Early-stage endometrial cancer patients are at higher risk of noncancer mortality than of cancer mortality. Competing event models incorporating comorbidity could help identify women most likely to benefit from treatment intensification. Methods and Materials: 67,397 women with stage I-II endometrioid adenocarcinoma after total hysterectomy diagnosed from 1988 to 2009 were identified in Surveillance, Epidemiology, and End Results (SEER) and linked SEER-Medicare databases. Using demographic and clinical information, including comorbidity, we sought to develop and validate a risk score to predict the incidence of competing mortality. Results: In the validation cohort, increasing competing mortality risk score was associated with increased risk of noncancer mortality (subdistribution hazard ratio [SDHR], 1.92; 95% confidence interval [CI], 1.60-2.30) and decreased risk of endometrial cancer mortality (SDHR, 0.61; 95% CI, 0.55-0.78). Controlling for other variables, Charlson Comorbidity Index (CCI) = 1 (SDHR, 1.62; 95% CI, 1.45-1.82) and CCI >1 (SDHR, 3.31; 95% CI, 2.74-4.01) were associated with increased risk of noncancer mortality. The 10-year cumulative incidences of competing mortality within low-, medium-, and high-risk strata were 27.3% (95% CI, 25.2%-29.4%), 34.6% (95% CI, 32.5%-36.7%), and 50.3% (95% CI, 48.2%-52.6%), respectively. With increasing competing mortality risk score, we observed a significant decline in omega (ω), indicating a diminishing likelihood of benefit from treatment intensification. Conclusion: Comorbidity and other factors influence the risk of competing mortality among patients with early-stage endometrial cancer. Competing event models could improve our ability to identify patients likely to benefit from treatment intensification

  6. Synthesis of green nano iron particles (GnIP) and their application in adsorptive removal of As(III) and As(V) from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Prasad, Kumar Suranjit, E-mail: suranjit@gmail.com [Department of Environmental Studies, Faculty of Science, The M. S. University of Baroda, Vadodara, 390002, Gujarat (India); Gandhi, Pooja, E-mail: poojagandhi.3090@gmail.com [Department of Environmental Sciences, Ashok and Rita Patel Institute of Integrated Study and Research in Biotechnology and Allied Sciences (ARIBAS), New Vallabh Vidyanagar, Anand, Gujarat, 388121 (India); Selvaraj, Kaliaperumal, E-mail: k.selvaraj@ncl.res.in [Nano and Computational Materials Lab, Catalysis Division, National Chemical Laboratory, Council of Scientific and Industrial Research, Pune, 411008 (India)

    2014-10-30

    Graphical abstract: - Highlights: • Colloidal GnIP synthesised using extract of Mint leaves were entrapped in chitosan beads. • GnIP loaded beads were employed for removal of As ions, showed excellent removal efficiency. • Iron and chitosan are cost effective materials hence can be a good adsorbent for removal of arsenic. - Abstract: The present study reports a new approach to synthesise nano iron particles using leaf extract of Mint (Mentha spicata L.) plant. The synthesised GnIPs were subjected to detailed adsorption studies for removal of arsenite and arsenate from aqueous solution of defined concentration. Iron nanoparticles synthesised using leaf extract showed UV–vis absorption peaks at 360 and 430 nm. TEM result showed the formation of polydispersed nanoparticles of size ranging from 20 to 45 nm. Nanoparticles were found to have core–shell structure. The planer reflection of selected area electron diffraction (SAED) and XRD analysis suggested that iron particles were crystalline and belonged to fcc (face centred cubic) type. Energy-dispersive X-ray analysis (EDAX) shows that Fe was an integral component of synthesised nanoparticles. The content of Fe in nanoparticles was found to be 40%, in addition to other elements like C (16%), O (19%) and Cl (23%). FT-IR study suggested that functional groups like -NH, -C=O, -C=N and -C=C were involved in particle formation. The removal efficiency of GnIP-chitosan composite for As(III) and As(V) was found to be 98.79 and 99.65%. Regeneration of adsorbent suggested that synthesised green GnIP may work as an effective tool for removal of arsenic from contaminated water.

  7. Synthesis of green nano iron particles (GnIP) and their application in adsorptive removal of As(III) and As(V) from aqueous solution

    International Nuclear Information System (INIS)

    Prasad, Kumar Suranjit; Gandhi, Pooja; Selvaraj, Kaliaperumal

    2014-01-01

    Graphical abstract: - Highlights: • Colloidal GnIP synthesised using extract of Mint leaves were entrapped in chitosan beads. • GnIP loaded beads were employed for removal of As ions, showed excellent removal efficiency. • Iron and chitosan are cost effective materials hence can be a good adsorbent for removal of arsenic. - Abstract: The present study reports a new approach to synthesise nano iron particles using leaf extract of Mint (Mentha spicata L.) plant. The synthesised GnIPs were subjected to detailed adsorption studies for removal of arsenite and arsenate from aqueous solution of defined concentration. Iron nanoparticles synthesised using leaf extract showed UV–vis absorption peaks at 360 and 430 nm. TEM result showed the formation of polydispersed nanoparticles of size ranging from 20 to 45 nm. Nanoparticles were found to have core–shell structure. The planer reflection of selected area electron diffraction (SAED) and XRD analysis suggested that iron particles were crystalline and belonged to fcc (face centred cubic) type. Energy-dispersive X-ray analysis (EDAX) shows that Fe was an integral component of synthesised nanoparticles. The content of Fe in nanoparticles was found to be 40%, in addition to other elements like C (16%), O (19%) and Cl (23%). FT-IR study suggested that functional groups like -NH, -C=O, -C=N and -C=C were involved in particle formation. The removal efficiency of GnIP-chitosan composite for As(III) and As(V) was found to be 98.79 and 99.65%. Regeneration of adsorbent suggested that synthesised green GnIP may work as an effective tool for removal of arsenic from contaminated water

  8. Solution study of the Escherichia coli DNA polymerase III clamp loader reveals the location of the dynamic ψχ heterodimer

    Directory of Open Access Journals (Sweden)

    Farzaneh Tondnevis

    2015-09-01

    Full Text Available Several X-ray crystal structures of the E. coli core clamp loader containing the five core (δ′, δ, and three truncated γ subunits have been determined, but they lack the ψ and χ subunits. We report the first solution structure of the complete seven-subunit clamp loader complex using small angle X-ray scattering. This structure not only provides information about the location of the χ and ψ subunits but also provides a model of the dynamic nature of the clamp loader complex.

  9. Functional-derivative study of the Hubbard model. III. Fully renormalized Green's function

    International Nuclear Information System (INIS)

    Arai, T.; Cohen, M.H.

    1980-01-01

    The functional-derivative method of calculating the Green's function developed earlier for the Hubbard model is generalized and used to obtain a fully renormalized solution. Higher-order functional derivatives operating on the basic Green's functions, G and GAMMA, are all evaluated explicitly, thus making the solution applicable to the narrow-band region as well as the wide-band region. Correction terms Phi generated from functional derivatives of equal-time Green's functions of the type delta/sup n/ /deltaepsilon/sup n/, etc., with n > or = 2. It is found that the Phi's are, in fact, renormalization factors involved in the self-energy Σ and that the structure of the Phi's resembles that of Σ and contains the same renormalization factors Phi. The renormalization factors Phi are shown to satisfy a set of equations and can be evaluated self-consistently. In the presence of the Phi's, all difficulties found in the previous results (papers I and II) are removed, and the energy spectrum ω can now be evaluated for all occupations n. The Schwinger relation is the only basic relation used in generating this fully self-consistent Green's function, and the Baym-Kadanoff continuity condition is automatically satisfied

  10. Biogenic uraninite precipitation and its reoxidation by iron(III) (hydr)oxides: A reaction modeling approach

    Science.gov (United States)

    Spycher, Nicolas F.; Issarangkun, Montarat; Stewart, Brandy D.; Sevinç Şengör, S.; Belding, Eileen; Ginn, Tim R.; Peyton, Brent M.; Sani, Rajesh K.

    2011-08-01

    One option for immobilizing uranium present in subsurface contaminated groundwater is in situ bioremediation, whereby dissimilatory metal-reducing bacteria and/or sulfate-reducing bacteria are stimulated to catalyze the reduction of soluble U(VI) and precipitate it as uraninite (UO 2). This is typically accomplished by amending groundwater with an organic electron donor. It has been shown, however, that once the electron donor is entirely consumed, Fe(III) (hydr)oxides can reoxidize biogenically produced UO 2, thus potentially impeding cleanup efforts. On the basis of published experiments showing that such reoxidation takes place even under highly reducing conditions (e.g., sulfate-reducing conditions), thermodynamic and kinetic constraints affecting this reoxidation are examined using multicomponent biogeochemical simulations, with particular focus on the role of sulfide and Fe(II) in solution. The solubility of UO 2 and Fe(III) (hydr)oxides are presented, and the effect of nanoscale particle size on stability is discussed. Thermodynamically, sulfide is preferentially oxidized by Fe(III) (hydr)oxides, compared to biogenic UO 2, and for this reason the relative rates of sulfide and UO 2 oxidation play a key role on whether or not UO 2 reoxidizes. The amount of Fe(II) in solution is another important factor, with the precipitation of Fe(II) minerals lowering the Fe +2 activity in solution and increasing the potential for both sulfide and UO 2 reoxidation. The greater (and unintuitive) UO 2 reoxidation by hematite compared to ferrihydrite previously reported in some experiments can be explained by the exhaustion of this mineral from reaction with sulfide. Simulations also confirm previous studies suggesting that carbonate produced by the degradation of organic electron donors used for bioreduction may significantly increase the potential for UO 2 reoxidation through formation of uranyl carbonate aqueous complexes.

  11. Sorption of Hg(II and Pb(II Ions on Chitosan-Iron(III from Aqueous Solutions: Single and Binary Systems

    Directory of Open Access Journals (Sweden)

    Byron Lapo

    2018-03-01

    Full Text Available The present work describes the study of mercury Hg(II and lead Pb(II removal in single and binary component systems into easily prepared chitosan-iron(III bio-composite beads. Scanning electron microscopy and energy-dispersive X-ray (SEM-EDX analysis, Fourier transform infrared spectroscopy (FTIR, thermogravimetric analysis (TGA and point of zero charge (pHpzc analysis were carried out. The experimental set covered pH study, single and competitive equilibrium, kinetics, chloride and sulfate effects as well as sorption–desorption cycles. In single systems, the Langmuir nonlinear model fitted the experimental data better than the Freundlich and Sips equations. The sorbent material has more affinity to Hg(II rather than Pb(II ions, the maximum sorption capacities were 1.8 mmol·g−1 and 0.56 mmol·g−1 for Hg(II and Pb(II, respectively. The binary systems data were adjusted with competitive Langmuir isotherm model. The presence of sulfate ions in the multicomponent system [Hg(II-Pb(II] had a lesser impact on the sorption efficiency than did chloride ions, however, the presence of chloride ions improves the selectivity towards Hg(II ions. The bio-based material showed good recovery performance of metal ions along three sorption–desorption cycles.

  12. Indicators of residential traffic exposure: Modelled NOX, traffic proximity, and self-reported exposure in RHINE III

    Science.gov (United States)

    Carlsen, Hanne Krage; Bäck, Erik; Eneroth, Kristina; Gislason, Thorarinn; Holm, Mathias; Janson, Christer; Jensen, Steen Solvang; Johannessen, Ane; Kaasik, Marko; Modig, Lars; Segersson, David; Sigsgaard, Torben; Forsberg, Bertil; Olsson, David; Orru, Hans

    2017-10-01

    Few studies have investigated associations between self-reported and modelled exposure to traffic pollution. The objective of this study was to examine correlations between self-reported traffic exposure and modelled (a) NOX and (b) traffic proximity in seven different northern European cities; Aarhus (Denmark), Bergen (Norway), Gothenburg, Umeå, and Uppsala (Sweden), Reykjavik (Iceland), and Tartu (Estonia). We analysed data from the RHINE III (Respiratory Health in Northern Europe, http://www.rhine.nu)

  13. Mixed oxide thermal behaviour at BOL: COMETHE III-J models and impact on power-to-melt

    International Nuclear Information System (INIS)

    Vliet, J. van

    1979-01-01

    The mixed oxide thermal behaviour at beginning of life is very important because it can impose a limitation to the fuel pin peak power, and therefore to the reactor thermal output. The relevant physical processes leading to fuel restructuring are modelled in COMETHE III-J in a kinetic way. This ensures that the temperature and power history are properly taken into account. These models are described and their impact on the calculated power to melt early in life is analysed. (author)

  14. Thermodynamic modeling of iodine and selenium retention in solutions with high salinity

    International Nuclear Information System (INIS)

    Hagemann, Sven; Moog, Helge C.; Herbert, Horst-Juergen; Erich, Agathe

    2012-04-01

    The report on iodine and selenium retention in saline solutions includes the following chapters: (1) Introduction and scope of the work. (2) Actual status of knowledge. (3) Experimental and numerical models. (4) Thermodynamic properties of selenite and hydrogen selenite in solutions of oceanic salts. (5) Thermodynamic properties of selenate in solutions of oceanic salts. (6) Thermodynamic properties of iodide in solutions of oceanic salts. (7) Experimental studies on the retention of iodine and selenium in selected sorbents. (8) Summary and conclusions.

  15. Confined solutions of the Thirring model coupled to a Schwinger field

    International Nuclear Information System (INIS)

    Hortacsu, M.

    1976-08-01

    In the study of the confined classical solutions of the bosonized massive Thirring field coupled to a Schwinger field, it is observed that, regardless of their respective magnitudes and signs, the Thirring interaction is dominant over the other one, in determining whether such a solution exists. Confined solutions for the Thirring field are possible if and only if the Thirring coupling is attractive. Solutions are constructed for the Thirring model coupling attractive, repulsive and equal to zero

  16. Investigating conceptual models for physical property couplings in solid solution models of cement

    International Nuclear Information System (INIS)

    Benbow, Steven; Watson, Claire; Savage, David

    2005-11-01

    The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste

  17. Investigating conceptual models for physical property couplings in solid solution models of cement

    Energy Technology Data Exchange (ETDEWEB)

    Benbow, Steven; Watson, Claire; Savage, David [Quintesssa Ltd., Henley-on-Thames (United Kingdom)

    2005-11-15

    The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste.

  18. Modeling and experimental assessment of a buried Leu–Ile mutation in dengue envelope domain III

    Energy Technology Data Exchange (ETDEWEB)

    Kulkarni, Manjiri R. [Department of Biotechnology and Life Science, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Nakamachi, Koganei-shi, Tokyo, 184-8588 (Japan); Numoto, Nobutaka; Ito, Nobutoshi [Department of Structural Biology, Medical Research Institute, Tokyo Medical and Dental University, 1-5-45, Yushima Bunkyo-ku, Tokyo, 113-8510 (Japan); Kuroda, Yutaka, E-mail: ykuroda@cc.tuat.ac.jp [Department of Biotechnology and Life Science, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Nakamachi, Koganei-shi, Tokyo, 184-8588 (Japan)

    2016-02-26

    Envelope protein domain III (ED3) of the dengue virus is important for both antibody binding and host cell interaction. Here, we focused on how a L387I mutation in the protein core could take place in DEN4 ED3, but cannot be accommodated in DEN3 ED3 without destabilizing its structure. To this end, we modeled a DEN4-L387I structure using the Penultimate Rotamer Library and taking the DEN4 ED3 main-chain as a fixed template. We found that three out of seven Ile{sup 387} conformers fit in DEN4 ED3 without introducing the severe atomic clashes that are observed when DEN3 serotype’s ED3 is used as a template. A more extensive search using 273 side-chain rotamers of the residues surrounding Ile{sup 387} confirmed this prediction. In order to assess the prediction, we determined the crystal structure of DEN4-L387I at 2 Å resolution. Ile{sup 387} indeed adopted one of the three predicted rotamers. Altogether, this study demonstrates that the effects of single mutations are to a large extent successfully predicted by systematically modeling the side-chain structures of the mutated as well as those of its surrounding residues using fixed main-chain structures and assessing inter-atomic steric clashes. More accurate and reliable predictions require considering sub-angstrom main-chain deformation, which remains a challenging task. - Highlights: • We mutated L387I of DEN4 ED3 and examined its effects on structure and stability. • We modeled the side-chain of Ile{sup 387} using DEN4 ED3's structure as a template. • We determined the crystal structure of DEN4-L387I and confirmed the modeling. • Side-chain repacking occurring around Ile{sup 387} involved >3 inter-connected residues. • These results explained why L387I mutation in DEN4 ED3 conserves thermostability.

  19. Modeling and experimental assessment of a buried Leu–Ile mutation in dengue envelope domain III

    International Nuclear Information System (INIS)

    Kulkarni, Manjiri R.; Numoto, Nobutaka; Ito, Nobutoshi; Kuroda, Yutaka

    2016-01-01

    Envelope protein domain III (ED3) of the dengue virus is important for both antibody binding and host cell interaction. Here, we focused on how a L387I mutation in the protein core could take place in DEN4 ED3, but cannot be accommodated in DEN3 ED3 without destabilizing its structure. To this end, we modeled a DEN4-L387I structure using the Penultimate Rotamer Library and taking the DEN4 ED3 main-chain as a fixed template. We found that three out of seven Ile"3"8"7 conformers fit in DEN4 ED3 without introducing the severe atomic clashes that are observed when DEN3 serotype’s ED3 is used as a template. A more extensive search using 273 side-chain rotamers of the residues surrounding Ile"3"8"7 confirmed this prediction. In order to assess the prediction, we determined the crystal structure of DEN4-L387I at 2 Å resolution. Ile"3"8"7 indeed adopted one of the three predicted rotamers. Altogether, this study demonstrates that the effects of single mutations are to a large extent successfully predicted by systematically modeling the side-chain structures of the mutated as well as those of its surrounding residues using fixed main-chain structures and assessing inter-atomic steric clashes. More accurate and reliable predictions require considering sub-angstrom main-chain deformation, which remains a challenging task. - Highlights: • We mutated L387I of DEN4 ED3 and examined its effects on structure and stability. • We modeled the side-chain of Ile"3"8"7 using DEN4 ED3's structure as a template. • We determined the crystal structure of DEN4-L387I and confirmed the modeling. • Side-chain repacking occurring around Ile"3"8"7 involved >3 inter-connected residues. • These results explained why L387I mutation in DEN4 ED3 conserves thermostability.

  20. Regularity of solutions of a phase field model

    KAUST Repository

    Amler, Thomas; Botkin, Nikolai D.; Hoffmann, Karl Heinz; Ruf, K. A.

    2013-01-01

    are proved in the case of nonsmooth initial data. Continuity of solutions with respect to time is established. In particular, it is shown that the governing initial boundary value problem can be considered as a dynamical system. © 2013 International Press.

  1. Some exact solutions of magnetized viscous model in string ...

    Indian Academy of Sciences (India)

    Recently, the string cosmology has received considerable attention in the ... require a quantum theory of gravity, for which string theory seems to be the most promis- ..... where d2 is a constant of integration, which is taken as unity without the loss of ..... The solutions present interesting features in the presence of vis-.

  2. Travelling wave solutions to nonlinear physical models by means of ...

    Indian Academy of Sciences (India)

    Abstract. This paper presents the first integral method to carry out the integration of nonlinear ... NPDEs is an important and attractive research area. Not all ... cial types of analytic solutions to understand biological, physical and chemical phenomena ... Thus, based on the qualitative theory of ordinary differential equations.

  3. Solutions for Failing High Schools: Converging Visions and Promising Models.

    Science.gov (United States)

    Legters, Nettie; Balfanz, Robert; McPartland, James

    Promising solutions to the failings of traditional comprehensive high schools were reviewed to identify basic principles and strategies for improving high schools nationwide. Selected research studies, policy documents, and promising high school programs were reviewed. The review revealed the following principles for helping high schools better…

  4. Solute transport modelling with the variable temporally dependent ...

    Indian Academy of Sciences (India)

    Pintu Das

    2018-02-07

    Feb 7, 2018 ... in a finite domain with time-dependent sources and dis- tance-dependent dispersivities. Also, existing ... solute transport in multi-layered porous media using gen- eralized integral transform technique with .... methods for solving the fractional reaction-–sub-diffusion equation. To solve numerically the Eqs.

  5. Review of Modelling Approaches for Developing Virtual Natural Lighting Solutions

    NARCIS (Netherlands)

    Mangkuto, R.A.; Ochoa Morales, C.E.; Aries, M.B.C.; Loenen, van E.J.; Hensen, J.L.M.

    2011-01-01

    Several studies have shown that natural light is preferred over electrical lighting in built environments. It has positive effects on user satisfaction, health, and energy saving. However, natural light is limited by time and space. A possible solution is to apply the new concept of virtual natural

  6. A Framework to Implement IoT Network Performance Modelling Techniques for Network Solution Selection

    Directory of Open Access Journals (Sweden)

    Declan T. Delaney

    2016-12-01

    Full Text Available No single network solution for Internet of Things (IoT networks can provide the required level of Quality of Service (QoS for all applications in all environments. This leads to an increasing number of solutions created to fit particular scenarios. Given the increasing number and complexity of solutions available, it becomes difficult for an application developer to choose the solution which is best suited for an application. This article introduces a framework which autonomously chooses the best solution for the application given the current deployed environment. The framework utilises a performance model to predict the expected performance of a particular solution in a given environment. The framework can then choose an apt solution for the application from a set of available solutions. This article presents the framework with a set of models built using data collected from simulation. The modelling technique can determine with up to 85% accuracy the solution which performs the best for a particular performance metric given a set of solutions. The article highlights the fractured and disjointed practice currently in place for examining and comparing communication solutions and aims to open a discussion on harmonising testing procedures so that different solutions can be directly compared and offers a framework to achieve this within IoT networks.

  7. A Framework to Implement IoT Network Performance Modelling Techniques for Network Solution Selection.

    Science.gov (United States)

    Delaney, Declan T; O'Hare, Gregory M P

    2016-12-01

    No single network solution for Internet of Things (IoT) networks can provide the required level of Quality of Service (QoS) for all applications in all environments. This leads to an increasing number of solutions created to fit particular scenarios. Given the increasing number and complexity of solutions available, it becomes difficult for an application developer to choose the solution which is best suited for an application. This article introduces a framework which autonomously chooses the best solution for the application given the current deployed environment. The framework utilises a performance model to predict the expected performance of a particular solution in a given environment. The framework can then choose an apt solution for the application from a set of available solutions. This article presents the framework with a set of models built using data collected from simulation. The modelling technique can determine with up to 85% accuracy the solution which performs the best for a particular performance metric given a set of solutions. The article highlights the fractured and disjointed practice currently in place for examining and comparing communication solutions and aims to open a discussion on harmonising testing procedures so that different solutions can be directly compared and offers a framework to achieve this within IoT networks.

  8. An isotherm-based thermodynamic model of multicomponent aqueous solutions, applicable over the entire concentration range.

    Science.gov (United States)

    Dutcher, Cari S; Ge, Xinlei; Wexler, Anthony S; Clegg, Simon L

    2013-04-18

    In previous studies (Dutcher et al. J. Phys. Chem. C 2011, 115, 16474-16487; 2012, 116, 1850-1864), we derived equations for the Gibbs energy, solvent and solute activities, and solute concentrations in multicomponent liquid mixtures, based upon expressions for adsorption isotherms that include arbitrary numbers of hydration layers on each solute. In this work, the long-range electrostatic interactions that dominate in dilute solutions are added to the Gibbs energy expression, thus extending the range of concentrations for which the model can be used from pure liquid solute(s) to infinite dilution in the solvent, water. An equation for the conversion of the reference state for solute activity coefficients to infinite dilution in water has been derived. A number of simplifications are identified, notably the equivalence of the sorption site parameters r and the stoichiometric coefficients of the solutes, resulting in a reduction in the number of model parameters. Solute concentrations in mixtures conform to a modified Zdanovskii-Stokes-Robinson mixing rule, and solute activity coefficients to a modified McKay-Perring relation, when the effects of the long-range (Debye-Hückel) term in the equations are taken into account. Practical applications of the equations to osmotic and activity coefficients of pure aqueous electrolyte solutions and mixtures show both satisfactory accuracy from low to high concentrations, together with a thermodynamically reasonable extrapolation (beyond the range of measurements) to extreme concentration and to the pure liquid solute(s).

  9. Solute activity coefficients in dilute aqueous electrolyte mixutes. III. The ternary system HCLO4 + UO2(CLO4)2 + H2O at 250C

    International Nuclear Information System (INIS)

    Boyd, G.E.

    1977-01-01

    Isopiestic vapor pressure comparison measurements were conducted with the three-component system HClO 4 + UO 2 (ClO 4 ) 2 + H 2 O in the concentration range between I = 0.05 and 1.9 m. Analysis of the mixture composition and concentration dependence of the osmotic coefficients with the Scatchard neutral-electrolyte and ion-component methods and with the Pitzer ion-component methods gave equally satisfactory results. Prediction of the observed osmotic coefficients by two-component approximations was satisfactory, and the data agreed well with values estimated with a model based on the osmolal fraction. A fair concordance was also found between predicted solute activity coefficients from simple models and values derived from complete treatments which included interaction terms

  10. Yeast as a Heterologous Model System to Uncover Type III Effector Function.

    Directory of Open Access Journals (Sweden)

    Crina Popa

    2016-02-01

    Full Text Available Type III effectors (T3E are key virulence proteins that are injected by bacterial pathogens inside the cells of their host to subvert cellular processes and contribute to disease. The budding yeast Saccharomyces cerevisiae represents an important heterologous system for the functional characterisation of T3E proteins in a eukaryotic environment. Importantly, yeast contains eukaryotic processes with low redundancy and are devoid of immunity mechanisms that counteract T3Es and mask their function. Expression in yeast of effectors from both plant and animal pathogens that perturb conserved cellular processes often resulted in robust phenotypes that were exploited to elucidate effector functions, biochemical properties, and host targets. The genetic tractability of yeast and its amenability for high-throughput functional studies contributed to the success of this system that, in recent years, has been used to study over 100 effectors. Here, we provide a critical view on this body of work and describe advantages and limitations inherent to the use of yeast in T3E research. "Favourite" targets of T3Es in yeast are cytoskeleton components and small GTPases of the Rho family. We describe how mitogen-activated protein kinase (MAPK signalling, vesicle trafficking, membrane structures, and programmed cell death are also often altered by T3Es in yeast and how this reflects their function in the natural host. We describe how effector structure-function studies and analysis of candidate targeted processes or pathways can be carried out in yeast. We critically analyse technologies that have been used in yeast to assign biochemical functions to T3Es, including transcriptomics and proteomics, as well as suppressor, gain-of-function, or synthetic lethality screens. We also describe how yeast can be used to select for molecules that block T3E function in search of new antibacterial drugs with medical applications. Finally, we provide our opinion on the limitations

  11. Impairment of Vision in a Mouse Model of Usher Syndrome Type III.

    Science.gov (United States)

    Tian, Guilian; Lee, Richard; Ropelewski, Philip; Imanishi, Yoshikazu

    2016-03-01

    The purpose of this study was to obtain an Usher syndrome type III mouse model with retinal phenotype. Speed congenic method was used to obtain Clrn1 exon 1 knockout (Clrn1-/-) and Clrn1N48K knockin (Clrn1N48K/N48K) mice under A/J background. To study the retinal functions of these mice, we measured scotopic and photopic ERG responses. To observe if there are any structural abnormalities, we conducted light and transmission electron microscopy of fixed retinal specimens. In 3-month-old Clrn1-/- mice, scotopic b-wave amplitude was reduced by more than 25% at the light intensities from -2.2 to 0.38 log cd·s/m2, but scotopic a-wave amplitudes were comparable to those of age-matched wild type mice at all the light intensities tested. In 9-month-old Clrn1-/- mice, scotopic b-wave amplitudes were further reduced by more than 35%, and scotopic a-wave amplitude also showed a small decline as compared with wild type mice. Photopic ERG responses were comparable between Clrn1-/- and wild type mice. Those electrophysiological defects were not associated with a loss of rods. In Clrn1N48K/N48K mice, both a- and b-wave amplitudes were not discernable from those of wild type mice aged up to 10 months. Mutations that are Clrn1-/- biallelic cause visual defects when placed under A/J background. The absence of apparent rod degeneration suggests that the observed phenotype is due to functional defects, and not due to loss of rods. Biallelic Clrn1N48K/N48K mutations did not cause discernible visual defects, suggesting that Clrn1- allele is more severely dysfunctional than ClrnN48K allele.

  12. New Exact Solutions for New Model Nonlinear Partial Differential Equation

    OpenAIRE

    Maher, A.; El-Hawary, H. M.; Al-Amry, M. S.

    2013-01-01

    In this paper we propose a new form of Padé-II equation, namely, a combined Padé-II and modified Padé-II equation. The mapping method is a promising method to solve nonlinear evaluation equations. Therefore, we apply it, to solve the combined Padé-II and modified Padé-II equation. Exact travelling wave solutions are obtained and expressed in terms of hyperbolic functions, trigonometric functions, rational functions, and elliptic functions.

  13. Applications of stochastic models to solute transport in fractured rocks

    International Nuclear Information System (INIS)

    Gelhar, L.W.

    1987-01-01

    A stochastic theory for flow and solute transport in a single variable aperture fracture bounded by sorbing porous matrix into which solutes may diffuse, is developed using a perturbation approximation and spectral solution techniques which assume local statistical homogeneity. The theory predicts that the effective aperture of the fracture for mean solute displacement will be larger than the aperture required to calculate the large-scale flow resistance of the fracture. This ratio of apertures is a function of the variance of the logarithm of the apertures. The theory also predicts the macrodispersion coefficient for large-scale transport in the fracture. The resulting macrodispersivity is proportional to the variance of the logaperture and to its correlation scale. When variable surface sorption is included, it is found that the macrodispersivity is increased significantly, in some cases more than an order of magnitude. It is also shown that the effective retardation coefficient for the sorptively heterogeneous fracture is found by simply taking the arithmetic mean of the local surface sorption coefficient. Matrix diffusion is also shown to increase the fracture macrodispesivity at very large times. A reexamination of the results of four different field tracer tests in crystalline rock in Sweden and Canada shows aperture ratios and dispersivities that are consistent with the stochastic theory. The variance of the natural logarithm of the aperture is found to be in the range of 3 to 6 and the correlation scales for logaperture ranges from .2 to 1.2 meters. Detailed recommendations for additional field investigations at scales ranging from a few meters up to a kilometer are presented. (orig.)

  14. Multi-scale modelling of uranyl chloride solutions

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Thanh-Nghi; Duvail, Magali, E-mail: magali.duvail@icsm.fr; Villard, Arnaud; Dufrêche, Jean-François, E-mail: jean-francois.dufreche@univ-montp2.fr [Institut de Chimie Séparative de Marcoule (ICSM), UMR 5257, CEA-CNRS-Université Montpellier 2-ENSCM, Site de Marcoule, Bâtiment 426, BP 17171, F-30207 Bagnols-sur-Cèze Cedex (France); Molina, John Jairo [Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyo-ku, Kyoto 606-8103 (Japan); Guilbaud, Philippe [CEA/DEN/DRCP/SMCS/LILA, Marcoule, F-30207 Bagnols-sur-Cèze Cedex (France)

    2015-01-14

    Classical molecular dynamics simulations with explicit polarization have been successfully used to determine the structural and thermodynamic properties of binary aqueous solutions of uranyl chloride (UO{sub 2}Cl{sub 2}). Concentrated aqueous solutions of uranyl chloride have been studied to determine the hydration properties and the ion-ion interactions. The bond distances and the coordination number of the hydrated uranyl are in good agreement with available experimental data. Two stable positions of chloride in the second hydration shell of uranyl have been identified. The UO{sub 2}{sup 2+}-Cl{sup −} association constants have also been calculated using a multi-scale approach. First, the ion-ion potential averaged over the solvent configurations at infinite dilution (McMillan-Mayer potential) was calculated to establish the dissociation/association processes of UO{sub 2}{sup 2+}-Cl{sup −} ion pairs in aqueous solution. Then, the association constant was calculated from this potential. The value we obtained for the association constant is in good agreement with the experimental result (K{sub UO{sub 2Cl{sup +}}} = 1.48 l mol{sup −1}), but the resulting activity coefficient appears to be too low at molar concentration.

  15. New methods For Modeling Transport Of Water And Solutes In Soils

    DEFF Research Database (Denmark)

    Møldrup, Per

    Recent models for water and solute transport in unsaturated soils have been mechanistically based but numerically very involved. This dissertation concerns the development of mechanistically-based but numerically simple models for calculating and analyzing transport of water and solutes in soil...

  16. Steel corrosion resistance in model solutions and reinforced mortar containing wastes

    NARCIS (Netherlands)

    Koleva, D.A.; Van Breugel, K.

    2012-01-01

    This work reports on the corrosion resistance of steel in alkaline model solutions and in cement-based materials (mortar). The model solutions and the mortar specimens were Ordinary Portland Cement (OPC) based. Further, hereby discussed is the implementation of an eco-friendly approach of waste

  17. Stochastic forward and inverse groundwater flow and solute transport modeling

    NARCIS (Netherlands)

    Janssen, G.M.C.M.

    2008-01-01

    Keywords: calibration, inverse modeling, stochastic modeling, nonlinear biodegradation, stochastic-convective, advective-dispersive, travel time, network design, non-Gaussian distribution, multimodal distribution, representers

    This thesis offers three new approaches that contribute

  18. Modeling hydrate formation conditions in the presence of electrolytes and polar inhibitor solutions

    International Nuclear Information System (INIS)

    Osfouri, Shahriar; Azin, Reza; Gholami, Reza; Izadpanah, Amir Abbas

    2015-01-01

    Highlights: • A new predictive model is proposed for prediction of hydrate formation pressures. • A new local composition model was used to evaluate water activity in the presence of electrolyte. • MEG, DEG and TEG were used to test ability of the proposed model in the presence of polar inhibitors. • Cage occupancies by methane for the small cage were higher than carbon dioxide for gas mixtures. • The proposed model gives better match with experimental data in mixed electrolyte solutions. - Abstract: In this paper, a new predictive model is proposed for prediction of gas hydrate formation conditions in the presence of single and mixed electrolytes and solutions containing both electrolyte and a polar inhibitor such as monoethylene glycol (MEG), diethylene glycol (DEG) and triethylene glycol (TEG). The proposed model is based on the γ–φ approach, which uses modified Patel–Teja equation of state (VPT EOS) for characterizing the vapor phase, the solid solution theory by van der Waals and Platteeuw for modeling the hydrate phase, the non-electrolyte NRTL-NRF local composition model and Pitzer–Debye–Huckel equation as short-range and long-range contributions to calculate water activity in single electrolyte solutions. Also, the Margules equation was used to determine the activity of water in solutions containing polar inhibitor (glycols). The model predictions are in acceptable agreement with experimental data. For single electrolyte solutions, the model predictions are similar to available models, while for mixtures of electrolytes and mixtures of electrolytes and inhibitors, the proposed model gives significantly better predictions. In addition, the absolute average deviation of hydrate formation pressures (AADP) for 144 experimental data in solutions containing single electrolyte is 5.86% and for 190 experimental data in mixed electrolytes solutions is 5.23%. Furthermore, the proposed model has an AADP of 14.13%, 5.82% and 5.28% in solutions

  19. Toward a Mesoscale Model for the Dynamics of Polymer Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Miller, G H; Trebotich, D

    2006-10-02

    To model entire microfluidic systems containing solvated polymers we argue that it is necessary to have a numerical stability constraint governed only by the advective CFL condition. Advancements in the treatment of Kramers bead-rod polymer models are presented to enable tightly-coupled fluid-particle algorithms in the context of system-level modeling.

  20. Does a peer model's task proficiency influence children's solution choice and innovation?

    Science.gov (United States)

    Wood, Lara A; Kendal, Rachel L; Flynn, Emma G

    2015-11-01

    The current study investigated whether 4- to 6-year-old children's task solution choice was influenced by the past proficiency of familiar peer models and the children's personal prior task experience. Peer past proficiency was established through behavioral assessments of interactions with novel tasks alongside peer and teacher predictions of each child's proficiency. Based on these assessments, one peer model with high past proficiency and one age-, sex-, dominance-, and popularity-matched peer model with lower past proficiency were trained to remove a capsule using alternative solutions from a three-solution artificial fruit task. Video demonstrations of the models were shown to children after they had either a personal successful interaction or no interaction with the task. In general, there was not a strong bias toward the high past-proficiency model, perhaps due to a motivation to acquire multiple methods and the salience of other transmission biases. However, there was some evidence of a model-based past-proficiency bias; when the high past-proficiency peer matched the participants' original solution, there was increased use of that solution, whereas if the high past-proficiency peer demonstrated an alternative solution, there was increased use of the alternative social solution and novel solutions. Thus, model proficiency influenced innovation. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Lifitegrast Ophthalmic Solution 5.0% versus Placebo for Treatment of Dry Eye Disease: Results of the Randomized Phase III OPUS-2 Study.

    Science.gov (United States)

    Tauber, Joseph; Karpecki, Paul; Latkany, Robert; Luchs, Jodi; Martel, Joseph; Sall, Kenneth; Raychaudhuri, Aparna; Smith, Valerie; Semba, Charles P

    2015-12-01

    Lifitegrast is an integrin antagonist that decreases T-cell-mediated inflammation associated with dry eye disease (DED). We report the results of OPUS-2, a phase III study evaluating the efficacy and safety of lifitegrast compared with placebo for the treatment of DED. A 12-week, multicenter, randomized, prospective, double-masked, placebo-controlled clinical trial. Adults aged ≥18 years with use of artificial tears within 30 days, inferior corneal staining score ≥0.5 (0-4 scale), Schirmer tear test (without anesthesia) ≥1 and ≤10 mm, and eye dryness score ≥40 (0-100 visual analogue scale [VAS]). Subjects were randomized 1:1 after 14-day placebo run-in to lifitegrast ophthalmic solution 5.0% or placebo twice daily for 84 days. Co-primary efficacy end points were change, from baseline to day 84, in eye dryness score (VAS, both eyes) and inferior corneal fluorescein staining score in the designated study eye. Secondary end points were change, from baseline to day 84, in ocular discomfort score (0-4 scale) in study eye, eye discomfort score (VAS), total corneal staining score in the study eye, and nasal conjunctival lissamine green staining score (0-4 scale) in the study eye. Treatment-emergent adverse events (TEAEs) were recorded. A total of 718 subjects were randomized: placebo, n = 360; lifitegrast, n = 358 (intent-to-treat population). Lifitegrast-treated subjects experienced greater improvement in eye dryness than placebo-treated subjects (treatment effect, 12.61; 95% confidence interval [CI], 8.51-16.70; P < 0.0001). There was no between-group difference in inferior corneal staining (treatment effect, 0.03; 95% CI, -0.10 to 0.17; P = 0.6186). There was nominally significant improvement of secondary symptom end points among lifitegrast-treated subjects: ocular discomfort (nominal P = 0.0005) and eye discomfort (nominal, P < 0.0001). There were no between-group differences on secondary signs: total corneal staining and nasal lissamine staining. More

  2. The elastic solid solution model for minerals at high pressures and temperatures

    Science.gov (United States)

    Myhill, R.

    2018-02-01

    Non-ideality in mineral solid solutions affects their elastic and thermodynamic properties, their thermobaric stability, and the equilibrium phase relations in multiphase assemblages. At a given composition and state of order, non-ideality in minerals is typically modelled via excesses in Gibbs free energy which are either constant or linear with respect to pressure and temperature. This approach has been extremely successful when modelling near-ideal solutions. However, when the lattice parameters of the solution endmembers differ significantly, extrapolations of thermodynamic properties to high pressures using these models may result in significant errors. In this paper, I investigate the effect of parameterising solution models in terms of the Helmholtz free energy, treating volume (or lattice parameters) rather than pressure as an independent variable. This approach has been previously applied to models of order-disorder, but the implications for the thermodynamics and elasticity of solid solutions have not been fully explored. Solid solution models based on the Helmholtz free energy are intuitive at a microscopic level, as they automatically include the energetic contribution from elastic deformation of the endmember lattices. A chemical contribution must also be included in such models, which arises from atomic exchange within the solution. Derivations are provided for the thermodynamic properties of n-endmember solutions. Examples of the use of the elastic model are presented for the alkali halides, pyroxene, garnet, and bridgmanite solid solutions. Elastic theory provides insights into the microscopic origins of non-ideality in a range of solutions, and can make accurate predictions of excess enthalpies, entropies, and volumes as a function of volume and temperature. In solutions where experimental data are sparse or contradictory, the Helmholtz free energy approach can be used to assess the magnitude of excess properties and their variation as a function

  3. Maintenance of EGFR and EGFRvIII expressions in an in vivo and in vitro model of human glioblastoma multiforme

    DEFF Research Database (Denmark)

    Stockhausen, Marie-Thérése; Broholm, Helle; Villingshøj, Mette

    2011-01-01

    Glioblastoma multiforme (GBM) is the most common, and most aggressive primary brain tumor among adults. A vast majority of the tumors express high levels of the epidermal growth factor receptor (EGFR) as a consequence of gene amplification. Furthermore, gene amplification is often associated...... with mutation of EGFR, and the constitutive activated deletion variant EGFRvIII is the most common EGFR mutation found in GBM. Activated EGFR signaling, through overexpression and/or mutation, is involved in increased tumorigenic potential. As such, EGFR is an attractive target for GBM therapy. However......, clinical studies with EGFR inhibitors have shown inconsistent results, and as such, further knowledge regarding the role of EGFR and EGFRvIII in GBM is needed. For this, an appropriate in vivo/in vitro tumor model is required. Here, we report the establishment of an experimental GBM model in which...

  4. Kinetic model building using advanced nuclear medicine techniques: the kinetics of chromium(III) in the human body

    International Nuclear Information System (INIS)

    Lim, T.H.

    1978-06-01

    The purpose of this study is to investigate whether a valid index of chromium (III) nutritional status can be determined with satisfaction through in vivo kinetic analysis. Three normal subjects and three patients suffering from hemochromatosis were periodically scanned with the Donner Laboratory computerized whole body scanners, starting seconds after radiochromium(III) was administered intravenously, up to a period of 84 days. The activity in the liver, adipose and muscle tissues, spleen and bone was quantitated and corrected, by subtraction of the blood circulation activity in that organ; the major concentration was found in the liver and spleen. From the series of scan images, a kinetic model for the radiochromium(III) metabolic pathway was constructed. Computer analysis showed a significant difference between the two classes of subjects in organs as well as whole body radiochromium(III) transfer. Interpretation of these results showed that in patients with excessive iron stores, a smaller amount of chromium bound to plasma protein was found and a corresponding decrease in transfer of chromium into stores in the liver and other tissues was also found

  5. EEG-distributed inverse solutions for a spherical head model

    Science.gov (United States)

    Riera, J. J.; Fuentes, M. E.; Valdés, P. A.; Ohárriz, Y.

    1998-08-01

    The theoretical study of the minimum norm solution to the MEG inverse problem has been carried out in previous papers for the particular case of spherical symmetry. However, a similar study for the EEG is remarkably more difficult due to the very complicated nature of the expression relating the voltage differences on the scalp to the primary current density (PCD) even for this simple symmetry. This paper introduces the use of the electric lead field (ELF) on the dyadic formalism in the spherical coordinate system to overcome such a drawback using an expansion of the ELF in terms of longitudinal and orthogonal vector fields. This approach allows us to represent EEG Fourier coefficients on a 2-sphere in terms of a current multipole expansion. The choice of a suitable basis for the Hilbert space of the PCDs on the brain region allows the current multipole moments to be related by spatial transfer functions to the PCD spectral coefficients. Properties of the most used distributed inverse solutions are explored on the basis of these results. Also, a part of the ELF null space is completely characterized and those spherical components of the PCD which are possible silent candidates are discussed.

  6. Enhanced FAA-hybrid III numerical dummy model in Madymo for aircraft occupant safety assessment

    NARCIS (Netherlands)

    Boucher, H.; Waagmeester, C.D.

    2003-01-01

    To improve survivability and to minimize the risk of injury to occupants in helicopter crash events, a complete Cabin Safety System concept including safety features and an enhanced FAA-Hybrid III dummy were developed within the HeliSafe project. A numerical tool was also created and validated to

  7. Classical solutions of non-linear sigma-models and their quantum fluctuations

    International Nuclear Information System (INIS)

    Din, A.M.

    1980-05-01

    I study the properties of O(N) and CPsup(n-1) non-linear sigma-models in the two dimensional Euclidean space. All classical solutions of the equations of motion can be characterized and in the CPsup(n-1) model they can be expressed in a simple and explicit way in terms of holomorphic vectors. The topological winding number and the action of the general CPsup(n-1) solution can be evaluated and the latter turns out always to be a integer multiple of 2π. I further discuss the stability of the solutions and the problem of one-loop calculations of quantum fluctuations around classical solutions

  8. Algebraic Traveling Wave Solutions of a Non-local Hydrodynamic-type Model

    International Nuclear Information System (INIS)

    Chen, Aiyong; Zhu, Wenjing; Qiao, Zhijun; Huang, Wentao

    2014-01-01

    In this paper we consider the algebraic traveling wave solutions of a non-local hydrodynamic-type model. It is shown that algebraic traveling wave solutions exist if and only if an associated first order ordinary differential system has invariant algebraic curve. The dynamical behavior of the associated ordinary differential system is analyzed. Phase portraits of the associated ordinary differential system is provided under various parameter conditions. Moreover, we classify algebraic traveling wave solutions of the model. Some explicit formulas of smooth solitary wave and cuspon solutions are obtained

  9. Method of model reduction and multifidelity models for solute transport in random layered porous media

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhijie; Tartakovsky, Alexandre M.

    2017-09-01

    This work presents a hierarchical model for solute transport in bounded layered porous media with random permeability. The model generalizes the Taylor-Aris dispersion theory to stochastic transport in random layered porous media with a known velocity covariance function. In the hierarchical model, we represent (random) concentration in terms of its cross-sectional average and a variation function. We derive a one-dimensional stochastic advection-dispersion-type equation for the average concentration and a stochastic Poisson equation for the variation function, as well as expressions for the effective velocity and dispersion coefficient. We observe that velocity fluctuations enhance dispersion in a non-monotonic fashion: the dispersion initially increases with correlation length λ, reaches a maximum, and decreases to zero at infinity. Maximum enhancement can be obtained at the correlation length about 0.25 the size of the porous media perpendicular to flow.

  10. Modelling the exposure induced by a criticality excursion in solution

    International Nuclear Information System (INIS)

    Kerouanton, David; Delgovea, Laure; Castaniera, Eric; Raimondia, Nicolas

    2008-01-01

    During a criticality accident, significant exposure is generated by 4 radiation origins: radiation directly induced by fissions (prompt neutrons and gamma), gamma radiations induced by (n, γ) reactions in crossed materials (capture gamma) and gamma radiations emitted by fission products. Due to boiling of the solution, a fraction of fissions products is airborne and is deposited in the ventilation shafts. 5.10 18 fissions are considered in a dissolution tank containing uranyl nitrate by using the deterministic ATTILA radiation transport code. Instantaneous radiations rates are evaluated as a function of the distance and compared with data available in the literature. Dose rates induced behind various shielding materials such as concrete, steel or glass are assessed. In all cases, relative contributions of prompt or capture radiations is detailed. (author)

  11. Development and validation of a modified Hybrid-III six-year-old dummy model for simulating submarining in motor-vehicle crashes.

    Science.gov (United States)

    Hu, Jingwen; Klinich, Kathleen D; Reed, Matthew P; Kokkolaras, Michael; Rupp, Jonathan D

    2012-06-01

    In motor-vehicle crashes, young school-aged children restrained by vehicle seat belt systems often suffer from abdominal injuries due to submarining. However, the current anthropomorphic test device, so-called "crash dummy", is not adequate for proper simulation of submarining. In this study, a modified Hybrid-III six-year-old dummy model capable of simulating and predicting submarining was developed using MADYMO (TNO Automotive Safety Solutions). The model incorporated improved pelvis and abdomen geometry and properties previously tested in a modified physical dummy. The model was calibrated and validated against four sled tests under two test conditions with and without submarining using a multi-objective optimization method. A sensitivity analysis using this validated child dummy model showed that dummy knee excursion, torso rotation angle, and the difference between head and knee excursions were good predictors for submarining status. It was also shown that restraint system design variables, such as lap belt angle, D-ring height, and seat coefficient of friction (COF), may have opposite effects on head and abdomen injury risks; therefore child dummies and dummy models capable of simulating submarining are crucial for future restraint system design optimization for young school-aged children. Copyright © 2011 IPEM. Published by Elsevier Ltd. All rights reserved.

  12. Improved numerical solutions for chaotic-cancer-model

    Directory of Open Access Journals (Sweden)

    Muhammad Yasir

    2017-01-01

    Full Text Available In biological sciences, dynamical system of cancer model is well known due to its sensitivity and chaoticity. Present work provides detailed computational study of cancer model by counterbalancing its sensitive dependency on initial conditions and parameter values. Cancer chaotic model is discretized into a system of nonlinear equations that are solved using the well-known Successive-Over-Relaxation (SOR method with a proven convergence. This technique enables to solve large systems and provides more accurate approximation which is illustrated through tables, time history maps and phase portraits with detailed analysis.

  13. Improved numerical solutions for chaotic-cancer-model

    Science.gov (United States)

    Yasir, Muhammad; Ahmad, Salman; Ahmed, Faizan; Aqeel, Muhammad; Akbar, Muhammad Zubair

    2017-01-01

    In biological sciences, dynamical system of cancer model is well known due to its sensitivity and chaoticity. Present work provides detailed computational study of cancer model by counterbalancing its sensitive dependency on initial conditions and parameter values. Cancer chaotic model is discretized into a system of nonlinear equations that are solved using the well-known Successive-Over-Relaxation (SOR) method with a proven convergence. This technique enables to solve large systems and provides more accurate approximation which is illustrated through tables, time history maps and phase portraits with detailed analysis.

  14. A Local Composition Model for Paraffinic Solid Solutions

    DEFF Research Database (Denmark)

    Coutinho, A.P. João; Knudsen, Kim; Andersen, Simon Ivar

    1996-01-01

    The description of the solid-phase non-ideality remains the main obstacle in modelling the solid-liquid equilibrium of hydrocarbons. A theoretical model, based on the local composition concept, is developed for the orthorhombic phase of n-alkanes and tested against experimental data for binary sy...... systems. It is shown that it can adequately predict the experimental phase behaviour of paraffinic mixtures. This work extends the applicability of local composition models to the solid phase. Copyright (C) 1996 Elsevier Science Ltd....

  15. Development of a mathematical model of a packed column for benzene removal from salt solutions

    International Nuclear Information System (INIS)

    Georgeton, G.K.

    1989-01-01

    A mathematical model of a packed column was developed to describe the removal of benzene from radioactive salt solutions at the Savannah River Site. The model was developed from existing, generalized mass transfer correlations for randomly dumped packing, and the correlations were adapted for structured packing. Thermophysical data specific to the solutions of interest were incorporated into the model. Verification of the code was completed using operating data from stripping columns at other locations

  16. Development of Three-Layer Simulation Model for Freezing Process of Food Solution Systems

    Science.gov (United States)

    Kaminishi, Koji; Araki, Tetsuya; Shirakashi, Ryo; Ueno, Shigeaki; Sagara, Yasuyuki

    A numerical model has been developed for simulating freezing phenomena of food solution systems. The cell model was simplified to apply to food solution systems, incorporating with the existence of 3 parts such as unfrozen, frozen and moving boundary layers. Moreover, the moving rate of freezing front model was also introduced and calculated by using the variable space network method proposed by Murray and Landis (1957). To demonstrate the validity of the model, it was applied to the freezing processes of coffee solutions. Since the model required the phase diagram of the material to be frozen, the initial freezing temperatures of 1-55 % coffee solutions were measured by the DSC method. The effective thermal conductivity for coffee solutions was determined as a function of temperature and solute concentration by using the Maxwell - Eucken model. One-dimensional freezing process of 10 % coffee solution was simulated based on its phase diagram and thermo-physical properties. The results were good agreement with the experimental data and then showed that the model could accurately describe the change in the location of the freezing front and the distributions of temperature as well as ice fraction during a freezing process.

  17. Linear regression crash prediction models : issues and proposed solutions.

    Science.gov (United States)

    2010-05-01

    The paper develops a linear regression model approach that can be applied to : crash data to predict vehicle crashes. The proposed approach involves novice data aggregation : to satisfy linear regression assumptions; namely error structure normality ...

  18. Probabilistic Compositional Models: solution of an equivalence problem

    Czech Academy of Sciences Publication Activity Database

    Kratochvíl, Václav

    2013-01-01

    Roč. 54, č. 5 (2013), s. 590-601 ISSN 0888-613X R&D Projects: GA ČR GA13-20012S Institutional support: RVO:67985556 Keywords : Probabilistic model * Compositional model * Independence * Equivalence Subject RIV: BA - General Mathematics Impact factor: 1.977, year: 2013 http://library.utia.cas.cz/separaty/2013/MTR/kratochvil-0391079.pdf

  19. Empirical agent-based modelling challenges and solutions

    CERN Document Server

    Barreteau, Olivier

    2014-01-01

    This instructional book showcases techniques to parameterise human agents in empirical agent-based models (ABM). In doing so, it provides a timely overview of key ABM methodologies and the most innovative approaches through a variety of empirical applications.  It features cutting-edge research from leading academics and practitioners, and will provide a guide for characterising and parameterising human agents in empirical ABM.  In order to facilitate learning, this text shares the valuable experiences of other modellers in particular modelling situations. Very little has been published in the area of empirical ABM, and this contributed volume will appeal to graduate-level students and researchers studying simulation modeling in economics, sociology, ecology, and trans-disciplinary studies, such as topics related to sustainability. In a similar vein to the instruction found in a cookbook, this text provides the empirical modeller with a set of 'recipes'  ready to be implemented. Agent-based modeling (AB...

  20. Absolute instabilities of travelling wave solutions in a Keller-Segel model

    OpenAIRE

    Davis, P. N.; van Heijster, P.; Marangell, R.

    2016-01-01

    We investigate the spectral stability of travelling wave solutions in a Keller-Segel model of bacterial chemotaxis with a logarithmic chemosensitivity function and a constant, sublinear, and linear consumption rate. Linearising around the travelling wave solutions, we locate the essential and absolute spectrum of the associated linear operators and find that all travelling wave solutions have essential spectrum in the right half plane. However, we show that in the case of constant or sublinea...

  1. Exact solutions to a schematic nuclear quark model and colorless superconductivity

    DEFF Research Database (Denmark)

    Bohr, Henrik; da Providencia, Joao

    2008-01-01

    Exact solutions are found to the equations of a standard nuclear quark model exemplified by the Bonn model which is defined in terms of an effective pairing force. We show, by symmetry arguments, that, in general, the ground state of this model is not color neutral. In particular, color-neutral s......Exact solutions are found to the equations of a standard nuclear quark model exemplified by the Bonn model which is defined in terms of an effective pairing force. We show, by symmetry arguments, that, in general, the ground state of this model is not color neutral. In particular, color...

  2. Models for coolant void reactivity evaluation in Candu Generation II and III+

    International Nuclear Information System (INIS)

    Popov, Alexi V.; Chambon, Richard P.; Le Tellier, Romain; Marleau, Guy; Hebert, Alain

    2008-01-01

    In the simulation of large-break loss-of-coolant accidents, homogenised cross-sections from trans- port calculations are used. These are usually computed in single cells or lattices representative for an infinite repeated pattern. Large coolant accidents in Candu, however, usually exhibit a checkerboard pattern of cooled and voided channels represented by lattices. It is reasonable, therefore, that homogenised cross-sections be produced in assemblies of lattices. This allows simulating the checkerboard voiding pat- tern and more realistically reproducing the lattice boundary conditions. The result is better simulation of the accident and more precise evaluation of coolant-void reactivity. For the present study, homogenised cross-sections are generated in a 2x2 heterogeneous assembly of four lattices for Generation II and III+ Candu designs. Results of reactivity calculations with the reactor code are compared to those using the traditional method. The difference is significant for Generation III+ Candu. (authors)

  3. A Result on the Existence and Uniqueness of Stationary Solutions for a Bioconvective Flow Model

    Directory of Open Access Journals (Sweden)

    Aníbal Coronel

    2018-01-01

    Full Text Available In this note, we prove the existence and uniqueness of weak solutions for the boundary value problem modelling the stationary case of the bioconvective flow problem. The bioconvective model is a boundary value problem for a system of four equations: the nonlinear Stokes equation, the incompressibility equation, and two transport equations. The unknowns of the model are the velocity of the fluid, the pressure of the fluid, the local concentration of microorganisms, and the oxygen concentration. We derive some appropriate a priori estimates for the weak solution, which implies the existence, by application of Gossez theorem, and the uniqueness by standard methodology of comparison of two arbitrary solutions.

  4. Theory, Solution Methods, and Implementation of the HERMES Model

    Energy Technology Data Exchange (ETDEWEB)

    Reaugh, John E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); White, Bradley W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Curtis, John P. [Atomic Weapons Establishment (AWE), Reading, Berkshire (United Kingdom); Univ. College London (UCL), Gower Street, London (United Kingdom); Springer, H. Keo [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-07-13

    The HERMES (high explosive response to mechanical stimulus) model was developed over the past decade to enable computer simulation of the mechanical and subsequent energetic response of explosives and propellants to mechanical insults such as impacts, perforations, drops, and falls. The model is embedded in computer simulation programs that solve the non-linear, large deformation equations of compressible solid and fluid flow in space and time. It is implemented as a user-defined model, which returns the updated stress tensor and composition that result from the simulation supplied strain tensor change. Although it is multi-phase, in that gas and solid species are present, it is single-velocity, in that the gas does not flow through the porous solid. More than 70 time-dependent variables are made available for additional analyses and plotting. The model encompasses a broad range of possible responses: mechanical damage with no energetic response, and a continuous spectrum of degrees of violence including delayed and prompt detonation. This paper describes the basic workings of the model.

  5. Extended UNIQUAC model for thermodynamic modeling of CO2 absorption in aqueous alkanolamine solutions

    DEFF Research Database (Denmark)

    Faramarzi, Leila; Kontogeorgis, Georgios; Thomsen, Kaj

    2009-01-01

    The extended UNIQUAC model [K. Thomsen, R Rasmussen, Chem. Eng. Sci. 54 (1999) 1787-1802] was applied to the thermodynamic representation of carbon dioxide absorption in aqueous monoethanolamine (MEA), methyldiethanolamine (MDEA) and varied strength mixtures of the two alkanolamines (MEA-MDEA). F......The extended UNIQUAC model [K. Thomsen, R Rasmussen, Chem. Eng. Sci. 54 (1999) 1787-1802] was applied to the thermodynamic representation of carbon dioxide absorption in aqueous monoethanolamine (MEA), methyldiethanolamine (MDEA) and varied strength mixtures of the two alkanolamines (MEA......) are included in the parameter estimation process. The previously unavailable standard state properties of the alkanolamine ions appearing in this work, i.e. MEA protonate, MEA carbamate and MDEA protonate are determined. The concentration of the species in both MEA and MDEA solutions containing CO2...

  6. Analytical and Numerical solutions of a nonlinear alcoholism model via variable-order fractional differential equations

    Science.gov (United States)

    Gómez-Aguilar, J. F.

    2018-03-01

    In this paper, we analyze an alcoholism model which involves the impact of Twitter via Liouville-Caputo and Atangana-Baleanu-Caputo fractional derivatives with constant- and variable-order. Two fractional mathematical models are considered, with and without delay. Special solutions using an iterative scheme via Laplace and Sumudu transform were obtained. We studied the uniqueness and existence of the solutions employing the fixed point postulate. The generalized model with variable-order was solved numerically via the Adams method and the Adams-Bashforth-Moulton scheme. Stability and convergence of the numerical solutions were presented in details. Numerical examples of the approximate solutions are provided to show that the numerical methods are computationally efficient. Therefore, by including both the fractional derivatives and finite time delays in the alcoholism model studied, we believe that we have established a more complete and more realistic indicator of alcoholism model and affect the spread of the drinking.

  7. Adsorption of Sr(II) and Eu(III) on Na-rectorite. Effect of pH, ionic strength, concentration and modelling

    Energy Technology Data Exchange (ETDEWEB)

    Hu, J.; Wang, X.K. [School of Nuclear Science and Engineering, North China Electric Power Univ., BJ (China); Key Lab. of Novel Thin Film Solar Cells, Inst. of Plasma Physics, Chinese Academy of Sciences, Hefei (China); Chen, C.L.; Sheng, G.D.; Li, J.X. [Key Lab. of Novel Thin Film Solar Cells, Inst. of Plasma Physics, Chinese Academy of Sciences, Hefei (China); Chen, Y.X. [School of Nuclear Science and Engineering, North China Electric Power Univ., BJ (China)

    2010-07-01

    The surface charge characteristics of Na-rectorite (NaAl{sub 4}[Si,Al]{sub 8}O{sub 20}(OH){sub 4}.nH{sub 2}O;) were studied by potentiometric acid-base titrations. Sr(II) and Eu(III) adsorptions on Na-rectorite as a function of pH, ionic strength, and Sr(II)/Eu(III) concentrations were carried out to investigate the surface interactions between Sr(II)/Eu(III) with Na-rectorite. The results indicated that the adsorptions of Sr(II) and Eu(III) on Na-rectorite increased with increasing pH and decreased with increasing ionic strength and initial Sr(II)/Eu(III) concentrations, and that the affinity of Na-rectorite for Eu(III) was much higher than for Sr(II). The experimental data of Sr(II)/Eu(III) adsorption were simulated by the diffuse-layer model (DLM) well with the aid of FITEQL 3.2. Simultaneous adsorptions of Sr(II) and Eu(III) on Na-rectorite were also modeled using the DLM. The adsorption mechanisms of Sr(II) and Eu(III) on Na-rectorite may be dominated by ion exchange interaction at low pH or moderate pH, and by surface complexation interaction at high pH. (orig.)

  8. Encyclopedia of two-phase heat transfer and flow III macro and micro flow boiling and numerical modeling fundamentals

    CERN Document Server

    2018-01-01

    Set III of this encyclopedia is a new addition to the previous Sets I and II. It contains 26 invited chapters from international specialists on the topics of numerical modeling of two-phase flows and evaporation, fundamentals of evaporation and condensation in microchannels and macrochannels, development and testing of micro two-phase cooling systems for electronics, and various special topics (surface wetting effects, microfin tubes, two-phase flow vibration across tube bundles). The chapters are written both by renowned university researchers and by well-known engineers from leading corporate research laboratories. Numerous "must read" chapters cover the fundamentals of research and engineering practice on boiling, condensation and two-phase flows, two-phase heat transfer equipment, electronics cooling systems, case studies and so forth. Set III constitutes a "must have" reference together with Sets I and II for thermal engineering researchers and practitioners.

  9. The Swedish Model in Employment. Post-Crisis Solutions

    Directory of Open Access Journals (Sweden)

    Mirela Ionela ACELEANU

    2012-04-01

    Full Text Available The Swedish model in the field of employment is part of the Nordic countries model focused on labour market flexibility in terms of a generous welfare system. This paper presents the characteristics of this model and its application effects in Sweden before and after the current crisis. According to specialized studies and registered indicators, Sweden has very good results in terms of general well-being, quality of life, employment of labour resources, being among the top countries. Thus, since the experience of the developed countries should be a benchmark for the developing countries, the purpose of the paper is to identify some measures that can be applied in Romania to improve employment, economic and social policies.

  10. Thermal sensation and comfort models for non-uniform and transient environments: Part III: whole-body sensation and comfort

    OpenAIRE

    Zhang, Hui; Arens, Edward; Huizenga, Charlie; Han, Taeyoung

    2009-01-01

    A three-part series presents the development of models for predicting the local thermal sensation (Part I) and local thermal comfort (Part II) of different parts of the human body, and also the whole-body sensation and comfort (Part III) that result from combinations of local sensation and comfort. The models apply to sedentary activities in a range of environments: uniform and non-uniform, stable and transient. They are based on diverse findings from the literature and from body-part-specifi...

  11. Effects of Ligands on a Ternary Hydroxo Complex Formation with Eu(III) in a Aqueous Solution: Comparison of a Pyridine-2,6-dicarboxylate with a Phthalate

    International Nuclear Information System (INIS)

    Park, K. K.; Cho, H. R.; Kim, W. H.; Jung, E. C.

    2008-01-01

    The interaction of a radionuclide with ligands in a groundwater influences its migration through a hydrogeological system due to a change in the characteristics of a dissolution and a sorption. Actinide ions are classified as a hard acid and strongly interact with ligands having an oxygen donor atom of a hard base such as a hydroxide, carbonate and carboxylate. These ligands reveal a large ionic bonding character. A number of experimental results on a binary complex formation of actinides have been reported. However, actinides may easily form a ternary complex by interacting simultaneously with two different ligands, since an ionic bonding does not restrict the spatial orientation of a ligand. In previous studies, a ternary hydroxo complex formation was investigated by using pyridine-2,6-dicarboxylate (PDA) or phthalate as an organic ligand and Eu(III) as an analogue of an actinide(III) ion. Although these organic ligands equally contain two carboxylate groups that interact with an Eu(III) ion, their stabilities reveal big differences. PDA is a tridentate ligand forming two 5-membered chelates, while phthalate is a bidentate ligand forming a 7-membered chelate. The latter reveals a lower stability than the former due to an angle strain. This is one of the reasons for the lower stability of the Eu(III)-phthalate than that of the Eu(III)- PDA. The difference in the stabilities of binary complexes, EuL + (L=organic ligand), influences the stabilities of the ternary hydroxo complexes, Eu(OH)L. The coordination of a phenylic or pyridine ligand can greatly enhance the fluorescence of an Eu(III) ion due to the high absorbance of a ligand by a π → π * transition and the transfer of this energy to an Eu(III) ion. These fluorescence characteristics in a binary complex system could be changed in a ternary complex. In this study, the effect of a ligand on the stability of a ternary hydroxo complex is reported by comparing the stabilities of Eu-PDA with Eu-phthalate systems

  12. Positive Periodic Solutions of an Epidemic Model with Seasonality

    Directory of Open Access Journals (Sweden)

    Gui-Quan Sun

    2013-01-01

    Full Text Available An SEI autonomous model with logistic growth rate and its corresponding nonautonomous model are investigated. For the autonomous case, we give the attractive regions of equilibria and perform some numerical simulations. Basic demographic reproduction number Rd is obtained. Moreover, only the basic reproduction number R0 cannot ensure the existence of the positive equilibrium, which needs additional condition Rd>R1. For the nonautonomous case, by introducing the basic reproduction number defined by the spectral radius, we study the uniform persistence and extinction of the disease. The results show that for the periodic system the basic reproduction number is more accurate than the average reproduction number.

  13. Effect of PLISSIT Model on Solution of Sexual Problems

    Directory of Open Access Journals (Sweden)

    Esra Uslu

    2016-03-01

    Full Text Available This systematic review study aims to determine the effect of PLISSIT model (permission, limited information, special suggestions, intensive therapy in the care of individuals having sexual problems. Two of the studies included in the systematic review have been carried out in Iran and one of them in Turkey. These studies were limited to the patients with stoma and women having sexual problems. Results presented that care via PLISSIT model improves the sexual functions and reduces sexual stress, increases the sexual desire, sexual arousal, lubrication, orgasm, sexual satisfaction and frequency of sexual activity. [Psikiyatride Guncel Yaklasimlar - Current Approaches in Psychiatry 2016; 8(1: 52-63

  14. A nonlinear model for surface segregation and solute trapping during planar film growth

    International Nuclear Information System (INIS)

    Han, Xiaoying; Spencer, Brian J.

    2007-01-01

    Surface segregation and solute trapping during planar film growth is one of the important issues in molecular beam epitaxy, yet the study on surface composition has been largely restricted to experimental work. This paper introduces some mathematical models of surface composition during planar film growth. Analytical solutions are obtained for the surface composition during growth

  15. Exact solution of a model for diffusion particles and longitudinal dispersion in packed beds

    International Nuclear Information System (INIS)

    Rasmuson, A.; Neretnieks, I.

    1979-08-01

    An analytical solution of a model for diffusion in particles and longitudinal despersion in porous media is derived. The solution is obtained by the method of Laplace transform. The result is expressed as an infinite integral of five deminsionless quanitities. The extension for a decaying species is given. (authors)

  16. New integrable models and analytical solutions in f (R ) cosmology with an ideal gas

    Science.gov (United States)

    Papagiannopoulos, G.; Basilakos, Spyros; Barrow, John D.; Paliathanasis, Andronikos

    2018-01-01

    In the context of f (R ) gravity with a spatially flat FLRW metric containing an ideal fluid, we use the method of invariant transformations to specify families of models which are integrable. We find three families of f (R ) theories for which new analytical solutions are given and closed-form solutions are provided.

  17. African wildlife and people : finding solutions where equilibrium models fail

    NARCIS (Netherlands)

    Poshiwa, X.

    2013-01-01

    Grazing systems, covering about half of the terrestrial surface, tend to be either equilibrial or non-equilibrial in nature, largely depending on the environmental stochasticity.The equilibrium model perspective stresses the importance of biotic feedbacks between herbivores and their resource,

  18. Water and Aqueous Solutions: Simple Non-Speculative Model Approach

    Czech Academy of Sciences Publication Activity Database

    Nezbeda, Ivo; Jirsák, Jan

    2011-01-01

    Roč. 13, č. 44 (2011), s. 19689-19703 ISSN 1463-9076 R&D Projects: GA AV ČR IAA400720802; GA AV ČR IAA200760905 Institutional research plan: CEZ:AV0Z40720504 Keywords : molecular modeling of water * separation * perturbation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.573, year: 2011

  19. Molecular Thermodynamic Modeling of Fluctuation Solution Theory Properties

    DEFF Research Database (Denmark)

    O’Connell, John P.; Abildskov, Jens

    2013-01-01

    for densities and gas solubilities, including ionic liquids and complex mixtures such as coal liquids. The approach is especially useful in systems with strong nonidealities. This chapter describes successful application of such modeling to a wide variety of systems treated over several decades and suggests how...

  20. Stochastic models of solute transport in highly heterogeneous geologic media

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, V.N.; Korotkin, I.A.; Pruess, K.; Goloviznin, V.M.; Sorokovikova, O.S.

    2009-09-15

    A stochastic model of anomalous diffusion was developed in which transport occurs by random motion of Brownian particles, described by distribution functions of random displacements with heavy (power-law) tails. One variant of an effective algorithm for random function generation with a power-law asymptotic and arbitrary factor of asymmetry is proposed that is based on the Gnedenko-Levy limit theorem and makes it possible to reproduce all known Levy {alpha}-stable fractal processes. A two-dimensional stochastic random walk algorithm has been developed that approximates anomalous diffusion with streamline-dependent and space-dependent parameters. The motivation for introducing such a type of dispersion model is the observed fact that tracers in natural aquifers spread at different super-Fickian rates in different directions. For this and other important cases, stochastic random walk models are the only known way to solve the so-called multiscaling fractional order diffusion equation with space-dependent parameters. Some comparisons of model results and field experiments are presented.

  1. Optimal III-nitride HEMTs: from materials and device design to compact model of the 2DEG charge density

    Science.gov (United States)

    Li, Kexin; Rakheja, Shaloo

    2017-02-01

    In this paper, we develop a physically motivated compact model of the charge-voltage (Q-V) characteristics in various III-nitride high-electron mobility transistors (HEMTs) operating under highly non-equilibrium transport conditions, i.e. high drain-source current. By solving the coupled Schrödinger-Poisson equation and incorporating the two-dimensional electrostatics in the channel, we obtain the charge at the top-of-the-barrier for various applied terminal voltages. The Q-V model accounts for cutting off of the negative momenta states from the drain terminal under high drain-source bias and when the transmission in the channel is quasi-ballistic. We specifically focus on AlGaN and AlInN as barrier materials and InGaN and GaN as the channel material in the heterostructure. The Q-V model is verified and calibrated against numerical results using the commercial TCAD simulator Sentaurus from Synopsys for a 20-nm channel length III-nitride HEMT. With 10 fitting parameters, most of which have a physical origin and can easily be obtained from numerical or experimental calibration, the compact Q-V model allows us to study the limits and opportunities of III-nitride technology. We also identify optimal material and geometrical parameters of the device that maximize the carrier concentration in the HEMT channel in order to achieve superior RF performance. Additionally, the compact charge model can be easily integrated in a hierarchical circuit simulator, such as Keysight ADS and CADENCE, to facilitate circuit design and optimization of various technology parameters.

  2. MODELS AND SOLUTIONS FOR THE IMPLEMENTATION OF DISTRIBUTED SYSTEMS

    Directory of Open Access Journals (Sweden)

    Tarca Naiana

    2011-07-01

    Full Text Available Software applications may have different degrees of complexity depending on the problems they try to solve and can integrate very complex elements that bring together functionality that sometimes are competing or conflicting. We can take for example a mobile communications system. Functionalities of such a system are difficult to understand, and they add to the non-functional requirements such as the use in practice, performance, cost, durability and security. The transition from local computer networks to cover large networks that allow millions of machines around the world at speeds exceeding one gigabit per second allowed universal access to data and design of applications that require simultaneous use of computing power of several interconnected systems. The result of these technologies has enabled the evolution from centralized to distributed systems that connect a large number of computers. To enable the exploitation of the advantages of distributed systems one had developed software and communications tools that have enabled the implementation of distributed processing of complex solutions. The objective of this document is to present all the hardware, software and communication tools, closely related to the possibility of their application in integrated social and economic level as a result of globalization and the evolution of e-society. These objectives and national priorities are based on current needs and realities of Romanian society, while being consistent with the requirements of Romania's European orientation towards the knowledge society, strengthening the information society, the target goal representing the accomplishment of e-Romania, with its strategic e-government component. Achieving this objective repositions Romania and gives an advantage for sustainable growth, positive international image, rapid convergence in Europe, inclusion and strengthening areas of high competence, in line with Europe 2020, launched by the

  3. Water flow and solute transport using environmental isotopes and modeling

    International Nuclear Information System (INIS)

    Hussein, M.F.

    2001-01-01

    The deep unsaturated zone may be a useful hydrological archive in desert environments characterized by scant or sporadic rainfall and slow percolation of rainwater over decades or even centuries. This moisture archive provides a useful way to distinguish the net downward flow of recharge water, whereas the isotopic composition and concentration of the conservative solutes of the preserved moisture could be used to reconstruct the history of recharge under the prevailing deficient water balance. The major advantage of such coupled approach is to obtain independent estimates of groundwater recharge rates which are normally difficult to evaluate using the hydrological methods applied in the temperate zones. The study was conducted in the Shiekh-Zoweid/Raffa area in the northeastern coastal strip of Sinai Peninsula. Bore-holes were dry-drilled in a line perpendicular to the sea shoreline (using an 8-inch diameter hand-operated rotary rig) for the unsaturated sediment collection from successive 0.5m thick layers down to a depth of 20m. Samples were investigated for the moisture contents and the chemical and isotope composition of this moisture was determined. Physical parameters were also assessed including porosity and volumetric moisture content. Chloride mass-balance was used to calculate recharge rates through the unsaturated zone by predicting the position of the 1963-Tritium peak in the unsaturated column. Analysis of moisture, chloride and deuterium profiles showed three principle peaks (along with minor ones) in Karafin site indicating few major recharge events that have taken place during the last few decades. Adjustment of these episodes has also been attempted using two historical major rainfall events (known from nearby meteorological stations). Application of the methodology in water resources management in arid regions is discussed. (author)

  4. Extension of the segment-based Wilson and NRTL models for correlation of excess molar enthalpies of polymer solutions

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat

    2005-01-01

    The polymer Wilson model and the polymer NRTL model have been extended for the representation of the excess enthalpy of multicomponent polymer solutions. Applicability of obtained equations in the correlation of the excess enthalpies of polymer solutions has been examined. It is found that the both models are suitable models in representing the published excess enthalpy data for the tested polymer solutions

  5. Generalizing Source Geometry of Site Contamination by Simulating and Analyzing Analytical Solution of Three-Dimensional Solute Transport Model

    Directory of Open Access Journals (Sweden)

    Xingwei Wang

    2014-01-01

    Full Text Available Due to the uneven distribution of pollutions and blur edge of pollutant area, there will exist uncertainty of source term shape in advective-diffusion equation model of contaminant transport. How to generalize those irregular source terms and deal with those uncertainties is very critical but rarely studied in previous research. In this study, the fate and transport of contaminant from rectangular and elliptic source geometry were simulated based on a three-dimensional analytical solute transport model, and the source geometry generalization guideline was developed by comparing the migration of contaminant. The result indicated that the variation of source area size had no effect on pollution plume migration when the plume migrated as far as five times of source side length. The migration of pollution plume became slower with the increase of aquifer thickness. The contaminant concentration was decreasing with scale factor rising, and the differences among various scale factors became smaller with the distance to field increasing.

  6. Modelling size and structure of nanoparticles formed from drying of submicron solution aerosols

    International Nuclear Information System (INIS)

    Bandyopadhyay, Arpan A.; Pawar, Amol A.; Venkataraman, Chandra; Mehra, Anurag

    2015-01-01

    Drying of submicron solution aerosols, under controlled conditions, has been explored to prepare nanoparticles for drug delivery applications. A computational model of solution drop evaporation is developed to study the evolution of solute gradients inside the drop and predict the size and shell thickness of precipitating nanoparticles. The model considers evaporation as a two-stage process involving droplet shrinkage and shell growth. It was corroborated that droplet evaporation rate controls the solute distribution within a droplet and the resulting particle structure (solid or shell type). At higher gas temperatures, rapid build-up of solute near drop surface from high evaporation rates results in early attainment of critical supersaturation solubility and a steeper solute gradient, which favours formation of larger, shell-type particles. At lower gas temperatures, formation of smaller, solid nanoparticles is indicated. The computed size and shell thickness are in good agreement with experimentally prepared lipid nanoparticles. This study indicates that solid or shell structure of precipitated nanoparticles is strongly affected by evaporation rate, while initial solute concentration in the precursor solution and atomized droplet size affect shell thickness. For the gas temperatures considered, evaporative cooling leads to droplet temperature below the melting point of the lipid solute. Thus, we conclude that control over nanoparticle size and structure, of thermolabile precursor materials suitable for drug delivery, can be achieved by controlling evaporation rates, through selection of aerosol processing conditions

  7. Modelling size and structure of nanoparticles formed from drying of submicron solution aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Bandyopadhyay, Arpan A.; Pawar, Amol A.; Venkataraman, Chandra; Mehra, Anurag, E-mail: mehra@iitb.ac.in [Indian Institute of Technology Bombay, Department of Chemical Engineering (India)

    2015-01-15

    Drying of submicron solution aerosols, under controlled conditions, has been explored to prepare nanoparticles for drug delivery applications. A computational model of solution drop evaporation is developed to study the evolution of solute gradients inside the drop and predict the size and shell thickness of precipitating nanoparticles. The model considers evaporation as a two-stage process involving droplet shrinkage and shell growth. It was corroborated that droplet evaporation rate controls the solute distribution within a droplet and the resulting particle structure (solid or shell type). At higher gas temperatures, rapid build-up of solute near drop surface from high evaporation rates results in early attainment of critical supersaturation solubility and a steeper solute gradient, which favours formation of larger, shell-type particles. At lower gas temperatures, formation of smaller, solid nanoparticles is indicated. The computed size and shell thickness are in good agreement with experimentally prepared lipid nanoparticles. This study indicates that solid or shell structure of precipitated nanoparticles is strongly affected by evaporation rate, while initial solute concentration in the precursor solution and atomized droplet size affect shell thickness. For the gas temperatures considered, evaporative cooling leads to droplet temperature below the melting point of the lipid solute. Thus, we conclude that control over nanoparticle size and structure, of thermolabile precursor materials suitable for drug delivery, can be achieved by controlling evaporation rates, through selection of aerosol processing conditions.

  8. An initial research on solute migration model coupled with adsorption of surface complexation in groundwater

    International Nuclear Information System (INIS)

    Qian Tianwei; Chen Fanrong

    2003-01-01

    The influence of solution chemical action in groundwater on solute migration has attracted increasing public attention, especially adsorption action occurring on surface of solid phase and liquid phase, which has play a great role in solute migration. There are various interpretations on adsorption mechanism, in which surface complexion is one of successful hypothesis. This paper first establishes a geochemical model based on surface complexion and then coupled it with traditional advection-dispersion model to constitute a solute migration model, which can deal with surface complexion action. The simulated results fit very well with those obtained by the precursors, as compared with a published famous example, which indicates that the model set up by this paper is successful. (authors)

  9. An Exact Solution to the Central Core Model of the Renal Medulla

    Science.gov (United States)

    Mickens, Ronald E.

    1998-11-01

    The central core model of the renal medulla provides a mathematical representation of the urine concentration mechanism. The model consists of eight coupled, nonlinear ODE's subject to certain initial and boundary conditions. Many investigators have studied the properties of the solutions to these equations, however no general analytic solution is known to exist. Thus, special exact solutions assume a position of significance by providing a basis for insight into the understanding of more realistic models used to analyze actual data. We calculate an exact solution for the case in which the water permeabilities are zero and a particular, but realistic, functional form is used for the metabolic pump. A detailed discussion will be given for the results obtained on the four cencentration and four flux functions that define the model. If invited to do so, the author is willing to expand the talk for the above abstract to twenty minutes.

  10. Covariant two-particle wave functions for model quasipotentials admitting exact solutions

    International Nuclear Information System (INIS)

    Kapshaj, V.N.; Skachkov, N.B.

    1983-01-01

    Two formulations of quasipotential equations in the relativistic configurational representation are considered for the wave function of the internal motion of the bound system of two relativistic particles. Exact solutions of these equations are found for some model quasipotentials

  11. Covariant two-particle wave functions for model quasipotential allowing exact solutions

    International Nuclear Information System (INIS)

    Kapshaj, V.N.; Skachkov, N.B.

    1982-01-01

    Two formulations of quasipotential equations in the relativistic configurational representation are considered for the wave function of relative motion of a bound state of two relativistic particles. Exact solutions of these equations are found for some model quasipotentials

  12. Solutions stability of one-dimensional parametric superconducting magnetic levitation model analysis by the first approximation

    International Nuclear Information System (INIS)

    Shvets', D.V.

    2009-01-01

    By the first approximation analyzing stability conditions of unperturbed solution of one-dimensional dynamic model with magnetic interaction between two superconducting rings obtained. The stability region in the frozen magnetic flux parameters space was constructed.

  13. Positive Almost Periodic Solutions for a Time-Varying Fishing Model with Delay

    Directory of Open Access Journals (Sweden)

    Xia Li

    2011-01-01

    Full Text Available This paper is concerned with a time-varying fishing model with delay. By means of the continuation theorem of coincidence degree theory, we prove that it has at least one positive almost periodic solution.

  14. Bifurcation structure of positive stationary solutions for a Lotka-Volterra competition model with diffusion I

    Science.gov (United States)

    Kan-On, Yukio

    2007-04-01

    This paper is concerned with the bifurcation structure of positive stationary solutions for a generalized Lotka-Volterra competition model with diffusion. To establish the structure, the bifurcation theory and the interval arithmetic are employed.

  15. Reliable and efficient solution of genome-scale models of Metabolism and macromolecular Expression

    DEFF Research Database (Denmark)

    Ma, Ding; Yang, Laurence; Fleming, Ronan M. T.

    2017-01-01

    orders of magnitude. Data values also have greatly varying magnitudes. Standard double-precision solvers may return inaccurate solutions or report that no solution exists. Exact simplex solvers based on rational arithmetic require a near-optimal warm start to be practical on large problems (current ME......Constraint-Based Reconstruction and Analysis (COBRA) is currently the only methodology that permits integrated modeling of Metabolism and macromolecular Expression (ME) at genome-scale. Linear optimization computes steady-state flux solutions to ME models, but flux values are spread over many...... models have 70,000 constraints and variables and will grow larger). We have developed a quadrupleprecision version of our linear and nonlinear optimizer MINOS, and a solution procedure (DQQ) involving Double and Quad MINOS that achieves reliability and efficiency for ME models and other challenging...

  16. Multiloop soliton and multibreather solutions of the short pulse model equation

    International Nuclear Information System (INIS)

    Matsuno, Yoshimasa

    2007-01-01

    We develop a systematic procedure for constructing the multisoliton solutions of the short pulse (SP) model equation which describes the propagation of ultra-short pulses in nonlinear medica. We first introduce a novel hodograph transformation to convert the SP equation into the sine-Gordon (sG) equation. With the soliton solutions of the sG equation, the system of linear partial differential equations governing the inverse mapping can be integrated analytically to obtain the soliton solutions of the SP equation in the form of the parametric representation. By specifying the soliton parameters, we obtain the multiloop and multibreather solutions. We investigate the asymptotic behavior of both solutions and confirm their solitonic feature. The nonsingular breather solutions may play an important role in studying the propagation of ultra-short pulses in an optical fibre. (author)

  17. Large time behavior of entropy solutions to one-dimensional unipolar hydrodynamic model for semiconductor devices

    Science.gov (United States)

    Huang, Feimin; Li, Tianhong; Yu, Huimin; Yuan, Difan

    2018-06-01

    We are concerned with the global existence and large time behavior of entropy solutions to the one-dimensional unipolar hydrodynamic model for semiconductors in the form of Euler-Poisson equations in a bounded interval. In this paper, we first prove the global existence of entropy solution by vanishing viscosity and compensated compactness framework. In particular, the solutions are uniformly bounded with respect to space and time variables by introducing modified Riemann invariants and the theory of invariant region. Based on the uniform estimates of density, we further show that the entropy solution converges to the corresponding unique stationary solution exponentially in time. No any smallness condition is assumed on the initial data and doping profile. Moreover, the novelty in this paper is about the unform bound with respect to time for the weak solutions of the isentropic Euler-Poisson system.

  18. Modelling of niobium sorption on clay minerals in sodium and calcium perchlorate solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ervanne, Heini; Hakanen, Martti; Lehto, Jukka [Helsinki Univ. (Finland). Laboratory of Radiochemistry

    2014-11-01

    The sorption behaviour of niobium on kaolinite and illite minerals in sodium and calcium perchlorate solutions was evaluated with use of the mass distribution coefficient, Rd, obtained in batch sorption experiments. Very high distribution coefficient values, about 100 m{sup 3}/kg, were obtained for both minerals in the neutral pH range between 6 and 8. Values were somewhat lower at pH 5. In NaClO{sub 4} solution, the sorption of niobium starts to decrease at pH higher than 8. This is in agreement with the increase, with pH, in the proportion of anionic niobate species, which are presumed to be low or non-sorbing. A similar decrease was not observed in Ca(ClO{sub 4}){sub 2} solution, probably owing to the influence of Ca on niobium solution speciation and surface species. The surface complexation model was applied to model the Rd values. The model fitted well for the NaClO{sub 4} solution but only at pH below 9 for the Ca(ClO{sub 4}){sub 2} solution. The discrepancy between the strong sorption of niobium in calcium-bearing solution at high pH and the calculated speciation is due in part to the non-inclusion of calcium niobate solution species and Ca-Nb compounds in the present NEA and other similar thermodynamic databases.

  19. Capacitated Bounded Cardinality Hub Routing Problem: Model and Solution Algorithm

    OpenAIRE

    Gelareha, Shahin; Monemic, Rahimeh Neamatian; Semetd, Frederic

    2017-01-01

    In this paper, we address the Bounded Cardinality Hub Location Routing with Route Capacity wherein each hub acts as a transshipment node for one directed route. The number of hubs lies between a minimum and a maximum and the hub-level network is a complete subgraph. The transshipment operations take place at the hub nodes and flow transfer time from a hub-level transporter to a spoke-level vehicle influences spoke- to-hub allocations. We propose a mathematical model and a branch-and-cut algor...

  20. Tsunami Simulators in Physical Modelling - Concept to Practical Solutions

    Science.gov (United States)

    Chandler, Ian; Allsop, William; Robinson, David; Rossetto, Tiziana; McGovern, David; Todd, David

    2017-04-01

    Whilst many researchers have conducted simple 'tsunami impact' studies, few engineering tools are available to assess the onshore impacts of tsunami, with no agreed methods available to predict loadings on coastal defences, buildings or related infrastructure. Most previous impact studies have relied upon unrealistic waveforms (solitary or dam-break waves and bores) rather than full-duration tsunami waves, or have used simplified models of nearshore and over-land flows. Over the last 10+ years, pneumatic Tsunami Simulators for the hydraulic laboratory have been developed into an exciting and versatile technology, allowing the forces of real-world tsunami to be reproduced and measured in a laboratory environment for the first time. These devices have been used to model generic elevated and N-wave tsunamis up to and over simple shorelines, and at example coastal defences and infrastructure. They have also reproduced full-duration tsunamis including Mercator 2004 and Tohoku 2011, both at 1:50 scale. Engineering scale models of these tsunamis have measured wave run-up on simple slopes, forces on idealised sea defences, pressures / forces on buildings, and scour at idealised buildings. This presentation will describe how these Tsunami Simulators work, demonstrate how they have generated tsunami waves longer than the facilities within which they operate, and will present research results from three generations of Tsunami Simulators. Highlights of direct importance to natural hazard modellers and coastal engineers include measurements of wave run-up levels, forces on single and multiple buildings and comparison with previous theoretical predictions. Multiple buildings have two malign effects. The density of buildings to flow area (blockage ratio) increases water depths and flow velocities in the 'streets'. But the increased building densities themselves also increase the cost of flow per unit area (both personal and monetary). The most recent study with the Tsunami