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Sample records for pseudo first-order kinetics

  1. Chemical Dosing and First-Order Kinetics

    Science.gov (United States)

    Hladky, Paul W.

    2011-01-01

    College students encounter a variety of first-order phenomena in their mathematics and science courses. Introductory chemistry textbooks that discuss first-order processes, usually in conjunction with chemical kinetics or radioactive decay, stop at single, discrete dose events. Although single-dose situations are important, multiple-dose events,…

  2. Kinetics of first order phase transitions

    CERN Document Server

    Slezov, Vitaly V

    2009-01-01

    Filling a gap in the literature, this crucial publication on the renowned Lifshitz-Slezov-Wagner Theory of first-order phase transitions is authored by one of the scientists who gave it its name. Prof Slezov spent decades analyzing this topic and obtained a number of results that form the cornerstone of this rapidly developing branch of science.Following an analysis of unresolved problems together with proposed solutions, the book develops a theoretical description of the overall course of first-order phase transformations, starting from the nucleation state right up to the late stages of coarsening. In so doing, the author illustrates the results by way of numerical computations and experimental applications. The outline of the general results is performed for segregation processes in solutions and the results used in the analysis of a variety of different topics, such as phase formation in multi-component solutions, boiling in one- and multi-component liquids, vacancy cluster evolution in solids with and wi...

  3. Distributions of Autocorrelated First-Order Kinetic Outcomes: Illness Severity.

    Directory of Open Access Journals (Sweden)

    James D Englehardt

    Full Text Available Many complex systems produce outcomes having recurring, power law-like distributions over wide ranges. However, the form necessarily breaks down at extremes, whereas the Weibull distribution has been demonstrated over the full observed range. Here the Weibull distribution is derived as the asymptotic distribution of generalized first-order kinetic processes, with convergence driven by autocorrelation, and entropy maximization subject to finite positive mean, of the incremental compounding rates. Process increments represent multiplicative causes. In particular, illness severities are modeled as such, occurring in proportion to products of, e.g., chronic toxicant fractions passed by organs along a pathway, or rates of interacting oncogenic mutations. The Weibull form is also argued theoretically and by simulation to be robust to the onset of saturation kinetics. The Weibull exponential parameter is shown to indicate the number and widths of the first-order compounding increments, the extent of rate autocorrelation, and the degree to which process increments are distributed exponential. In contrast with the Gaussian result in linear independent systems, the form is driven not by independence and multiplicity of process increments, but by increment autocorrelation and entropy. In some physical systems the form may be attracting, due to multiplicative evolution of outcome magnitudes towards extreme values potentially much larger and smaller than control mechanisms can contain. The Weibull distribution is demonstrated in preference to the lognormal and Pareto I for illness severities versus (a toxicokinetic models, (b biologically-based network models, (c scholastic and psychological test score data for children with prenatal mercury exposure, and (d time-to-tumor data of the ED01 study.

  4. Modelling and experimental checking of the influence of substrate concentration on the first order kinetic constant in photo-processes.

    Science.gov (United States)

    Gómez, M; Murcia, M D; Gómez, E; Ortega, S; Sánchez, A; Thaikovskaya, O; Briantceva, N

    2016-12-01

    Most photoprocesses follow a pseudo first order kinetic law and, commonly, the kinetic parameter depends on the initial concentration of the substrate. In this work, a kinetic model, which explains this dependence on the substrate concentration and on the other operational variables, has been developed. In the model, mass transfer of substrate from the bulk solution to the wall of the photoreactor was assumed as the step determining the rate of the process. To check the model, methylene blue (MB) has been used as model substrate and photodegradation experiments have been carried out in an exciplex KrCl flow-through photoreactor, It was observed that the methylene blue conversion improved with a decrease in its initial concentration, in good agreement with the model. Also, by fitting the experimental data to the model, high correlation coefficients and a high degree of agreement between experimental and calculated conversion was obtained, which validates the model. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Modelling of an EGSB treating sugarcane vinasse using first-order variable kinetics.

    Science.gov (United States)

    López, Iván; Borzacconi, Liliana

    2011-01-01

    An expanded granular sludge bed (EGSB) anaerobic reactor treating sugar cane vinasse was modelled using a simple model with two steps (acidogenesis and methanogenesis), two populations, two substrates and completely mixed conditions. A first-order kinetic equation for both steps with time-variant kinetic coefficients was used. An observer system was used to estimate the evolution of kinetic constants over time. The model was validated by comparing methane flow predictions with experimental values. An estimation of evolution of populations of microorganisms was also performed. This approach allows calculation of specific kinetic constants that reflect biological activity of microorganisms. Variation of specific kinetic constants reflects the influence of the fraction of raw vinasse in the feed. High salt concentrations in the reactor may have inhibited the process.

  6. Automatic blocking of nucleation and the universality of kinetic phenomena in first-order phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Zel`tser, A.S.; Soboleva, T.K.; Filippov, A.E. [Donetsk Physicotechnical Inst. (Ukraine)

    1995-07-01

    The kinetics of a first-order phase transformation are investigated using a unified mathematical approach based on he generalized Ginaburg-Landau model with a nonlocal thermodynamic potential. It is shown that since the formation of nuclei includes processes that prevent their appearance and growth in other regions in space, it should result in autostabilization of an intermediate mixed state. Various mechanisms for the formation of an effective long-range interaction in such systems are analyzed. The universality of the kinetic phenomena in first-order phase transition, which is due to the self-consistent character of the blocking of the phase-separation process and is manifested by the establishment of universal relations between the effective parameters of the system, is point out for the first time. 29 refs., 6 figs.

  7. Surface Runoff Contamination by Soil Chemicals: Simulations for Equilibrium and First-Order Kinetics

    Science.gov (United States)

    Wallach, Rony; Shabtai, Rina

    1992-01-01

    A model was developed to predict the potential contamination of overland flow by chemicals removed from soil water by rainfall on sloping soil. The model accounts for transient water infiltration and convective-dispersive solute transport in the soil and also considers rate-limited mass transfer through a laminar boundary layer at the soil surface/runoff water interface. Sorption-desorption interactions between soil and chemicals are assumed to be subject to linear and nonlinear isotherms or to first-order kinetics. The dissolved-chemical concentrations at the soil surface and in the surface runoff were determined for different antecedent soil moistures and rainfall intensities. These concentrations are lower when the antecedent moisture is low because the time of ponding for drier soil is longer and because during that period soil solutes are displaced by greater volumes of infiltrating water. For a specified initial soil water content, higher rainfall rates cause higher dissolved-chemical concentrations at the soil surface. The degree of nonlinearity of the equilibrium isotherm greatly affects the transient dissolved-chemical concentrations and the linear isotherm cannot always be used as an alternative. These concentrations are also greatly affected by the value of the kinetics rate coefficient. In the first-order kinetics model there is a recovery of the dissolved-chemical concentration at the soil surface during the period between rainstorms. As a result, the initial concentration at the soil surface for the subsequent rainstorm is higher than that expected when equilibrium is assumed.

  8. Application of first order kinetics to characterize MTBE natural attenuation in groundwater

    Science.gov (United States)

    Metcalf, Meredith J.; Stevens, Graham J.; Robbins, Gary A.

    2016-04-01

    Methyl tertiary butyl ether (MTBE) was a gasoline oxygenate that became widely used in reformulated gasoline as a means to reduce air pollution in the 1990s. Unfortunately, many of the underground storage tanks containing reformulated gasoline experienced subsurface releases which soon became a health concern given the increase in public and private water supplies containing MTBE. Many states responded to this by banning the use of MTBE as an additive, including Connecticut. Although MTBE dissipates by natural attenuation, it continues to be prevalent in groundwater long after the Connecticut ban in 2004. This study estimated the rate of the natural attenuation in groundwater following the Connecticut ban by evaluating the MTBE concentration two years prior to and two years after the MTBE ban at eighty-three monitoring wells from twenty-two retail gasoline stations where MTBE contamination was observed. Sites chosen for this study had not undergone active remediation ensuring no artificial influence to the natural attenuation processes that controls the migration and dissipation of MTBE. Results indicate that MTBE has dissipated in the natural environment, at more than 80% of the sites and at approximately 82% of the individual monitoring wells. In general, dissipation approximated first order kinetics. Dissipation half-lives, calculated using concentration data from the two year period after the ban, ranged from approximately three weeks to just over seven years with an average half-life of 7.3 months with little variability in estimates for different site characteristics. The accuracy of first order estimates to predict further MTBE dissipation were tested by comparing predicted concentrations with those observed after the two year post-ban period; the predicted concentrations closely match the observed concentrations which supports the use of first order kinetics for predictions of this nature.

  9. Heat-induced denaturation and aggregation of ovalbumin at neutral pH described by irreversible first-order kinetics.

    Science.gov (United States)

    Weijers, Mireille; Barneveld, Peter A; Cohen Stuart, Martien A; Visschers, Ronald W

    2003-12-01

    The heat-induced denaturation kinetics of two different sources of ovalbumin at pH 7 was studied by chromatography and differential scanning calorimetry. The kinetics was found to be independent of protein concentration and salt concentration, but was strongly dependent on temperature. For highly pure ovalbumin, the decrease in nondenatured native protein showed first-order dependence. The activation energy obtained with different techniques varied between 430 and 490 kJ*mole(-1). First-order behavior was studied in detail using differential scanning calorimetry. The calorimetric traces were irreversible and highly scan rate-dependent. The shape of the thermograms as well as the scan rate dependence can be explained by assuming that the thermal denaturation takes place according to a simplified kinetic process where N is the native state, D is denatured (or another final state) and k a first-order kinetic constant that changes with temperature, according to the Arrhenius equation. A kinetic model for the temperature-induced denaturation and aggregation of ovalbumin is presented. Commercially obtained ovalbumin was found to contain an intermediate-stable fraction (IS) of about 20% that was unable to form aggregates. The denaturation of this fraction did not satisfy first-order kinetics.

  10. Kinetic Analysis of Parallel-Consecutive First-Order Reactions with a Reversible Step: Concentration-Time Integrals Method

    Science.gov (United States)

    Mucientes, A. E.; de la Pena, M. A.

    2009-01-01

    The concentration-time integrals method has been used to solve kinetic equations of parallel-consecutive first-order reactions with a reversible step. This method involves the determination of the area under the curve for the concentration of a given species against time. Computer techniques are used to integrate experimental curves and the method…

  11. A novel method for classifying starch digestion by modelling the amylolysis of plant foods using first-order enzyme kinetic principles.

    Science.gov (United States)

    Edwards, Cathrina H; Warren, Frederick J; Milligan, Peter J; Butterworth, Peter J; Ellis, Peter R

    2014-11-01

    Studying starch amylolysis kinetics in vitro is valuable for predicting the postprandial glycaemic response to starch intake. Prediction of starch amylolysis behaviour is challenging however, because of the many physico-chemical factors which influence amylolysis. The Logarithm of Slope (LOS) method for analysis of digestibility curves using first-order enzyme kinetics can identify and quantify nutritionally important starch fractions. The early stages of in vitro amylolysis of hydrothermally processed chickpea and durum wheat with variable degrees of structural integrity were studied. The end-point product concentration (C∞) and the pseudo first-order digestibility rate constant k, obtained from LOS analysis, were then used to compute predictive digestibility curves for evaluation of the model performance. LOS analysis enabled rapid identification of nutritionally important starch-fractions. It was clear that purified starches and flours were digested by a single-phase process, but starch amylolysis in macroparticles occurred by a two-phase system that reflected differences in substrate accessibility. The model gave an excellent fit to data obtained from a range of heterogeneous materials. It provides a rigorous means of studying the mechanisms of starch amylolysis in samples of varying complexity, and we strongly recommend its use for the rapid and accurate predictions of amylolysis. Such predictions have implications for prevention and management of type 2 diabetes mellitus and obesity.

  12. Using a Datalogger to Determine First-Order Kinetics and Calcium Carbonate in Eggshells

    Science.gov (United States)

    Choi, Martin M. F.; Pui Shan Wong

    2004-01-01

    The applications of a Pasco CI-6532 pressure sensor used in conjunction with a datalogger to monitor the liberation of carbon dioxide in the reaction CaCO3(s) + 2H(super +)(aq) --> Ca(super 2+)(aq) + CO2 (g) + H2O(I) are described. The method serves for the determination of the chemical kinetics of the reaction and also can be extended to…

  13. First-order kinetics of landfill leachate treatment in a pilot-scale anaerobic sequence batch biofilm reactor.

    Science.gov (United States)

    Contrera, Ronan Cleber; da Cruz Silva, Katia Cristina; Morita, Dione Mari; Domingues Rodrigues, José Alberto; Zaiat, Marcelo; Schalch, Valdir

    2014-12-01

    This paper reports the kinetics evaluation of landfill leachate anaerobic treatment in a pilot-scale Anaerobic Sequence Batch Biofilm Reactor (AnSBBR). The experiment was carried out at room temperature (23.8 ± 2.1 °C) in the landfill area in São Carlos-SP, Brazil. Biomass from the bottom of a local landfill leachate stabilization pond was used as inoculum. After acclimated and utilizing leachate directly from the landfill, the AnSBBR presented efficiency over 70%, in terms of COD removal, with influent COD ranging from 4825 mg L(-1) to 12,330 mg L(-1). To evaluate the kinetics of landfill leachate treatment, temporal profiles of CODFilt. concentration were performed and a first-order kinetics model was adjusted for substrate consumption, obtaining an average k1 = 4.40 × 10(-5) L mgTVS(-1) d(-1), corrected to 25 °C. Considering the temperature variations, a temperature-activity coefficient θ = 1.07 was obtained. Statistical "Randomness" and "F" tests were used to successfully validate the model considered. Thus, the results demonstrate that the first-order kinetic model is adequate to model the anaerobic treatment of the landfill leachate in the AnSBBR. Copyright © 2014 Elsevier Ltd. All rights reserved.

  14. Modelling Escherichia coli concentration in a wastewater reservoir using an operational parameter MRT%FE and first order kinetics.

    Science.gov (United States)

    Cirelli, Giuseppe Luigi; Consoli, Simona; Juanicó, Marcelo

    2009-01-01

    The operational parameter MRT%FE, representing the mean residence time of different ages fractions of effluent within a completely mixed reactor, was evaluated and integrated with first order kinetics. The parameter was used to model Escherichia coli concentrations in a municipal wastewater reservoir managed under different operating conditions (continuous and discontinuous). The study was conducted during 2004-2005 in a reservoir receiving effluents from the activated sludge treatment plant of Caltagirone (Eastern Sicily - Italy). The analytical approach is applied to the hydraulic state variables of the system (daily stored volumes, inlet and outlet flows), and the physical-chemical (pH, temperature, EC, TSS, BOD(5), COD) and bacteriological wastewater parameters (E. coli, FC, FS). In order to evaluate the reliability of the proposed approach, predicted E. coli concentrations within the reservoir were compared with measured ones by the correlation coefficient, F-test and Sperman's index. The study included the evaluation of die-off coefficient K(T) (d(-1)), light extinction coefficient K (m(-1)) and their relationships with climatic factors. Results of the study confirm that E. coli removal is related to the fractions of fresh effluent remaining each day within the reservoir with MRT%FE of about 5-8d, significantly lower than the nominal detention time (about 27d). The E. coli die-off coefficient (K(T)) was higher during system discontinuous operations and correlated with incident solar radiation and water temperature.

  15. Nitrogen Removal in a Horizontal Subsurface Flow Constructed Wetland Estimated Using the First-Order Kinetic Model

    Directory of Open Access Journals (Sweden)

    Lijuan Cui

    2016-11-01

    Full Text Available We monitored the water quality and hydrological conditions of a horizontal subsurface constructed wetland (HSSF-CW in Beijing, China, for two years. We simulated the area-based constant and the temperature coefficient with the first-order kinetic model. We examined the relationships between the nitrogen (N removal rate, N load, seasonal variations in the N removal rate, and environmental factors—such as the area-based constant, temperature, and dissolved oxygen (DO. The effluent ammonia (NH4+-N and nitrate (NO3−-N concentrations were significantly lower than the influent concentrations (p < 0.01, n = 38. The NO3−-N load was significantly correlated with the removal rate (R2 = 0.96, p < 0.01, but the NH4+-N load was not correlated with the removal rate (R2 = 0.02, p > 0.01. The area-based constants of NO3−-N and NH4+-N at 20 °C were 27 ± 26 (mean ± SD and 14 ± 10 m∙year−1, respectively. The temperature coefficients for NO3−-N and NH4+-N were estimated at 1.004 and 0.960, respectively. The area-based constants for NO3−-N and NH4+-N were not correlated with temperature (p > 0.01. The NO3−-N area-based constant was correlated with the corresponding load (R2 = 0.96, p < 0.01. The NH4+-N area rate was correlated with DO (R2 = 0.69, p < 0.01, suggesting that the factors that influenced the N removal rate in this wetland met Liebig’s law of the minimum.

  16. Heat-induced denaturation and aggregation of ovalbumin at neutral pH described by irreversible first-order kinetics

    NARCIS (Netherlands)

    Weijers, M.; Barneveld, P.A.; Cohen Stuart, M.A.; Visschers, R.W.

    2003-01-01

    The heat-induced denaturation kinetics of two different sources of ovalbumin at pH 7 was studied by chromatography and differential scanning calorimetry. The kinetics was found to be independent of protein concentration and salt concentration, but was strongly dependent on temperature. For highly

  17. Fast and calibration free determination of first order reaction kinetics in API synthesis using in-situ ATR-FTIR.

    Science.gov (United States)

    Rehbein, Moritz C; Husmann, Sascha; Lechner, Christian; Kunick, Conrad; Scholl, Stephan

    2017-09-28

    In early stages of drug development only sparse amounts of the key substances are available, which is problematic for the determination of important process data like reaction kinetics. Therefore, it is important to perform experiments as economically as possible, especially in regards to limiting compounds. Here we demonstrate the use of a temperature step experiment enabling the determination of complete reaction kinetics in a single non-isothermal experiment. In contrast to the traditionally used HPLC, the method takes advantage of the high measuring rate and the low amount of labor involved in using in-situ ATR-FTIR to determine time-dependent concentration-equivalent data. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Type-I pseudo-first-order phase transition induced electrocaloric effect in lead-free Bi0.5Na0.5TiO3-0.06BaTiO3 ceramics

    Science.gov (United States)

    Li, Feng; Chen, Guorui; Liu, Xing; Zhai, Jiwei; Shen, Bo; Li, Shandong; Li, Peng; Yang, Ke; Zeng, Huarong; Yan, Haixue

    2017-05-01

    In this study, the electrocaloric effect (ECE) of Bi0.5Na0.5TiO3-0.06BaTiO3 (BNT-0.06BT) ceramic has been directly measured using a home-made adiabatic calorimeter. The maximum adiabatic temperature change (ΔT) approaches 0.86 K under an electric field of 5 kV/mm at 110 °C, which provides experimental evidence for optimizing the ECE near the type-I pseudo-first-order phase transition (PFOPT). Most importantly, a considerable ΔT value can be maintained over a wide temperature range well above the temperature of the PFOPT under a high electric field. In addition, ΔT is closely related to the structural transition and electric field strength. This work provides a guideline to investigate the high ECE in BNT-based ferroelectric ceramics for applications in cooling technologies.

  19. Applications of the pseudo-harmonics to the multidimensional kinetics; Aplicacao do metodo dos pseudo-harmonicos a cinetica multidimensional

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Zelmo Rodrigues de; Silva, Fernando Carvalho da; Alvim, Antonio C. Marques [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear]. E-mail: zelmo@con.ufrj.br; fernando@con.ufrj.br; alvim@con.ufrj.br

    2005-07-01

    In this work we propose the application of the pseudo-harmonics in modal methods of spatial kinetics. The pseudo-harmonics, or the pseudo-modes, are the eigenfunctions associated to the leakage+removal operator in each group of energy of the steady-state diffusion equation. This operator is self-adjoint and it is not necessary to calculate the adjoints eigenfunctions. In the present work the pseudo-harmonics will be obtained starting from the equation of diffusion discretized by the coarse-mesh finite difference (CMFD). The modal methods approximate the time-dependent flux for an expansion in functions predetermined, that include the spatial dependence, with unknown expansion coefficients, that include the whole dependent part of the time. The obtaining of the system whose solution they are the coefficients of the modal expansion is done with aid of a function weight. Using the pseudomodes obtained in the steady state calculations, in the modal expansion as been the dependent functions of the space, we will show that the function weight can be chosen as being the own adjoint pseudo-modes. This calculation leads to a linear system of ordinary differential equations with the defined dimension for the number of pseudo-harmonics employed. The solution of the equations is built through the analytical integration of the equations of the precursor of delayed neutron. The proposed method was tested and it present good results, when compared with the direct method. (author)

  20. First-order inflation

    Energy Technology Data Exchange (ETDEWEB)

    Kolb, E.W. (Fermi National Accelerator Lab., Batavia, IL (USA) Chicago Univ., IL (USA). Enrico Fermi Inst.)

    1990-09-01

    In the original proposal, inflation occurred in the process of a strongly first-order phase transition. This model was soon demonstrated to be fatally flawed. Subsequent models for inflation involved phase transitions that were second-order, or perhaps weakly first-order; some even involved no phase transition at all. Recently the possibility of inflation during a strongly first-order phase transition has been revived. In this talk I will discuss some models for first-order inflation, and emphasize unique signatures that result in inflation is realized in a first-order transition. Before discussing first-order inflation, I will briefly review some of the history of inflation to demonstrate how first-order inflation differs from other models. 58 refs., 3 figs.

  1. Monod kinetics rather than a first-order degradation model explains atrazine fate in soil mini-columns: Implications for pesticide fate modelling

    Energy Technology Data Exchange (ETDEWEB)

    Cheyns, K., E-mail: Karlien.Cheyns@ees.kuleuven.b [Division soil and water management, Katholieke Universiteit Leuven, Kasteelpark Arenberg 20, B-3001 Heverlee (Belgium); Mertens, J.; Diels, J.; Smolders, E.; Springael, D. [Division soil and water management, Katholieke Universiteit Leuven, Kasteelpark Arenberg 20, B-3001 Heverlee (Belgium)

    2010-05-15

    Pesticide transport models commonly assume first-order pesticide degradation kinetics for describing reactive transport in soil. This assumption was assessed in mini-column studies with associated batch degradation tests. Soil mini-columns were irrigated with atrazine in two intermittent steps of about 30 days separated by 161 days application of artificial rain water. Atrazine concentration in the effluent peaked to that of the influent concentration after initial break-through but sharply decreased while influx was sustained, suggesting a degradation lag phase. The same pattern was displayed in the second step but peak height and percentage of atrazine recovered in the effluent were lower. A Monod model with biomass decay was successfully calibrated to this data. The model was successfully evaluated against batch degradation data and mini-column experiments at lower flow rate. The study suggested that first-order degradation models may underestimate risk of pesticide leaching if the pesticide degradation potential needs amplification during degradation. - Population dynamics of pesticide degrading population should be taken into account when predictions of pesticide fate are made to avoid underestimation of pesticide break-through towards groundwater.

  2. Monod kinetics rather than a first-order degradation model explains atrazine fate in soil mini-columns: implications for pesticide fate modelling.

    Science.gov (United States)

    Cheyns, K; Mertens, J; Diels, J; Smolders, E; Springael, D

    2010-05-01

    Pesticide transport models commonly assume first-order pesticide degradation kinetics for describing reactive transport in soil. This assumption was assessed in mini-column studies with associated batch degradation tests. Soil mini-columns were irrigated with atrazine in two intermittent steps of about 30 days separated by 161 days application of artificial rain water. Atrazine concentration in the effluent peaked to that of the influent concentration after initial break-through but sharply decreased while influx was sustained, suggesting a degradation lag phase. The same pattern was displayed in the second step but peak height and percentage of atrazine recovered in the effluent were lower. A Monod model with biomass decay was successfully calibrated to this data. The model was successfully evaluated against batch degradation data and mini-column experiments at lower flow rate. The study suggested that first-order degradation models may underestimate risk of pesticide leaching if the pesticide degradation potential needs amplification during degradation. Copyright 2010 Elsevier Ltd. All rights reserved.

  3. Cardiorespiratory Kinetics Determined by Pseudo-Random Binary Sequences - Comparisons between Walking and Cycling.

    Science.gov (United States)

    Koschate, J; Drescher, U; Thieschäfer, L; Heine, O; Baum, K; Hoffmann, U

    2016-12-01

    This study aims to compare cardiorespiratory kinetics as a response to a standardised work rate protocol with pseudo-random binary sequences between cycling and walking in young healthy subjects. Muscular and pulmonary oxygen uptake (V̇O2) kinetics as well as heart rate kinetics were expected to be similar for walking and cycling. Cardiac data and V̇O2 of 23 healthy young subjects were measured in response to pseudo-random binary sequences. Kinetics were assessed applying time series analysis. Higher maxima of cross-correlation functions between work rate and the respective parameter indicate faster kinetics responses. Muscular V̇O2 kinetics were estimated from heart rate and pulmonary V̇O2 using a circulatory model. Muscular (walking vs. cycling [mean±SD in arbitrary units]: 0.40±0.08 vs. 0.41±0.08) and pulmonary V̇O2 kinetics (0.35±0.06 vs. 0.35±0.06) were not different, although the time courses of the cross-correlation functions of pulmonary V̇O2 showed unexpected biphasic responses. Heart rate kinetics (0.50±0.14 vs. 0.40±0.14; P=0.017) was faster for walking. Regarding the biphasic cross-correlation functions of pulmonary V̇O2 during walking, the assessment of muscular V̇O2 kinetics via pseudo-random binary sequences requires a circulatory model to account for cardio-dynamic distortions. Faster heart rate kinetics for walking should be considered by comparing results from cycle and treadmill ergometry. © Georg Thieme Verlag KG Stuttgart · New York.

  4. Using a CBL Unit, a Temperature Sensor, and a Graphing Calculator to Model the Kinetics of Consecutive First-Order Reactions as Safe In-Class Demonstrations

    Science.gov (United States)

    Moore-Russo, Deborah A.; Cortes-Figueroa, Jose E.; Schuman, Michael J.

    2006-01-01

    The use of Calculator-Based Laboratory (CBL) technology, the graphing calculator, and the cooling and heating of water to model the behavior of consecutive first-order reactions is presented, where B is the reactant, I is the intermediate, and P is the product for an in-class demonstration. The activity demonstrates the spontaneous and consecutive…

  5. Adsorption kinetics for the removal of chromium (VI) from aqueous ...

    African Journals Online (AJOL)

    A comparison of kinetic models applied to the adsorption of Cr(VI) ions on the adsorbents was evaluated for the pseudo first-order, the pseudo second-order, Elovich and intraparticle diffusion kinetic models, respectively. Results show that the pseudo second-order kinetic model was found to correlate the experimental data ...

  6. Estimating changes of isotopic fractionation based on chemical kinetics and microbial dynamics during anaerobic methane oxidation: apparent zero- and first-order kinetics at high and low initial methane concentrations.

    Science.gov (United States)

    Vavilin, V A

    2013-02-01

    Changes in natural isotopic composition may be used to reveal metabolic pathways of substrate transformation by microbial communities (Vavilin in Ecol Model 240:84-92, 2012b). Anaerobic oxidation of methane (AOM) by sulfate has been described using a mathematical model based on chemical kinetics, microbial dynamics and equations for (13)C isotope accumulation in products as well as their redistribution between substrate and products. Experimental data for two batch cultures that originated from microbial mats covering methane seep chimneys in the Black Sea, previously obtained by Seifert et al. (Org Geochem 37:1411-1419, 2006) and Holler et al. (Env Microbiol Reports 1(5):370-376, 2009), were used to model AOM. During long-time incubation, changes of isotope signatures in CH(4) showed that in the Seifert et al. batch tests (low methane concentration), in contrast to the Holler et al. batch tests (high methane concentration), methane production occurred along with methane oxidation. In accordance with the model, apparent zero and first-order kinetics of methane oxidation were valid for the Holler et al. and Seifert et al. batch tests, respectively. The observed change of [Formula: see text] was explained by microbial kinetics reflecting that the rate is lower for heavy substrate microbial utilization when compared to light substrate microbial utilization. The model showed that small amounts of methanogenesis will change the carbon isotopic composition of methane because biogenic methane has a distinct isotopic composition and due to the large difference between the maximum specific rates of methane oxidation and production. The estimated biomass doubling time of methane-oxidizers for high and low methane concentration was 408/126 days and 4640/1160 days, respectively, depending on the value of the half-saturation constant K ( S ) (5 and 20 mM).

  7. Analysis of RDX-TAGzT pseudo-propellant combustion with detailed chemical kinetics

    Science.gov (United States)

    Kumbhakarna, Neeraj; Thynell, Stefan T.; Chowdhury, Arindrajit; Lin, Ping

    2011-12-01

    A detailed model of steady-state combustion of a pseudo-propellant containing cyclotrimethylene trinitramine (RDX) and triaminoguanidinium azotetrazolate (TAGzT) is presented. The physicochemical processes occurring within the foam layer, comprised of a liquid and gas bubbles, and a gas-phase region above the burning surface are considered. The chemical kinetics is represented by a global thermal decomposition mechanism within the liquid by considering 18 species and eight chemical reactions. The reactions governing decomposition of TAGzT were deduced from separate confined rapid thermolysis experiments using Fourier transform infrared spectroscopy and time-of-flight mass spectrometry. Within the gas bubbles and gas-phase region, a detailed chemical kinetics mechanism was used by considering up to 93 species and 504 reactions. The pseudo-propellant burn rate was found to be highly sensitive to the global decomposition reactions of TAGzT. The predicted results of burn rate agree well with experimental burn-rate data. The increase in burn rate by inclusion of TAGzT is due in part from exothermic decomposition of the azotetrazolate within the foam layer, and from fast gas-phase reactions between triaminoguanidine decomposition products, such as hydrazine, and oxidiser products from the nitramine decomposition.

  8. Pseudo spectral collocation with Maxwell polynomials for kinetic equations with energy diffusion

    Science.gov (United States)

    Sánchez-Vizuet, Tonatiuh; Cerfon, Antoine J.

    2018-02-01

    We study the approximation and stability properties of a recently popularized discretization strategy for the speed variable in kinetic equations, based on pseudo-spectral collocation on a grid defined by the zeros of a non-standard family of orthogonal polynomials called Maxwell polynomials. Taking a one-dimensional equation describing energy diffusion due to Fokker–Planck collisions with a Maxwell–Boltzmann background distribution as the test bench for the performance of the scheme, we find that Maxwell based discretizations outperform other commonly used schemes in most situations, often by orders of magnitude. This provides a strong motivation for their use in high-dimensional gyrokinetic simulations. However, we also show that Maxwell based schemes are subject to a non-modal time stepping instability in their most straightforward implementation, so that special care must be given to the discrete representation of the linear operators in order to benefit from the advantages provided by Maxwell polynomials.

  9. First-Order Twistor Lifts

    Directory of Open Access Journals (Sweden)

    Simões BrunoAscenso

    2010-01-01

    Full Text Available The use of twistor methods in the study of Jacobi fields has proved quite fruitful, leading to a series of results. L. Lemaire and J. C. Wood proved several properties of Jacobi fields along harmonic maps from the two-sphere to the complex projective plane and to the three- and four-dimensional spheres, by carefully relating the infinitesimal deformations of the harmonic maps to those of the holomorphic data describing them. In order to advance this programme, we prove a series of relations between infinitesimal properties of the map and those of its twistor lift. Namely, we prove that isotropy and harmonicity to first order of the map correspond to holomorphicity to first order of its lift into the twistor space, relatively to the standard almost complex structures and . This is done by obtaining first-order analogues of classical twistorial constructions.

  10. First-Order Twistor Lifts

    Directory of Open Access Journals (Sweden)

    Bruno Ascenso Simões

    2010-01-01

    Full Text Available The use of twistor methods in the study of Jacobi fields has proved quite fruitful, leading to a series of results. L. Lemaire and J. C. Wood proved several properties of Jacobi fields along harmonic maps from the two-sphere to the complex projective plane and to the three- and four-dimensional spheres, by carefully relating the infinitesimal deformations of the harmonic maps to those of the holomorphic data describing them. In order to advance this programme, we prove a series of relations between infinitesimal properties of the map and those of its twistor lift. Namely, we prove that isotropy and harmonicity to first order of the map correspond to holomorphicity to first order of its lift into the twistor space, relatively to the standard almost complex structures J1 and J2. This is done by obtaining first-order analogues of classical twistorial constructions.

  11. First-Order Hybrid Logic

    DEFF Research Database (Denmark)

    Braüner, Torben

    2011-01-01

    Hybrid logic is an extension of modal logic which allows us to refer explicitly to points of the model in the syntax of formulas. It is easy to justify interest in hybrid logic on applied grounds, with the usefulness of the additional expressive power. For example, when reasoning about time one...... often wants to build up a series of assertions about what happens at a particular instant, and standard modal formalisms do not allow this. What is less obvious is that the route hybrid logic takes to overcome this problem often actually improves the behaviour of the underlying modal formalism....... For example, it becomes far simpler to formulate proof-systems for hybrid logic, and completeness results can be proved of a generality that is simply not available in modal logic. That is, hybridization is a systematic way of remedying a number of known deficiencies of modal logic. First-order hybrid logic...

  12. Kinetics and Mechanism of the Oxidation of Coomassie Brilliant Blue ...

    African Journals Online (AJOL)

    , in aqueous solution by hypochlorite as a function of pH was investigated. While the degradation of dye obeyed pseudo-first-order kinetics, the oxidation of the dye occurred through two competitive reactions facilitated by [OCl–] and [HOCl].

  13. First order Galilean superfluid dynamics

    Science.gov (United States)

    Banerjee, Nabamita; Dutta, Suvankar; Jain, Akash

    2017-09-01

    We study dynamics of an (anomalous) Galilean superfluid up to first order in derivative expansion, both in parity-even and parity-odd sectors. We construct a relativistic system—null superfluid, which is a null fluid (introduced in N. Banerjee, S. Dutta, and A. Jain Akash, [Phys. Rev. D 93, 105020 (2016)., 10.1103/PhysRevD.93.105020]) with a spontaneously broken global U(1) symmetry. A null superfluid is in one-to-one correspondence with a Galilean superfluid in one lower dimension; i.e., they have the same symmetries, thermodynamics, constitutive relations and are related to each other by a mere choice of basis. The correspondence is based on null reduction, which is known to reduce the Poincaré symmetry of a theory to Galilean symmetry in one lower dimension. To perform this analysis, we use off-shell formalism of (super)fluid dynamics, adopting it appropriately to null (super)fluids. We also verify these results via c →∞ limit of a parent relativistic system.

  14. Analysis of heart rate and oxygen uptake kinetics studied by two different pseudo-random binary sequence work rate amplitudes.

    Science.gov (United States)

    Drescher, U; Koschate, J; Schiffer, T; Schneider, S; Hoffmann, U

    2017-06-01

    The aim of the study was to compare the kinetics responses of heart rate (HR), pulmonary (V˙O2pulm) and predicted muscular (V˙O2musc) oxygen uptake between two different pseudo-random binary sequence (PRBS) work rate (WR) amplitudes both below anaerobic threshold. Eight healthy individuals performed two PRBS WR protocols implying changes between 30W and 80W and between 30W and 110W. HR and V˙O2pulm were measured beat-to-beat and breath-by-breath, respectively. V˙O2musc was estimated applying the approach of Hoffmann et al. (Eur J Appl Physiol 113: 1745-1754, 2013) considering a circulatory model for venous return and cross-correlation functions (CCF) for the kinetics analysis. HR and V˙O2musc kinetics seem to be independent of WR intensity (p>0.05). V˙O2pulm kinetics show prominent differences in the lag of the CCF maximum (39±9s; 31±4s; pkinetics remain unchanged. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Thermodynamic, kinetic and mechanistic investigations of ...

    Indian Academy of Sciences (India)

    standardized by iodometric titration and gravimetrically by the thiocyanate23 method. 2.3 Kinetic Measurements. Kinetics was followed under pseudo first order con- ditions where [PPZ] > [DPC] at 25 ± 0.1◦C, unless otherwise specified. The reaction was initiated by mix- ing the DPC to PPZ solution, which also contained.

  16. Oscillations of first order difference equations

    Indian Academy of Sciences (India)

    Oscillations of first order difference equations. N PARHI. Department of Mathematics, Berhampur University, Berhampur 760 007, India. MS received 10 June 1999; revised 28 December 1999. Abstract. The oscillatory and asymptotic behaviour of solutions of first order diff- erence equations is studied. Keywords. Oscillation ...

  17. First Order Characterizations of Pseudoconvex Functions

    OpenAIRE

    Ivanov, Vsevolod

    2001-01-01

    First order characterizations of pseudoconvex functions are investigated in terms of generalized directional derivatives. A connection with the invexity is analysed. Well-known first order characterizations of the solution sets of pseudolinear programs are generalized to the case of pseudoconvex programs. The concepts of pseudoconvexity and invexity do not depend on a single definition of the generalized directional derivative.

  18. Kinetics of the Adsorption of Bovine Serum Albumin of White Wine ...

    African Journals Online (AJOL)

    This study investigates the kinetics of adsorption of bovine serum albumin, BSA, in white wine model solutions onto activated carbon, AC, and alumina, AL. Pseudo-first order and pseudo-second order models were applied to determine the rate and mechanism of adsorption of the white wine protein during the haze removal ...

  19. Kinetics of the Adsorption of Bovine Serum Albumin of White Wine ...

    African Journals Online (AJOL)

    NJD

    2008-11-07

    Nov 7, 2008 ... This study investigates the kinetics of adsorption of bovine serum albumin, BSA, in white wine model solutions onto activated carbon, AC, and alumina, AL. Pseudo-first order and pseudo-second order models were applied to determine the rate and mechanism of adsorption of the white wine protein during ...

  20. First-Order Logic According to Harrison

    DEFF Research Database (Denmark)

    Jensen, Alexander Birch; Schlichtkrull, Anders; Villadsen, Jørgen

    2017-01-01

    We present a certified declarative first-order prover with equality based on John Harrison’s Handbook of Practical Logic and Automated Reasoning, Cambridge University Press, 2009. ML code reflection is used such that the entire prover can be executed within Isabelle as a very simple interactive...

  1. Multi-Centered First Order Formalism

    CERN Document Server

    Ferrara, Sergio; Shcherbakov, Andrey; Yeranyan, Armen

    2013-01-01

    We propose a first order formalism for multi-centered black holes with flat tree-dimensional base-space, within the stu model of N=2, D=4 ungauged Maxwell-Einstein supergravity. This provides a unified description of first order flows of this universal sector of all models with a symmetric scalar manifold which can be obtained by dimensional reduction from five dimensions. We develop a D=3 Cartesian formalism which suitably extends the definition of central and matter charges, as well as of black hole effective potential and first order "fake" superpotential, in order to deal with not necessarily axisimmetric solutions, and thus with multi-centered and/or (under-)rotating extremal black holes. We derive general first order flow equations for composite non-BPS and almost BPS classes, and we analyze some of their solutions, retrieving various single-centered (static or under-rotating) and multi-centered known systems. As in the t^3 model, the almost BPS class turns out to split into two general branches, and th...

  2. Multi-centered first order formalism

    Science.gov (United States)

    Ferrara, Sergio; Marrani, Alessio; Shcherbakov, Andrey; Yeranyan, Armen

    2013-05-01

    We propose a first order formalism for multi-centered black holes with flat three-dimensional base-space, within the stu model of N = 2, D = 4 ungauged MaxwellEinstein supergravity. This provides a unified description of first order flows of this universal sector of all models with a symmetric scalar manifold which can be obtained by dimensional reduction from five dimensions. We develop a D = 3 Cartesian formalism which suitably extends the definition of central and matter charges, as well as of black hole effective potential and first order "fake" superpotential, in order to deal with not necessarily axisimmetric solutions, and thus with multi-centered and/or (under-)rotating extremal black holes. We derive general first order flow equations for composite non-BPS and almost BPS classes, and we analyze some of their solutions, retrieving various single-centered (static or under-rotating) and multi-centered known systems. As in the t 3 model, the almost BPS class turns out to split into two general branches, and the well known almost BPS system is shown to be a particular solution of the second branch.

  3. A first-order inquisitive semantics

    NARCIS (Netherlands)

    Ciardelli, I.A.; Aloni, M.; Bastiaanse, H.; de Jager, T.; Schulz, K.

    2010-01-01

    This paper discusses the extension of propositional inquisitive semantics [Ciardelli and Roelofsen, 2009a, Groenendijk and Roelofsen, 2009] to the first order setting. We show that such an extension requires essential changes in some of the core notions of inquisitive semantics, and we propose and

  4. SVD-aided pseudo principal-component analysis: A new method to speed up and improve determination of the optimum kinetic model from time-resolved data

    Energy Technology Data Exchange (ETDEWEB)

    Oang, Key Young; Yang, Cheolhee; Muniyappan, Srinivasan; Kim, Jeongho; Ihee, Hyotcherl

    2017-07-01

    Determination of the optimum kinetic model is an essential prerequisite for characterizing dynamics and mechanism of a reaction. Here, we propose a simple method, termed as singular value decomposition-aided pseudo principal-component analysis (SAPPA), to facilitate determination of the optimum kinetic model from time-resolved data by bypassing any need to examine candidate kinetic models. We demonstrate the wide applicability of SAPPA by examining three different sets of experimental time-resolved data and show that SAPPA can efficiently determine the optimum kinetic model. In addition, the results of SAPPA for both time-resolved X-ray solution scattering (TRXSS) and transient absorption (TA) data of the same protein reveal that global structural changes of protein, which is probed by TRXSS, may occur more slowly than local structural changes around the chromophore, which is probed by TA spectroscopy.

  5. SVD-aided pseudo principal-component analysis: A new method to speed up and improve determination of the optimum kinetic model from time-resolved data

    Directory of Open Access Journals (Sweden)

    Key Young Oang

    2017-07-01

    Full Text Available Determination of the optimum kinetic model is an essential prerequisite for characterizing dynamics and mechanism of a reaction. Here, we propose a simple method, termed as singular value decomposition-aided pseudo principal-component analysis (SAPPA, to facilitate determination of the optimum kinetic model from time-resolved data by bypassing any need to examine candidate kinetic models. We demonstrate the wide applicability of SAPPA by examining three different sets of experimental time-resolved data and show that SAPPA can efficiently determine the optimum kinetic model. In addition, the results of SAPPA for both time-resolved X-ray solution scattering (TRXSS and transient absorption (TA data of the same protein reveal that global structural changes of protein, which is probed by TRXSS, may occur more slowly than local structural changes around the chromophore, which is probed by TA spectroscopy.

  6. First-Order Dynamical Phase Transitions

    Science.gov (United States)

    Canovi, Elena; Werner, Philipp; Eckstein, Martin

    2014-12-01

    Recently, dynamical phase transitions have been identified based on the nonanalytic behavior of the Loschmidt echo in the thermodynamic limit [Heyl et al., Phys. Rev. Lett. 110, 135704 (2013)]. By introducing conditional probability amplitudes, we show how dynamical phase transitions can be further classified, both mathematically, and potentially in experiment. This leads to the definition of first-order dynamical phase transitions. Furthermore, we develop a generalized Keldysh formalism which allows us to use nonequilibrium dynamical mean-field theory to study the Loschmidt echo and dynamical phase transitions in high-dimensional, nonintegrable models. We find dynamical phase transitions of first order in the Falicov-Kimball model and in the Hubbard model.

  7. First-order partial differential equations

    CERN Document Server

    Rhee, Hyun-Ku; Amundson, Neal R

    2001-01-01

    This first volume of a highly regarded two-volume text is fully usable on its own. After going over some of the preliminaries, the authors discuss mathematical models that yield first-order partial differential equations; motivations, classifications, and some methods of solution; linear and semilinear equations; chromatographic equations with finite rate expressions; homogeneous and nonhomogeneous quasilinear equations; formation and propagation of shocks; conservation equations, weak solutions, and shock layers; nonlinear equations; and variational problems. Exercises appear at the end of mo

  8. An improved solution of first order kinetics for biochemical oxygen ...

    African Journals Online (AJOL)

    The results revealed that Microsoft Excel Solver provided an improved description of Biochemical Oxygen Demand removal patterns based on relative error, MSC and AIC. The study concluded that Microsoft Excel Solver, non-linear regression, least squares and Thomas' methods were valuable methods at higher ...

  9. Novel SVPWM based on first order equation

    Directory of Open Access Journals (Sweden)

    Ahmed A. Mansour

    2015-09-01

    Full Text Available PWM plays an important role in generating sinusoidal waveform for variable voltage variable frequency drives (VVVFD's with a minimum harmonic level. PWM techniques have many methods in implementation ranging from a relatively simple method such as modulating sine wave to the advanced Space Vector PWM technique SVPWM. The SVPWM has a dense calculation that requires considerable processor time for execution. The proposed technique requires simple calculations and can be implemented using simple microcontrollers. The calculations of the proposed SVPWM are based on first order equations rather than trigonometric functions requiring either huge lookup tables for fetching or too many instruction cycles for calculation on a digital controller.

  10. Magnetocaloric materials and first order phase transitions

    DEFF Research Database (Denmark)

    Neves Bez, Henrique

    and magnetocaloric regenerative tests. The magnetic, thermal and structural properties obtained from such measurements are then evaluated through different models, i.e. the Curie-Weiss law, the Bean-Rodbell model, the free electron model and the Debye model.The measured magnetocaloric properties of La0.67Ca0.33MnO3...... through modelling. Moreover, inverse susceptibility measurements showed what could be evidences of magnetic polarons being formed in the paramagnetic phase of the material. The origin of the first order transition seems to be due to the magneto-elastic coupling observed through isothermal magnetostriction...... and dilatometric measurements. Although the Bean-Rodbell model has described with a good agreement the entropy change, hysteresis, magnetization and heat capacity, it has failed to describe the isothermal magnetostriction. It is suggested that such failure could be related to different factors that might influence...

  11. Fundamental Studies of Novel Zwitterionic Hybrid Membranes: Kinetic Model and Mechanism Insights into Strontium Removal

    OpenAIRE

    Wen Zhu; Junsheng Liu; Meng Li

    2014-01-01

    A series of zwitterionic hybrid membranes were prepared via the ring opening of 1,3-propanesultone with the amine groups in the chains of TMSPEDA and a subsequent sol-gel process. Their kinetic models for strontium removal were investigated using three two-parameter kinetic equations (i.e., Lagergren pseudo-first order, pseudo-second order, and Elovich models). Adsorption mechanism was evaluated using intraparticle diffusion model, diffusion-chemisorption model, and Boyd equation. It was foun...

  12. Tebuconazole photocatalytic degradation kinetics

    OpenAIRE

    Prestes, Thiago de Hermann; Gibbon, Danielle de Oliveira; Lansarin, Marla Azário; Moro, Celso Camilo

    2010-01-01

    The tebuconazole photocatalytic degradation kinetics was studied in a batch reactor using TiO2 (P25-Degussa) as catalyst and a high pressure mercury lamp. The photolysis, adsorption and irradiation effects in the reaction rate were evaluated. Afterward, the suspension catalyst concentration and initial pH to the maximum reaction rate was determined. It was observed that the reaction rate can be approached by a pseudo-first order, with a maximum kinetics constant at 260 mg L-1catalyst concentr...

  13. Kinetic Approach for the Adsorption of Organophosphorous Pesticides from Aqueous Solution Using “Waste” Jute Fiber Carbon

    OpenAIRE

    Senthilkumaar, S.; Krishna, S. K.; Kalaamanic, P.; Subburamaan, C. V.; N. Ganapathy Subramaniam; Kang, T W

    2010-01-01

    Chemically activated “Waste” Jute Fiber carbon has been effectively used for the removal of five organophosphorous pesticides (malathion, monocrotophos, methylparathion, phosphamidon and dimethoate) from aqueous solutions. The prepared activated jute fiber carbon was characterized by using Elemental analyzer and proximate analysis methods. The adsorption equilibrium was examined at 28 ºC. Three different kinetic models, the pseudo first order, pseudo second order and Elovich kinetic models we...

  14. Kinetics of soybean oil epoxidation with peracetic acid formed in situ in the presence of an ion exchange resin: Pseudo-homogeneous model

    Directory of Open Access Journals (Sweden)

    Janković Milovan

    2017-01-01

    Full Text Available A kinetic model was proposed for the epoxidation of vegetable oils with peracetic acid formed in situ from acetic acid and hydrogen peroxide in the presence of an acidic ion exchange resin as a catalyst. The model is pseudo-homogeneous with respect to the catalyst. Besides the main reactions of peracetic acid and epoxy ring formation, the model takes into account the side reaction of epoxy ring opening with acetic acid. The partitioning of acetic acid and peracetic acid between the aqueous and organic phases and the change in the phases’ volumes during the process were considered. The temperature dependency of the apparent reaction rate coefficients is described by a reparameterized Arrhenius equation. The constants in the proposed model were estimated by fitting the experimental data obtained for the epoxidations of soybean oil conducted under defined reaction conditions. The highest epoxy yield of 87.73% was obtained at 338 K when the mole ratio of oil unsaturation:acetic acid:hydrogen peroxide was 1:0.5:1.35 and when the amount of the catalyst Amberlite IR-120H was 4.04 wt.% of oil. Compared to the other reported pseudo-homogeneous models, the model proposed in this study better correlates the change of double bond and epoxy group contents during the epoxidation process. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III45022

  15. A comparison of zero-order, first-order, and monod biotransformation models

    Science.gov (United States)

    Bekins, B.A.; Warren, E.; Godsy, E.M.

    1998-01-01

    Under some conditions, a first-order kinetic model is a poor representation of biodegradation in contaminated aquifers. Although it is well known that the assumption of first-order kinetics is valid only when substrate concentration, S, is much less than the half-saturation constant, K(s), this assumption is often made without verification of this condition. We present a formal error analysis showing that the relative error in the first-order approximation is S/K(S) and in the zero-order approximation the error is K(s)/S. We then examine the problems that arise when the first-order approximation is used outside the range for which it is valid. A series of numerical simulations comparing results of first- and zero-order rate approximations to Monod kinetics for a real data set illustrates that if concentrations observed in the field are higher than K(s), it may better to model degradation using a zero-order rate expression. Compared with Monod kinetics, extrapolation of a first-order rate to lower concentrations under-predicts the biotransformation potential, while extrapolation to higher concentrations may grossly over-predict the transformation rate. A summary of solubilities and Monod parameters for aerobic benzene, toluene, and xylene (BTX) degradation shows that the a priori assumption of first-order degradation kinetics at sites contaminated with these compounds is not valid. In particular, out of six published values of KS for toluene, only one is greater than 2 mg/L, indicating that when toluene is present in concentrations greater than about a part per million, the assumption of first-order kinetics may be invalid. Finally, we apply an existing analytical solution for steady-state one-dimensional advective transport with Monod degradation kinetics to a field data set.A formal error analysis is presented showing that the relative error in the first-order approximation is S/KS and in the zero-order approximation the error is KS/S where S is the substrate

  16. Pseudo first ordered adsorption of noxious textile dyes by low-temperature synthesized amorphous carbon nanotubes

    Science.gov (United States)

    Banerjee, D.; Bhowmick, P.; Pahari, D.; Santra, S.; Sarkar, S.; Das, B.; Chattopadhyay, K. K.

    2017-03-01

    Amorphous carbon nanotubes (a-CNTs) were synthesized by solid state reaction. The as prepared a-CNTs were characterized by X-ray diffraction, field emission scanning and high resolution transmission electron microscope and Raman spectroscopy. As-synthesized a-CNTs were used for, the first time, for removing different organic dyes from water. The dyes mainly include Rhodamine B and Methyl Orange and systematic batch mode studies of a-CNTs assisted adsorption have been executed in detail. The removing efficiency of a-CNTs has also been investigated for various sorption parameters like contact time, dosage, pH, initial dye concentration, contact time etc. It is seen that a-CNTs can be material of potential for removal of dyes. In case of Rhodamine B, the maximum time for removal was 45 min whereas for Methyl orange rapid removal was plausible in about 30 min even in ambient condition. The experimental data have been well correlated with classical Langmuir-Freundlich and Temkin adsorption models.

  17. Belousov-Zhabotinsky oscillatory reaction. Kinetics of malonic acid decomposition

    Directory of Open Access Journals (Sweden)

    LJILJANA KOLAR-ANIC

    2000-10-01

    Full Text Available The kinetics of the Belousov-Zhabotinsky (BZ oscillatory reaction was analyzed. With this aim, the time evolution of a reaction mixture composed of malonic acid, bromate, sulfuric acid and cerium(III was studied at 298 K. Pseudo-first order kinetics with respect to malonic acid as the species undergoing decomposition with a corresponding rate constant, k = 7.5×10-3 min-1, was found.

  18. Kinetics of nitrate adsorption and reduction by nano-scale zero valent iron (NZVI): Effect of ionic strength and initial pH

    DEFF Research Database (Denmark)

    Kim, Do-Gun; Hwang, Yuhoon; Shin, Hang-Sik

    2016-01-01

    Kinetic models for pollutants reduction by Nano-scale Zero Valent Iron (NZVI) were tested in this study to gain a better understanding and description of the reaction. Adsorption kinetic models and a heterogeneous catalytic reaction kinetic equation were proposed for nitrate removal and for ammonia...... generation, respectively. A widely used pseudo-first-order reaction model was a poor fit for nitrate removal in an iron-limiting condition and for ammonia generation in an excess iron condition. However, in this study, pseudo-first-order and pseudo-second-order adsorption kinetic equations were a good fit...... for nitrate removal; in addition, a Langmuir-Hinshelwood kinetic equation was able to successfully describe ammonia generation, regardless of the NZVI dose, the ionic strength, and the initial pH. These results strongly indicate that nitrate reduction by NZVI is a heterogeneous catalytic reaction...

  19. 1 H NMR-Based Kinetic-Mechanistic Study of the Intramolecular ...

    African Journals Online (AJOL)

    A 1H NMR study of the acid-catalyzed, intramolecular trans-esterification between isomeric 2-exo-3-exo-dihydroxybornane monoacrylate esters has afforded insights into the reaction mechanism and permitted the determination of kinetic and thermodynamic parameters for the pseudo-first-order processes. KEYWORDS ...

  20. Kinetics of Alcohol Dehydrogenase-Catalyzed Oxidation of Ethanol Followed by Visible Spectroscopy

    Science.gov (United States)

    Bendinskas, Kestutis; DiJiacomo, Christopher; Krill, Allison; Vitz, Ed

    2005-01-01

    The effect of substrate concentration on the rate of enzymatic reaction was investigated and typical Michaelis-Mentin kinetics was observed during the first week. The first order reaction at relatively low concentrations of ethanol and the pseudo zero-order reaction at high concentrations of ethanol were emphasized.

  1. An Analogy Using Pennies and Dimes to Explain Chemical Kinetics Concepts

    Science.gov (United States)

    Cortes-Figueroa, Jose E.; Perez, Wanda I.; Lopez, Jose R.; Moore-Russo, Deborah A.

    2011-01-01

    In this article, the authors present an analogy that uses coins and graphical analysis to teach kinetics concepts and resolve pseudo-first-order rate constants related to transition-metal complexes ligand-solvent exchange reactions. They describe an activity that is directed to upper-division undergraduate and graduate students. The activity…

  2. Kinetic Approach for the Adsorption of Organophosphorous Pesticides from Aqueous Solution Using “Waste” Jute Fiber Carbon

    Directory of Open Access Journals (Sweden)

    S. Senthilkumaar

    2010-01-01

    Full Text Available Chemically activated “Waste” Jute Fiber carbon has been effectively used for the removal of five organophosphorous pesticides (malathion, monocrotophos, methylparathion, phosphamidon and dimethoate from aqueous solutions. The prepared activated jute fiber carbon was characterized by using Elemental analyzer and proximate analysis methods. The adsorption equilibrium was examined at 28 ºC. Three different kinetic models, the pseudo first order, pseudo second order and Elovich kinetic models were selected to analyses the adsorption process. To compare the fitness of pseudo first order and pseudo second order, sum of the squares of the errors and correlation coefficient, r2 values were calculated. The Elovich model was used to confirm the chemisorptions.

  3. Fuzzy Reasoning Based on First-Order Modal Logic,

    NARCIS (Netherlands)

    Zhang, Xiaoru; Zhang, Z.; Sui, Y.; Huang, Z.

    2008-01-01

    As an extension of traditional modal logics, this paper proposes a fuzzy first-order modal logic based on believable degree, and gives out a description of the fuzzy first-order modal logic based on constant domain semantics. In order to make the reasoning procedure between the fuzzy assertions

  4. Optimized first-order methods for smooth convex minimization.

    Science.gov (United States)

    Kim, Donghwan; Fessler, Jeffrey A

    2016-09-01

    We introduce new optimized first-order methods for smooth unconstrained convex minimization. Drori and Teboulle [5] recently described a numerical method for computing the N-iteration optimal step coefficients in a class of first-order algorithms that includes gradient methods, heavy-ball methods [15], and Nesterov's fast gradient methods [10,12]. However, the numerical method in [5] is computationally expensive for large N, and the corresponding numerically optimized first-order algorithm in [5] requires impractical memory and computation for large-scale optimization problems. In this paper, we propose optimized first-order algorithms that achieve a convergence bound that is two times smaller than for Nesterov's fast gradient methods; our bound is found analytically and refines the numerical bound in [5]. Furthermore, the proposed optimized first-order methods have efficient forms that are remarkably similar to Nesterov's fast gradient methods.

  5. Oscillation of first order neutral delay differential equations

    Directory of Open Access Journals (Sweden)

    John Graef

    2004-08-01

    Full Text Available In this paper, the authors established some new integral conditions for the oscillation of all solutions of nonlinear first order neutral delay differential equations. Examples are inserted to illustrate the results.

  6. Removal of ibuprofen, naproxen and carbamazepine in aqueous solution onto natural clay: equilibrium, kinetics, and thermodynamic study

    Science.gov (United States)

    Khazri, Hassen; Ghorbel-Abid, Ibtissem; Kalfat, Rafik; Trabelsi-Ayadi, Malika

    2017-10-01

    This study aimed to describe the adsorption of three pharmaceuticals compounds (ibuprofen, naproxen and carbamazepine) onto natural clay on the basis of equilibrium parameters such as a function of time, effect of pH, varying of the concentration and the temperature. Adsorption kinetic data were modeled using the Lagergren's first-order and the pseudo-second-order kinetic equations. The kinetic results of adsorption are described better using the pseudo-second order model. The isotherm results were tested in the Langmuir, Freundlich and Dubinin-Radushkevich models. The thermodynamic parameters obtained indicate that the adsorption of pharmaceuticals on the clay is a spontaneous and endothermic process.

  7. Geometry of Lagrangian first-order classical field theories

    Energy Technology Data Exchange (ETDEWEB)

    Echeverria-Enriquez, A. [Univ. Politecnica de Cataluna, Barcelona (Spain). Departamento de Matematica Aplicada y Telematica; Munoz-Lecanda, M.C. [Univ. Politecnica de Cataluna, Barcelona (Spain). Departamento de Matematica Aplicada y Telematica; Roman-Roy, N. [Univ. Politecnica de Cataluna, Barcelona (Spain). Departamento de Matematica Aplicada y Telematica

    1996-10-01

    We construct a lagrangian geometric formulation for first-order field theories using the canonical structures of first-order jet bundles, which are taken as the phase spaces of the systems in consideration. First of all, we construct all the geometric structures associated with a first-order jet bundle and, using them, we develop the lagrangian formalism, defining the canonical forms associated with a lagrangian density and the density of lagrangian energy, obtaining the Euler-Lagrange equations in two equivalent ways: as the result of a variational problem and developing the jet field formalism (which is a formulation more similar to the case of mechanical systems). A statement and proof of Noether`s theorem is also given, using the latter formalism. Finally, some classical examples are briefly studied. (orig.)

  8. Gravitational waves from cosmological first order phase transitions

    CERN Document Server

    Hindmarsh, Mark; Rummukainen, Kari; Weir, David

    2015-01-01

    First order phase transitions in the early Universe generate gravitational waves, which may be observable in future space-based gravitational wave observatiories, e.g. the European eLISA satellite constellation. The gravitational waves provide an unprecedented direct view of the Universe at the time of their creation. We study the generation of the gravitational waves during a first order phase transition using large-scale simulations of a model consisting of relativistic fluid and an order parameter field. We observe that the dominant source of gravitational waves is the sound generated by the transition, resulting in considerably stronger radiation than earlier calculations have indicated.

  9. Equilibrium, hysteresis and kinetics of cadmium desorption from sodium-feldspar using rhamnolipid biosurfactant.

    Science.gov (United States)

    Aşçi, Yeliz; Açikel, Unsal; Açikel, Yeşim Sağ

    2012-09-01

    In this study, the sorption/desorption equilibruim and the desorption kinetics of Cd by rhamnolipid biosurfactant from Na-feldspar as a soil component were investigated. The linear, Langmuir and Freundlich isotherms adequately fitted the equilibrium sorption data with regression coefficients ranging from 0.9836 - 0.9879. However, both the sorption/desorption equilibria were well characterized by the Freundlich model. The extent of hysteresis was quantified based on the differences obtained from sorption and desorption isotherms regarding the quantity of Cd(II) sorbed, the Freundlich exponent, concentration-dependent metal distribution coefficients, and the irreversibility index based on the metal distribution coefficient. The kinetics of desorption of Cd from Na-feldspar was investigated using 77 mM rhamnolipid and at pH 6.8. The first-order, an empirical first-order desorption model (two-coefficient), Lagergren-pseudo-first-order, pseudo-second-order, Elovich and modified Freundlich models were used to describe the kinetic data to estimate the rate constants. To determine the rate-controlling step, the intra-particle diffusion model was also applied to the desorption process. The desorption kinetics of Cd(II) on Na-feldspar was represented better by the pseudo-second-order, Elovich and modified Freundlich equations with correlation coefficients ranging from 0.9941- 0.9982 than by first-order equations. The rate-controlling stage was suggested to be mainly the surface reaction mechanism.

  10. Equilibrium, kinetics and thermodynamics studies of textile dyes adsorption on modified Tunisian clay

    Directory of Open Access Journals (Sweden)

    naghmouchi nahed

    2016-04-01

    Full Text Available The adsorption capacity of two anionic textile dyes (RR120 and BB150 on DMSO intercalated Tunisian raw clay was investigated with respect to contact time, initial dye concentration, pH and Temperature. The equilibrium data were fitted into Langmuir, Freundlich, Temkin and Dubinin–Radushkevich isotherms. The kinetic parameters were calculated using pseudo-first order, pseudo second-order, intra-particle diffusion and Elovich kinetic models. The thermodynamic parameters (DH°, DS° and DG° of the adsorption process were also evaluated.

  11. Studies on magnetic-field-induced first-order transitions

    Indian Academy of Sciences (India)

    We shall discuss magnetization and transport measurements in materials exhibiting a broad first-order transition. The phase transitions would be caused by varying magnetic field as well as temperature, and we concentrate on ferro- to antiferromagnetic transitions in magnetic materials. We distinguish between metastable ...

  12. Oscillation criteria for first-order forced nonlinear difference equations

    OpenAIRE

    Grace Said R; Agarwal Ravi P.; Smith Tim

    2006-01-01

    Some new criteria for the oscillation of first-order forced nonlinear difference equations of the form Δx(n)+q1(n)xμ(n+1) = q2(n)xλ(n+1)+e(n), where λ, μ are the ratios of positive odd integers 0 <μ < 1 and λ > 1, are established.

  13. Code Generation for a Simple First-Order Prover

    DEFF Research Database (Denmark)

    Villadsen, Jørgen; Schlichtkrull, Anders; Halkjær From, Andreas

    2016-01-01

    We present Standard ML code generation in Isabelle/HOL of a sound and complete prover for first-order logic, taking formalizations by Tom Ridge and others as the starting point. We also define a set of so-called unfolding rules and show how to use these as a simple prover, with the aim of using...

  14. Improved Parameter Estimation for First-Order Markov Process

    Directory of Open Access Journals (Sweden)

    Deepak Batra

    2009-01-01

    Full Text Available This correspondence presents a linear transformation, which is used to estimate correlation coefficient of first-order Markov process. It outperforms zero-forcing (ZF, minimum mean-squared error (MMSE, and whitened least-squares (WTLSs estimators by controlling output noise variance at the cost of increased computational complexity.

  15. First order magneto-structural transition in functional magnetic ...

    Indian Academy of Sciences (India)

    First order magneto-structural transition plays an important role in the functionality of various magnetic materials of current interest like manganese oxide systems showing colossal magnetoresistance, Gd5(Ge, Si)4 alloys showing giant magnetocaloric effects and magnetic shape memory alloys. The key features of this ...

  16. Multidimensional First-order Dominance Comparisons of Population Wellbeing

    DEFF Research Database (Denmark)

    Siersbæk, Nikolaj; Østerdal, Lars Peter; Arndt, Channing

    2017-01-01

    This chapter conveys the concept of first-order dominance (FOD) with particular focus on applications to multidimensional population welfare comparisons. It gives an account of the fundamental equivalent definitions of FOD both in the one-dimensional and multidimensional setting, illustrated with...

  17. Formalization of the Resolution Calculus for First-Order Logic

    DEFF Research Database (Denmark)

    Schlichtkrull, Anders

    2016-01-01

    A formalization in Isabelle/HOL of the resolution calculus for first-order logic is presented. Its soundness and completeness are formally proven using the substitution lemma, semantic trees, Herbrand’s theorem, and the lifting lemma. In contrast to previous formalizations of resolution...

  18. The Resolution Calculus for First-Order Logic

    DEFF Research Database (Denmark)

    Schlichtkrull, Anders

    2016-01-01

    This theory is a formalization of the resolution calculus for first-order logic. It is proven sound and complete. The soundness proof uses the substitution lemma, which shows a correspondence between substitutions and updates to an environment. The completeness proof uses semantic trees, i.e. trees...

  19. Formalization of the Resolution Calculus for First-Order Logic

    DEFF Research Database (Denmark)

    Schlichtkrull, Anders

    2018-01-01

    I present a formalization in Isabelle/HOL of the resolution calculus for first-order logic with formal soundness and completeness proofs. To prove the calculus sound, I use the substitution lemma, and to prove it complete, I use Herbrand interpretations and semantic trees. The correspondence...

  20. Pairs, sets and sequences in first order theories

    NARCIS (Netherlands)

    Visser, A.

    In this paper we study the idea of theories with containers, like sets, pairs, sequences. We provide a modest framework to study such theories. We prove two concrete results. First, we show that first order theories of finite signature that have functional non-surjective ordered pairing

  1. First order normalization in the perturbed restricted three–body ...

    African Journals Online (AJOL)

    This paper performs the first order normalization that will be employed in the study of the nonlinear stability of triangular points of the perturbed restricted three – body problem with variable mass. The problem is perturbed in the sense that small perturbations are given in the coriolis and centrifugal forces. It is with variable ...

  2. Studies on magnetic-field-induced first-order transitions

    Indian Academy of Sciences (India)

    disorder and by pinning giving rise to a variation of the local field across the sample. It was realized that broad first-order transitions would not show jump discontinu- ities in physical properties, and Clausius–Clapeyron relation cannot be invoked for identifying the order of the transition [1]. Supercooling and superheating ...

  3. First-order transitions for some generalized XY models

    NARCIS (Netherlands)

    Enter, Aernout C.D. van; Romano, Silvano; Zagrebnov, Valentin A.

    2006-01-01

    In this letter we demonstrate the occurrence of first-order transitions in temperature for some recently introduced generalized XY models, and also point out the connection between them and annealed site-diluted (lattice-gas) continuous-spin models.

  4. Kinetics of the reduction of Rasaniline hydrochloride with sulphite ...

    African Journals Online (AJOL)

    The kinetics of the reduction of rosaniline hydrochloride (RH) in perchloric acid has been investigated under pseudo-first order condition of an excess [SO32-] at ionic strength of 1.0 mol dm-3 (CH3COONa), T = 30 0.1 oC and λmax = 540nm. The stoichiometry of the reaction was observed to be 1:1in terms of mole ratio of ...

  5. Fundamental Studies of Novel Zwitterionic Hybrid Membranes: Kinetic Model and Mechanism Insights into Strontium Removal

    National Research Council Canada - National Science Library

    Zhu, Wen; Liu, Junsheng; Li, Meng

    2014-01-01

    ...., Lagergren pseudo-first order, pseudo-second order, and Elovich models). Adsorption mechanism was evaluated using intraparticle diffusion model, diffusion-chemisorption model, and Boyd equation...

  6. A First-Order One-Pass CPS Transformation

    DEFF Research Database (Denmark)

    Danvy, Olivier; Nielsen, Lasse Reichstein

    2001-01-01

    We present a new transformation of λ-terms into continuation-passing style (CPS). This transformation operates in one pass and is both compositional and first-order. Previous CPS transformations only enjoyed two out of the three properties of being first-order, one-pass, and compositional......, but the new transformation enjoys all three properties. It is proved correct directly by structural induction over source terms instead of indirectly with a colon translation, as in Plotkin's original proof. Similarly, it makes it possible to reason about CPS-transformed terms by structural induction over...... source terms, directly.The new CPS transformation connects separately published approaches to the CPS transformation. It has already been used to state a new and simpler correctness proof of a direct-style transformation, and to develop a new and simpler CPS transformation of control-flow information....

  7. A First-Order One-Pass CPS Transformation

    DEFF Research Database (Denmark)

    Danvy, Olivier; Nielsen, Lasse Reichstein

    2002-01-01

    We present a new transformation of call-by-value lambdaterms into continuation-passing style (CPS). This transformation operates in one pass and is both compositional and first-order. Because it operates in one pass, it directly yields compact CPS programs that are comparable to what one would...... write by hand. Because it is compositional, it allows proofs by structural induction. Because it is first-order, reasoning about it does not require the use of a logical relation. This new CPS transformation connects two separate lines of research. It has already been used to state a new and simpler...... correctness proof of a direct-style transformation, and to develop a new and simpler CPS transformation of control-flow information....

  8. A First-Order One-Pass CPS Transformation

    DEFF Research Database (Denmark)

    Danvy, Olivier; Nielsen, Lasse Reichstein

    2003-01-01

    We present a new transformation of λ-terms into continuation-passing style (CPS). This transformation operates in one pass and is both compositional and first-order. Previous CPS transformations only enjoyed two out of the three properties of being first-order, one-pass, and compositional......, but the new transformation enjoys all three properties. It is proved correct directly by structural induction over source terms instead of indirectly with a colon translation, as in Plotkin's original proof. Similarly, it makes it possible to reason about CPS-transformed terms by structural induction over...... source terms, directly.The new CPS transformation connects separately published approaches to the CPS transformation. It has already been used to state a new and simpler correctness proof of a direct-style transformation, and to develop a new and simpler CPS transformation of control-flow information....

  9. Black holes and first order flows in supergravity

    CERN Document Server

    Andrianopoli, L; Trigiante, M; Ferrara, S

    2011-01-01

    We review the description of static, spherically symmetric, asymptotically- flat black holes in four dimensional supergravity in terms of an autonomous Hamiltonian system. A special role in this analysis is played by the so called fake superpotenti alW, which is identified with a particular solution to the Hamilton-Jacobi equation. This function defines a first order, gradient-flow, description of the radial flow of the scalar fields, coupled to the solution, and of the red-shift factor. Identifying W with the Liapunovs function, we can make the general statement that critical points of W are asymptotically stable equilibrium points of the corresponding first order dynamical system (in the sense of Liapunov). Such equilibrium points way only exist f or extremal regular solutions and define their near horizon behavior. Thus the fake superpotential provides an alternative characterization of the attractor phenomenon. We focus on extremal black holes and deduce very general properties of the fake superp otential...

  10. Edge-orientation processing in first-order tactile neurons.

    Science.gov (United States)

    Pruszynski, J Andrew; Johansson, Roland S

    2014-10-01

    A fundamental feature of first-order neurons in the tactile system is that their distal axon branches in the skin and forms many transduction sites, yielding complex receptive fields with many highly sensitive zones. We found that this arrangement constitutes a peripheral neural mechanism that allows individual neurons to signal geometric features of touched objects. Specifically, we observed that two types of first-order tactile neurons that densely innervate the glabrous skin of the human fingertips signaled edge orientation via both the intensity and the temporal structure of their responses. Moreover, we found that the spatial layout of a neuron's highly sensitive zones predicted its sensitivity to particular edge orientations. We submit that peripheral neurons in the touch-processing pathway, as with peripheral neurons in the visual-processing pathway, perform feature extraction computations that are typically attributed to neurons in the cerebral cortex.

  11. First-order error budgeting for LUVOIR mission

    Science.gov (United States)

    Lightsey, Paul A.; Knight, J. Scott; Feinberg, Lee D.; Bolcar, Matthew R.; Shaklan, Stuart B.

    2017-09-01

    Future large astronomical telescopes in space will have architectures that will have complex and demanding requirements to meet the science goals. The Large UV/Optical/IR Surveyor (LUVOIR) mission concept being assessed by the NASA/Goddard Space Flight Center is expected to be 9 to 15 meters in diameter, have a segmented primary mirror and be diffraction limited at a wavelength of 500 nanometers. The optical stability is expected to be in the picometer range for minutes to hours. Architecture studies to support the NASA Science and Technology Definition teams (STDTs) are underway to evaluate systems performance improvements to meet the science goals. To help define the technology needs and assess performance, a first order error budget has been developed. Like the JWST error budget, the error budget includes the active, adaptive and passive elements in spatial and temporal domains. JWST performance is scaled using first order approximations where appropriate and includes technical advances in telescope control.

  12. First-Order Open-Universe POMDPs: Formulation and Algorithms

    Science.gov (United States)

    2013-12-25

    1994. Knowledge preconditions for plans. J. Log. Comput. 4(5):721–766. Davis, E. 2005. Knowledge and communication: A first- order theory. Artif ... Intelligence 101(1-2):99–134. Levesque, H. J., and Lakemeyer, G. 2000. The logic of knowledge bases. MIT Press. Little, R. J. A., and Rubin, D. B. 2002...Dynamical Systems. Massachusetts, MA: The MIT Press. Russell, S. J., and Norvig, P. 1995. Artificial Intelligence - A Modern Approach: The Intelligent

  13. First-order three-point BVPs at resonance (II

    Directory of Open Access Journals (Sweden)

    Mesliza Mohamed

    2011-08-01

    Full Text Available This paper deals with existence of solutions to three-point BVPs in perturbed systems of first-order ordinary differential equations at resonance. An existence theorem is established by using the Theorem of Borsuk and some examples are given to illustrate it. A result for computing the local degree of polynomials whose terms of highest order have no common real linear factors is also presented.

  14. A Comparison of First-order Algorithms for Machine Learning

    OpenAIRE

    Wei, Yu; Thomas, Pock

    2014-01-01

    Using an optimization algorithm to solve a machine learning problem is one of mainstreams in the field of science. In this work, we demonstrate a comprehensive comparison of some state-of-the-art first-order optimization algorithms for convex optimization problems in machine learning. We concentrate on several smooth and non-smooth machine learning problems with a loss function plus a regularizer. The overall experimental results show the superiority of primal-dual algorithms in solving a mac...

  15. BRST renormalization of the first order Yang-Mills theory

    Science.gov (United States)

    Frenkel, J.; Taylor, John C.

    2017-12-01

    We examine the renormalization of the first order formulation of the Yang-Mills theory, by using the BRST identities. These preserve the gauge invariance of the theory and enable a recursive proof of renormalizability to higher orders in perturbation theory. The renormalization involves non-linear mixings as well as re-scalings of the fields and sources, which lead to a renormalized action at all orders.

  16. Multidimensional first-order dominance comparisons of population wellbeing

    DEFF Research Database (Denmark)

    Arndt, Thomas Channing; Siersbæk, Nikolaj; Østerdal, Lars Peter Raahave

    In this paper, we convey the concept of first-order dominance (FOD) with particular focus on applications to multidimensional population welfare comparisons. We give an account of the fundamental equivalent definitions of FOD, illustrated with simple numerical examples. An implementable method...... for detecting dominances is explained along with a bootstrapping procedure that yields additional information relative to what can be obtained from dominance comparisons alone. We discuss strengths and weaknesses of FOD, compared to other multidimensional population comparison concepts, and describe practical...

  17. Numerical integrators for Stiff and Stiff oscillatory First Order initial ...

    African Journals Online (AJOL)

    In this paper, efforts are geared towards the numerical solution of the first order initial value problem (I.V.P) of the form Y\\' = F(X,Y), X∈[ a, b] , Y(a) = Y0, where Y\\' is the total derivative of Y with respect to X.. The scheme so developed for the stated equation is in the same line of thought as Fatunla (1980). It is of order 6, ...

  18. Multilevel first-order system least squares for PDEs

    Energy Technology Data Exchange (ETDEWEB)

    McCormick, S.

    1994-12-31

    The purpose of this talk is to analyze the least-squares finite element method for second-order convection-diffusion equations written as a first-order system. In general, standard Galerkin finite element methods applied to non-self-adjoint elliptic equations with significant convection terms exhibit a variety of deficiencies, including oscillations or nonmonotonicity of the solution and poor approximation of its derivatives, A variety of stabilization techniques, such as up-winding, Petrov-Galerkin, and stream-line diffusion approximations, have been introduced to eliminate these and other drawbacks of standard Galerkin methods. Yet, although significant progress has been made, convection-diffusion problems remain among the more difficult problems to solve numerically. The first-order system least-squares approach promises to overcome these deficiencies. This talk develops ellipticity estimates and discretization error bounds for elliptic equations (with lower order terms) that are reformulated as a least-squares problem for an equivalent first-order system. The main results are the proofs of ellipticity and optimal convergence of multiplicative and additive solvers of the discrete systems.

  19. Adsorption kinetic and desorption studies of Cd2+ on Multi-Carboxylic-Functionalized Silica Gel

    Science.gov (United States)

    Li, Min; Wei, Jian; Meng, Xiaojing; Wu, Zhuqiang; Liang, Xiuke

    2018-01-01

    In the present study, the adsorption behavior of cadmium (II) ion from aqueous solution onto multi-carboxylic-functionalized silica gel (SG-MCF) has been investigated in detail by means of batch and column experiments. Batch experiments were performed to evaluate the effects of contact time on adsorption capacity of cadmium (II) ion. The kinetic data were analyzed on the basis of the pseudo-first-order kinetic and the pseudo-second-order kinetic models and consequently, the pseudo-second-order kinetic can better describe the adsorption process than the pseudo-first-order kinetic model. And the adsorption mechanism of the process was studied by intra-particle and film diffusion, it was found out that the adsorption rate was governed primarily by film diffusion to the adsorption onto the SG-MCF. In addition, column experiments were conducted to assess the effects initial inlet concentration and the flow rate on breakthrough time and adsorption capacity ascertaining the practical applicability of the adsorbent. The results suggest that the total amount of adsorbed cadmium (II) ion increased with declined flow rate and increased the inlet concentration. The adsorption-desorption experiment confirmed that adsorption capacity of cadmium (II) ion didn’t present an obvious decrease after five cycles.

  20. Adsorption kinetic and desorption studies of Cu2+ on Multi-Carboxylic-Functionalized Silica Gel

    Science.gov (United States)

    Li, Min; Meng, Xiaojing; Liu, Yushuang; Hu, Xinju; Liang, Xiuke

    2018-01-01

    In the present study, the adsorption behavior of copper (II) ion from aqueous solution onto multi-carboxylic-functionalized silica gel (SG-MCF) has been investigated in detail by means of batch and column experiments. Batch experiments were performed to evaluate the effects of contact time on adsorption capacity of copper (II) ion. The kinetic data were analyzed on the basis of the pseudo-first-order kinetic and the pseudo-second-order kinetic models and consequently, the pseudo-second-order kinetic can better describe the adsorption process than the pseudo-first-order kinetic model. And the adsorption mechanism of the process was studied by intra-particle and film diffusion, it was found out that the adsorption rate was governed primarily by film diffusion to the adsorption onto the SG-MCF. In addition, column experiments were conducted to assess the effects initial inlet concentration and the flow rate on breakthrough time and adsorption capacity ascertaining the practical applicability of the adsorbent. The results suggest that the total amount of adsorbed copper (II) ion increased with declined flow rate and increased the inlet concentration. The adsorption-desorption experiment confirmed that adsorption capacity of copper (II) ion didn’t present an obvious decrease after five cycles.

  1. Kinetics and Isotherm of Sunset Yellow Dye Adsorption on Cadmium Sulfide Nanoparticle Loaded on Activated Carbon

    Directory of Open Access Journals (Sweden)

    N. Mosallanejad, A. Arami

    2012-03-01

    Full Text Available The objective of this study was to assess the potential of cadmium sulfide nanoparticles loaded onto activated carbon (CdSN-AC for the removal of sunset yellow (SY dye from aqueous solution. Adsorption studies were conducted in a batch mode varying solution pH, contact time, initial dye concentration, CdSN-AC dose. In order to investigate the efficiency of SY adsorption on CdSN-AC, pseudo-first-order, pseudo-second-order kinetic models were studied. It was observed that the pseudo-second-order kinetic model fits better than other kinetic models with good correlation coefficient. Equilibrium data were fitted to the Langmuir model. It was found that the sorption of SY onto CdSN-AC is followed by these results. 

  2. Sorption Kinetics for the Removal of Cadmium and Zinc onto Palm Kernel Shell Based Activated Carbon

    Directory of Open Access Journals (Sweden)

    Muhammad Muhammad

    2010-12-01

    Full Text Available The kinetics and mechanism of cadmium and zinc adsorption on palm kernel shell based activated carbons (PKSAC have been studied. A series of batch laboratory studies were conducted in order to investigate the suitability of palm kernel shell based activated carbon (PKSAC for the removal of cadmium (cadmium ions and zinc (zinc ions from their aqueous solutions. All batch experiments were carried out at pH 7.0 and a constant temperature of 30+-1°C using an incubator shaker that operated at 150 rpm. The kinetics investigated includes the pseudo first order, the pseudo-second order and the intraparticle diffusion models. The pseudo-second order model correlate excellently the experimental data, suggesting that chemisorption processes could be the rate-limiting step. Keywords: adsorption, cadmium, kinetics, palm kernel shell, zinc

  3. Adsorption equilibrium and kinetics of dibenzothiophene from n-octane on bamboo charcoal

    Science.gov (United States)

    Zhao, Dishun; Zhang, Juan; Duan, Erhong; Wang, Jinlong

    2008-03-01

    The adsorption of the model sulfur compound dibenzothiophene (DBT) from n-octane solution on to bamboo charcoal (BC) was investigated. The equilibrium and kinetics of DBT adsorption on BC were examined. Adsorption isotherm of DBT on BC was determined and correlated with two well-known isotherm equations (Langmuir and Freundlich). The equilibrium data for DBT adsorption fitted the Freundlich model well. Two simplified kinetic models including pseudo first-order and pseudo second-order equations were selected to follow the adsorption processes. The adsorption of DBT on BC can be best described by a pseudo second-order equation. The parameters of this best-fit kinetic model were calculated and discussed.

  4. Kinetics adsorption study of the ethidium bromide by graphene oxide as adsorbent from aqueous matrices

    Science.gov (United States)

    Rajabi, M.; Moradi, O.; Zare, K.

    2017-01-01

    In this study of ethidium bromide, adsorption from aqueous matrices by graphene oxide as adsorbent was investigated. Influencing parameters in the adsorption study included contact time, temperature, and pH. The optimum time was selected 17 min, and the best value of pH was determined at 8. All adsorption experiments were performed at 298 K temperature. The maximum wavelength of ethidium bromide was 475 nm. The Elovich, four types of the pseudo-second-order, the pseudo-first-order, and intra-particle diffusion kinetic adsorption models were used for kinetic study, and the results show that adsorption of ethidium bromide on graphene oxide surface best complied with type (I) of the pseudo-second-order kinetic model.

  5. Adsorption of methyl orange from aqueous solution onto PMMA nanofiber: Kinetics study

    Science.gov (United States)

    Zulfikar, Muhammad Ali; Bahri, Afdal; Setiyanto, Henry; Nasir, Muhammad

    2017-07-01

    The potential of polymethyl methacrylate (PMMA) nanofiber prepared by the electrospinning technique for the methyl orange (MO) adsorption from aqueous solution was investigated. In this study, the adsorption experiments were carried out to investigate the effect of temperatures in a batch system. From experiment it can be seen that the MO adsorption using PMMA nanofiber increased with increasing temperature. The kinetic data of MO were analyzed by pseudo-first-order and pseudo-second-order kinetic models. It was found that the amount of MO adsorbed increase with increasing temperature. Kinetics parameters data indicated that the MO adsorption onto PMMA nanofiber was found to follow both pseudo first and second-order rate equations.

  6. Tibia Fracture Healing Prediction Using First-Order Mathematical Model

    OpenAIRE

    M Sridevi; Prakasam, P.; Kumaravel, S.; Madhava Sarma, P.

    2015-01-01

    The prediction of healing period of a tibia fracture in humans across limb using first-order mathematical model is demonstrated. At present, fracture healing is diagnosed using X-rays. Recent studies have demonstrated electric stimulation as a diagnostic tool in fracture healing. A DC electric voltage of 0.7 V was applied across the fracture and stabilized with Teflon coated carbon rings and the data was recorded at different time intervals until the fracture heals. The experimental data fitt...

  7. First-order chemistry in the surface-flux layer

    DEFF Research Database (Denmark)

    Kristensen, L.; Andersen, C.E.; Ejsing Jørgensen, Hans

    1997-01-01

    We have discussed the behavior of a non-conserved scalar in the stationary, horizontally homogeneous, neutral surface-flux layer and, on the basis of conventional second-order closure, derived analytic expressions for flux and for mean concentration of a gas, subjected to a first-order removal pr...... on the validity of our predictions. The agreement seemed such that a falsification of our model was impossible. It is shown how the model can be used to predict the surface flux of Rn-220 from measured concentration profiles....

  8. Temporal aggregation in first order cointegrated vector autoregressive

    DEFF Research Database (Denmark)

    la Cour, Lisbeth Funding; Milhøj, Anders

    2006-01-01

    We study aggregation - or sample frequencies - of time series, e.g. aggregation from weekly to monthly or quarterly time series. Aggregation usually gives shorter time series but spurious phenomena, in e.g. daily observations, can on the other hand be avoided. An important issue is the effect of ...... of aggregation on the adjustment coefficient in cointegrated systems. We study only first order vector autoregressive processes for n dimensional time series Xt, and we illustrate the theory by a two dimensional and a four dimensional model for prices of various grades of gasoline....

  9. Temporal aggregation in first order cointegrated vector autoregressive models

    DEFF Research Database (Denmark)

    La Cour, Lisbeth Funding; Milhøj, Anders

    We study aggregation - or sample frequencies - of time series, e.g. aggregation from weekly to monthly or quarterly time series. Aggregation usually gives shorter time series but spurious phenomena, in e.g. daily observations, can on the other hand be avoided. An important issue is the effect of ...... of aggregation on the adjustment coefficient in cointegrated systems. We study only first order vector autoregressive processes for n dimensional time series Xt, and we illustrate the theory by a two dimensional and a four dimensional model for prices of various grades of gasoline...

  10. Simulation of the first order phase transitions in binary alloys with variable mobility

    Science.gov (United States)

    L'vov, P. E.; Svetukhin, V. V.

    2017-10-01

    The first order phase transitions in binary alloys were simulated basing on the Cahn-Hilliard equation for metastable states with mobility depending on the local composition. The simulation was carried out utilizing the semi-implicit Fourier spectral method for 3D fragment of a solid solution satisfying the regular solution approximation. We defined kinetics of the main characteristics of phase distribution: nucleation rate, average size, concentration of precipitates and autocorrelation function etc. Peculiarities of different stages of binary alloy decomposition (nucleation, diffusion growth and coarsening) were analyzed both for constant and variable mobility.

  11. Fast Edge-Aware Processing via First Order Proximal Approximation.

    Science.gov (United States)

    Badri, Hicham; Yahia, Hussein; Aboutajdine, Driss

    2015-06-01

    We present a new framework for fast edge-aware processing of images and videos. The proposed smoothing method is based on an optimization formulation with a non-convex sparse regularization for a better smoothing behavior near strong edges. We develop mathematical tools based on first order approximation of proximal operators to accelerate the proposed method while maintaining high-quality smoothing. The first order approximation is used to estimate a solution of the proximal form in a half-quadratic solver, and also to derive a warm-start solution that can be calculated quickly when the image is loaded by the user. We extend the method to large-scale processing by estimating the smoothing operation with independent 1D convolution operations. This approach linearly scales to the size of the image and can fully take advantage of parallel processing. The method supports full color filtering and turns out to be temporally coherent for fast video processing. We demonstrate the performance of the proposed method on various applications including image smoothing, detail manipulation, HDR tone-mapping, fast edge simplification and video edge-aware processing.

  12. First-order discrete Faddeev gravity at strongly varying fields

    Science.gov (United States)

    Khatsymovsky, V. M.

    2017-11-01

    We consider the Faddeev formulation of general relativity (GR), which can be characterized by a kind of d-dimensional tetrad (typically d = 10) and a non-Riemannian connection. This theory is invariant w.r.t. the global, but not local, rotations in the d-dimensional space. There can be configurations with a smooth or flat metric, but with the tetrad that changes abruptly at small distances, a kind of “antiferromagnetic” structure. Previously, we discussed a first-order representation for the Faddeev gravity, which uses the orthogonal connection in the d-dimensional space as an independent variable. Using the discrete form of this formulation, we considered the spectrum of (elementary) area. This spectrum turns out to be physically reasonable just on a classical background with large connection like rotations by π, that is, with such an “antiferromagnetic” structure. In the discrete first-order Faddeev gravity, we consider such a structure with periodic cells and large connection and strongly changing tetrad field inside the cell. We show that this system in the continuum limit reduces to a generalization of the Faddeev system. The action is a sum of related actions of the Faddeev type and is still reduced to the GR action.

  13. Axiomatization of Special Relativity in First Order Logic

    Science.gov (United States)

    Luo, Yi-Chen; Chen, Lei; He, Wan-Ting; Ma, Yong-Ge; Zhang, Xin-Yu

    2016-07-01

    The axiomatization of physical theories is a fundamental issue of science. The first-order axiomatic system SpecRel for special relativity proposed recently by Andréka et al. is not enough to explain all the main results in the theory, including the twin paradox and energy-mass relation. In this paper, from a four-dimensional space-time perspective, we introduce the concepts of world-line, proper time and four-momentum to our axiomatic system SpecRel+. Then we introduce an axiom of mass (AxMass) and take four-momentum conservation as an axiom (AxCFM) in SpecRel+. It turns out that the twin paradox and energy-mass relation can be derived from SpecRel+ logically. Hence, as an extension of SpecRel, SpecRel+ is a suitable first-order axiomatic system to describe the kinematics and dynamics of special relativity. Supported by the National Science Foundation of China under Grant Nos. 11235003 and 11475023, National Social Sciences Foundation of China under Grant No. 14BZX078 and the Research Fund for the Doctoral Program of Higher Education of China, and the Undergraduate Training Program of Beijing

  14. Nonlinear regression analysis of kinetics of the photocatalytic decolorization of an azo dye in aqueous TiO2 slurry.

    Science.gov (United States)

    Behnajady, Mohammad A; Modirshahla, Nasser

    2006-11-01

    The kinetics of decolorization of an anionic monoazo dye of acid class named C.I. Acid Red 27 (AR27) was investigated in the UV/TiO2 process with nonlinear regression analysis. The experimental results indicated that the kinetics of decolorization of AR27 in this process fit well by pseudo-first order kinetics. With nonlinear regression analysis a model was developed for pseudo-first order rate constant (k(ap,UV/TiO2)) as a function of operational parameters such as TiO2 dosage, initial concentration of AR27, concentration of O2 and UV-light intensity (I0) as following: k(ap,UV/TiO2) = 0.0025 [TiO2](0.65) [AR27]0(-0.96) [O2](0.16)I0. This rate expression can be used for predicting k(ap,UV/TiO2) at different conditions.

  15. Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

    Science.gov (United States)

    Oboh, I.; Aluyor, E.; Audu, T.

    2015-03-01

    The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R2), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.

  16. Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

    Energy Technology Data Exchange (ETDEWEB)

    Oboh, I., E-mail: innocentoboh@uniuyo.edu.ng [Department of Chemical and Petroleum Engineering, University of Uyo, Uyo (Nigeria); Aluyor, E.; Audu, T. [Department of Chemical Engineering, University of Uyo, BeninCity, BeninCity (Nigeria)

    2015-03-30

    The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R{sup 2}), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.

  17. Supercooling across first-order phase transitions in vortex matter

    Indian Academy of Sciences (India)

    ... larger when is lowered at constant compared to the case when is lowered at constant . We discuss the effect of isothermal field variations on metastable supercooled states produced by field-cooling. This path dependence is not a priori applicable to metastability caused by reduced diffusivity or hindered kinetics.

  18. On first-order formalism in string theory

    Energy Technology Data Exchange (ETDEWEB)

    Losev, Andrei S. [Institute of Theoretical and Experimental Physics, B. Cheremushkinskaya 25, Moscow 117259 (Russian Federation)]. E-mail: losev@itep.ru; Marshakov, Andrei [Department of Theoretical Physics, Lebedev Physics Institute, Leninsky pr. 53, Moscow 119991 (Russian Federation) and Institute of Theoretical and Experimental Physics, B. Cheremushkinskaya 25, Moscow 117259 (Russian Federation)]. E-mail: mars@lpi.ru; Zeitlin, Anton M. [St. Petersburg Department of Steklov Mathematical Institute, Fontanka 27, St. Petersburg 191023 (Russian Federation)]. E-mail: zam@math.ipme.ru

    2006-02-09

    We consider the first-order formalism in string theory, providing a new off-shell description of the non-trivial backgrounds around an 'infinite metric'. The OPE of the vertex operators, corresponding to the background fields in some 'twistor representation', and conditions of conformal invariance results in the quadratic equation for the background fields, which appears to be equivalent to the Einstein equations with a Kalb-Ramond B-field and a dilaton. Using a new representation for the Einstein equations with B-field and dilaton we find a new class of solutions including the plane waves for metric (graviton) and the B-field. We discuss the properties of these background equations and main features of the BRST operator in this approach.

  19. Basic first-order model theory in Mizar

    Directory of Open Access Journals (Sweden)

    Marco Bright Caminati

    2010-01-01

    Full Text Available The author has submitted to Mizar Mathematical Library a series of five articles introducing a framework for the formalization of classical first-order model theory.In them, Goedel's completeness and Lowenheim-Skolem theorems have also been formalized for the countable case, to offer a first application of it and to showcase its utility.This is an overview and commentary on some key aspects of this setup.It features exposition and discussion of a new encoding of basic definitions and theoretical gears needed for the task, remarks about the design strategies and approaches adopted in their implementation, and more general reflections about proof checking induced by the work done.

  20. First Order Reliability Application and Verification Methods for Semistatic Structures

    Science.gov (United States)

    Verderaime, Vincent

    1994-01-01

    Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored by conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments, its stress audits are shown to be arbitrary and incomplete, and it compromises high strength materials performance. A reliability method is proposed which combines first order reliability principles with deterministic design variables and conventional test technique to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety index expression. The application is reduced to solving for a factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and with the pace of semistatic structural designs.

  1. Testing First-Order Logic Axioms in AutoCert

    Science.gov (United States)

    Ahn, Ki Yung; Denney, Ewen

    2009-01-01

    AutoCert [2] is a formal verification tool for machine generated code in safety critical domains, such as aerospace control code generated from MathWorks Real-Time Workshop. AutoCert uses Automated Theorem Provers (ATPs) [5] based on First-Order Logic (FOL) to formally verify safety and functional correctness properties of the code. These ATPs try to build proofs based on user provided domain-specific axioms, which can be arbitrary First-Order Formulas (FOFs). These axioms are the most crucial part of the trusted base, since proofs can be submitted to a proof checker removing the need to trust the prover and AutoCert itself plays the part of checking the code generator. However, formulating axioms correctly (i.e. precisely as the user had really intended) is non-trivial in practice. The challenge of axiomatization arise from several dimensions. First, the domain knowledge has its own complexity. AutoCert has been used to verify mathematical requirements on navigation software that carries out various geometric coordinate transformations involving matrices and quaternions. Axiomatic theories for such constructs are complex enough that mistakes are not uncommon. Second, adjusting axioms for ATPs can add even more complexity. The axioms frequently need to be modified in order to have them in a form suitable for use with ATPs. Such modifications tend to obscure the axioms further. Thirdly, speculating validity of the axioms from the output of existing ATPs is very hard since theorem provers typically do not give any examples or counterexamples.

  2. Kinetics and isotherm studies of Cd(II) adsorption from aqueous solution utilizing seeds of bottlebrush plant ( Callistemon chisholmii)

    Science.gov (United States)

    Rao, Rifaqat Ali Khan; Kashifuddin, Mohammad

    2014-12-01

    Seeds of bottlebrush, a novel plant material, were found to exhibit excellent adsorption capacity over a wide range of Cd(II) concentration. It was characterized by Fourier transform infrared spectroscopy and Scanning Electron Microscopy to support the adsorption of Cd(II) ions. Effect of various parameters like pH, contact time, initial concentration and different electrolytes was investigated using batch process to optimize conditions for maximum adsorption. The adsorbent data were analyzed using Langmuir, Freundlich, Temkin and Dubinin-Redushkeuich isotherm equations at 30°, 40° and 50 °C. Thermodynamic parameters such as standard enthalpy change (Δ H°), free energy change (Δ G°) and entropy change (Δ S°) were also evaluated and the results indicated that adsorption of Cd(II) are spontaneous and endothermic. Various kinetics models including the Pseudo-first-order kinetics, Pseudo-second-order kinetics and Intraparticle diffusion models have been applied to the experimental data to predict the adsorption kinetics. Kinetic study was carried out by varying initial concentration of Cd(II) at constant temperature and it was found that pseudo-second-order rate equation was better obeyed than pseudo-first-order equation supporting that chemisorption process was involved.

  3. Kinetic Study of Free Radicals Scavenging by Saffron Petal Extracts

    Directory of Open Access Journals (Sweden)

    T. Ardalan

    2013-01-01

    Full Text Available Saffron petal is the main by-product of saffron processing which is produced in large amounts, annually. The objectives of this study were to study the antioxidant activity and free radical-scavenging effects of saffron petal extracts. The ability of saffron petal to act as an antioxidant using the 2, 2-diphenyl-1-picrylhydrazyl (DPPH free-radical method was investigated by applying the Uv–Vis spectrometry. The Uv–Vis spectra of reaction mixtures in acetonitrile revealed that saffron petal has a considerable effect on scavenging free radical. Kinetic studies were conducted by measuring the disappearance of DPPH in acetonitrile over the wavelength range of 515-522 nm under pseudo-first-order conditions at 37oC. Furthermore, the pseudo first order rate constants were determined

  4. A kinetic study of the enhancement of solution chemiluminescence of glyoxylic acid oxidation by manganese species.

    Science.gov (United States)

    Otamonga, Jean-Paul; Abdel-Mageed, Amal; Agater, Irena B; Jewsbury, Roger A

    2015-08-01

    In order to study the mechanism of the enhancement of solution chemiluminescence, the kinetics of the decay of the oxidant and the chemiluminescence emission were followed for oxidations by permanganate, manganese dioxide sol and Mn(3+) (aq) of glyoxylic acid, using stopped-flow spectrophotometry. Results are reported for the glyoxylic acid oxidized under pseudo first-order conditions and in an acidic medium at 25 °C. For permanganate under these conditions, the decay is sigmoidal, consistent with autocatalysis, and for manganese dioxide sol and Mn(3+) it is pseudo first order. The effects of the presence of aqueous formaldehyde and Mn(2+) were observed and a fit to a simple mechanism is discussed. It is concluded that chemiluminescent enhancement in these systems is best explained by reaction kinetics. Copyright © 2014 John Wiley & Sons, Ltd.

  5. Superior effect of Ni-substitution on the hydrogenation kinetics of Mg{sub 6}Pd{sub 1−x}TM{sub x} (TM = Ag, Cu, Ni) pseudo-binary compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ponthieu, M. [MIRE-Group, Laboratorio de Física de Materiales de Interés Energético, Dpto Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, 28049 Madrid (Spain); ICMPE/CNRS-UPEC, UMR 7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Fernández, J.F., E-mail: josefrancisco.fernandez@uam.es [MIRE-Group, Laboratorio de Física de Materiales de Interés Energético, Dpto Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Cuevas, F. [ICMPE/CNRS-UPEC, UMR 7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Laversenne, L. [Institut Néel, CNRS, Grenoble (France); Bodega, J.; Ares, J.R.; Sánchez, C. [MIRE-Group, Laboratorio de Física de Materiales de Interés Energético, Dpto Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, 28049 Madrid (Spain)

    2015-10-05

    Highlights: • Kinetics of (de)hydrogenation of Mg{sub 6}(Pd,TM) TM = Ag, Cu and Ni compared. • Faster hydrogenation kinetics for the Ni compound. • Faster H-desorption for the Ni compound due to MgH{sub 2}/Mg{sub 2}NiH{sub 4} synergy. - Abstract: In this investigation, the H-sorption kinetics of Mg{sub 6}Pd and Mg{sub 6}Pd{sub 1−x}TM{sub x} (TM = Ag, Cu, Ni) pseudo-binary compounds at the TM solubility limit have been studied by isothermal hydrogen absorption, thermal desorption spectroscopy and in situ neutron diffraction. Among all studied compounds, the fastest absorption kinetics takes place for the Ni-substituted one. The fit of the absorption curves to established model equations for solid–gas reaction shows that hydrogenation is controlled by diffusion. As for desorption, the peak temperature for the Ni-substituted compound is 90 K below that of MgH{sub 2}/Mg system and is characterised by a low activation energy of 68 kJ/molH{sub 2}. To better understand these results, neutron diffraction experiments during in situ thermal desorption of deuterated Mg{sub 6}Pd and Mg{sub 6}Pd{sub 0.25}Ni{sub 0.75} compounds were carried out. These experiments demonstrate a synergetic effect between MgH{sub 2} and Mg{sub 2}NiH{sub 4} hydrides as responsible for the remarkable kinetics of the Ni-containing compound.

  6. Insights into antiferroelectrics from first-order reversal curves

    Science.gov (United States)

    Hoffmann, Michael; Schenk, Tony; Pešić, Milan; Schroeder, Uwe; Mikolajick, Thomas

    2017-10-01

    Antiferroelectric (AFE) HfO2 and ZrO2 based thin films are promising for energy and low power computing related applications. Here, we investigate 10 nm thin AFE Si:HfO2 films by means of first-order reversal curves (FORCs). Polarization-voltage, capacitance-voltage, and X-ray diffraction measurements confirm typical AFE behavior originating from the tetragonal phase. FORC analysis reveals two oppositely biased switching density peaks with a narrow distribution of coercive fields around 0.23 MV/cm, which is at least 4 times lower than that in typical ferroelectric HfO2 and ZrO2 films. The distributions along the internal bias field axis are much broader compared to the distribution of coercive fields. The exceptional stability of the switching density magnitude and coercive fields for up to 108 electric field cycles is demonstrated. Only small reductions of the internal bias fields are observed with cycling. These results highlight pathways towards improved cycling stability and variability of ferroelectric HfO2 and ZrO2 based devices as well as AFE supercapacitors with enhanced efficiency and energy storage density.

  7. Beyond first-order finite element schemes in micromagnetics

    Energy Technology Data Exchange (ETDEWEB)

    Kritsikis, E., E-mail: kritsikis@math.univ-paris13.fr [Laboratoire d' analyse, géométrie et applications, université Paris 13, CNRS UMR 7539, 93430 Villetaneuse (France); Vaysset, A.; Buda-Prejbeanu, L.D. [SPINTEC, INAC, UMR CEA/CNRS/UJF-Grenoble 1/Grenoble-INP, F-38054 Grenoble (France); Alouges, F. [CMAP, CNRS and École polytechnique, F-91128 Palaiseau (France); Toussaint, J.-C. [Institut Néel, CNRS and université Joseph Fourier, F-38042 Grenoble (France)

    2014-01-01

    Magnetization dynamics in ferromagnetic materials is ruled by the Landau–Lifshitz–Gilbert equation (LLG). Reliable schemes must conserve the magnetization norm, which is a nonconvex constraint, and be energy-decreasing unless there is pumping. Some of the authors previously devised a convergent finite element scheme that, by choice of an appropriate test space – the tangent plane to the magnetization – reduces to a linear problem at each time step. The scheme was however first-order in time. We claim it is not an intrinsic limitation, and the same approach can lead to efficient micromagnetic simulation. We show how the scheme order can be increased, and the nonlocal (magnetostatic) interactions be tackled in logarithmic time, by the fast multipole method or the non-uniform fast Fourier transform. Our implementation is called feeLLGood. A test-case of the National Institute of Standards and Technology is presented, then another one relevant to spin-transfer effects (the spin-torque oscillator)

  8. Beyond first-order finite element schemes in micromagnetics

    Science.gov (United States)

    Kritsikis, E.; Vaysset, A.; Buda-Prejbeanu, L. D.; Alouges, F.; Toussaint, J.-C.

    2014-01-01

    Magnetization dynamics in ferromagnetic materials is ruled by the Landau-Lifshitz-Gilbert equation (LLG). Reliable schemes must conserve the magnetization norm, which is a nonconvex constraint, and be energy-decreasing unless there is pumping. Some of the authors previously devised a convergent finite element scheme that, by choice of an appropriate test space - the tangent plane to the magnetization - reduces to a linear problem at each time step. The scheme was however first-order in time. We claim it is not an intrinsic limitation, and the same approach can lead to efficient micromagnetic simulation. We show how the scheme order can be increased, and the nonlocal (magnetostatic) interactions be tackled in logarithmic time, by the fast multipole method or the non-uniform fast Fourier transform. Our implementation is called feeLLGood. A test-case of the National Institute of Standards and Technology is presented, then another one relevant to spin-transfer effects (the spin-torque oscillator).

  9. A first-order approach to conformal gravity

    CERN Document Server

    Zlosnik, T G

    2016-01-01

    We investigate whether a spontaneously-broken gauge theory of the group $SU(2,2)$ may be a genuine competitor to General Relativity. The basic ingredients of the theory are an $SU(2,2)$ gauge field $A_{\\mu}$ and a Higgs field $W$ in the adjoint representation of the group with the Higgs field producing the symmetry breaking $SU(2,2)\\rightarrow SO(1,3)\\times SO(1,1)$. The action for gravity is polynomial in $\\{A_{\\mu},W\\}$ and the field equations are first-order in derivatives of these fields. The new $SO(1,1)$ symmetry in the gravitational sector is interpreted in terms of an emergent scale symmetry and the recovery of conformalized General Relativity and fourth-order Weyl conformal gravity as limits of the theory- following imposition of Lagrangian constraints- is demonstrated. Maximally symmetric spacetime solutions to the full theory are found and stability of the theory around these solutions is investigated; it is shown that regions of the theory's parameter space describe perturbations identical to that...

  10. First order reversal curves diagrams for describing ferroelectric switching characteristics

    Directory of Open Access Journals (Sweden)

    Liliana Mitoseriu

    2009-06-01

    Full Text Available First Order Reversal Curves (FORC are polarization-field dependences described between saturation field Esat and a variable reversal field Er∈(-Esat, Esat. The FORC diagrams were proposed to describe some characteristics of the switching process in ferroelectrics. The approach is related to the Preisach model which considers the distribution of the elementary switchable units over their coercive and bias fields. The influence of the anisotropic porosity in Pb(Zr,TiO3 bulk ceramics on the FORC distributions demonstrated the existence of a positive/negative bias as a result of the confinement induced by anisotropy. The reducing of grain size in Ba(Zr,TiO3 ceramics causes an increase of the ratio of the reversible/irreversible components of the polarization on the FORC distribution indicating the tendency of system towards the superparaelectric state. The FORC method demonstrates to provide a kind of ‘fingerprinting’ of various types of switching characteristics in ferroic systems.

  11. A pseudo-matched filter for chaos

    OpenAIRE

    Cohen, Seth D.; Gauthier, Daniel J.

    2012-01-01

    A matched filter maximizes the signal-to-noise ratio of a signal. In the recent work of Corron et al. [Chaos 20, 023123 (2010)], a matched filter is derived for the chaotic waveforms produced by a piecewise-linear system. Motivated by these results, we describe a pseudo-matched filter, which removes noise from the same chaotic signal. It consists of a notch filter followed by a first-order, low-pass filter. We compare quantitatively the matched filter's performance to that of our pseudo-match...

  12. Double sampling control chart for a first order autoregressive process

    Directory of Open Access Journals (Sweden)

    Fernando A. E. Claro

    2008-12-01

    Full Text Available In this paper we propose the Double Sampling control chart for monitoring processes in which the observations follow a first order autoregressive model. We consider sampling intervals that are sufficiently long to meet the rational subgroup concept. The Double Sampling chart is substantially more efficient than the Shewhart chart and the Variable Sample Size chart. To study the properties of these charts we derived closed-form expressions for the average run length (ARL taking into account the within-subgroup correlation. Numerical results show that this correlation has a significant impact on the chart properties.Neste artigo propomos o gráfico de controle de amostragem dupla para monitoramento de processos nos quais as observações seguem um modelo autoregressivo de primeira ordem. Nós consideramos intervalos de amostragem suficientemente longos em linha com o conceito de subgrupos racionais. O gráfico de controle de amostragem dupla é substancialmente mais eficiente que o Gráfico de Shewhart e do que o Gráfico com Amostra de Tamanho Variável. Para estudar as propriedades destes gráficos nós derivamos expressões de forma-fechada para o Numero Médio de Amostras até o Sinal (NMA levando em conta a correlação dentro do subgrupo. Os resultados numéricos mostram que esta correlação tem impacto significante sobre as propriedades do gráfico.

  13. Faster modified protocol for first order reversal curve measurements

    Science.gov (United States)

    De Biasi, Emilio

    2017-10-01

    In this work we present a faster modified protocol for first order reversal curve (FORC) measurements. The main idea of this procedure is to use the information of the ascending and descending branches constructed through successive sweeps of magnetic field. The new method reduces the number of field sweeps to almost one half as compared to the traditional method. The length of each branch is reduced faster than in the usual FORC protocol. The new method implies not only a new measurement protocol but also a new recipe for the previous treatment of the data. After of these pre-processing, the FORC diagram can be obtained by the conventional methods. In the present work we show that the new FORC procedure leads to results identical to the conventional method if the system under study follows the Stoner-Wohlfarth model with interactions that do not depend of the magnetic state (up or down) of the entities, as in the Preisach model. More specifically, if the coercive and interactions fields are not correlated, and the hysteresis loops have a square shape. Some numerical examples show the comparison between the usual FORC procedure and the propose one. We also discuss that it is possible to find some differences in the case of real systems, due to the magnetic interactions. There is no reason to prefer one FORC method over the other from the point of view of the information to be obtained. On the contrary, the use of both methods could open doors for a more accurate and deep analysis.

  14. Fundamental studies of novel zwitterionic hybrid membranes: kinetic model and mechanism insights into strontium removal.

    Science.gov (United States)

    Zhu, Wen; Liu, Junsheng; Li, Meng

    2014-01-01

    A series of zwitterionic hybrid membranes were prepared via the ring opening of 1,3-propanesultone with the amine groups in the chains of TMSPEDA and a subsequent sol-gel process. Their kinetic models for strontium removal were investigated using three two-parameter kinetic equations (i.e., Lagergren pseudo-first order, pseudo-second order, and Elovich models). Adsorption mechanism was evaluated using intraparticle diffusion model, diffusion-chemisorption model, and Boyd equation. It was found that the adsorption of strontium ions on these zwitterionic hybrid membranes fitted well with the Lagergren pseudo-second order model. Mechanism insights suggested that diffusion-chemisorption was one of the main adsorption mechanisms. Boyd equation exhibited that film-diffusion mechanism might be the control process during the starting period. These findings are very useful in strontium removal from the stimulated radioactive wastewater.

  15. Fundamental Studies of Novel Zwitterionic Hybrid Membranes: Kinetic Model and Mechanism Insights into Strontium Removal

    Directory of Open Access Journals (Sweden)

    Wen Zhu

    2014-01-01

    Full Text Available A series of zwitterionic hybrid membranes were prepared via the ring opening of 1,3-propanesultone with the amine groups in the chains of TMSPEDA and a subsequent sol-gel process. Their kinetic models for strontium removal were investigated using three two-parameter kinetic equations (i.e., Lagergren pseudo-first order, pseudo-second order, and Elovich models. Adsorption mechanism was evaluated using intraparticle diffusion model, diffusion-chemisorption model, and Boyd equation. It was found that the adsorption of strontium ions on these zwitterionic hybrid membranes fitted well with the Lagergren pseudo-second order model. Mechanism insights suggested that diffusion-chemisorption was one of the main adsorption mechanisms. Boyd equation exhibited that film-diffusion mechanism might be the control process during the starting period. These findings are very useful in strontium removal from the stimulated radioactive wastewater.

  16. Fundamental Studies of Novel Zwitterionic Hybrid Membranes: Kinetic Model and Mechanism Insights into Strontium Removal

    Science.gov (United States)

    Zhu, Wen; Li, Meng

    2014-01-01

    A series of zwitterionic hybrid membranes were prepared via the ring opening of 1,3-propanesultone with the amine groups in the chains of TMSPEDA and a subsequent sol-gel process. Their kinetic models for strontium removal were investigated using three two-parameter kinetic equations (i.e., Lagergren pseudo-first order, pseudo-second order, and Elovich models). Adsorption mechanism was evaluated using intraparticle diffusion model, diffusion-chemisorption model, and Boyd equation. It was found that the adsorption of strontium ions on these zwitterionic hybrid membranes fitted well with the Lagergren pseudo-second order model. Mechanism insights suggested that diffusion-chemisorption was one of the main adsorption mechanisms. Boyd equation exhibited that film-diffusion mechanism might be the control process during the starting period. These findings are very useful in strontium removal from the stimulated radioactive wastewater. PMID:25405224

  17. Removal of Congo Red from Aqueous Solution by Anion Exchange Membrane (EBTAC): Adsorption Kinetics and Themodynamics.

    Science.gov (United States)

    Khan, Muhammad Imran; Akhtar, Shahbaz; Zafar, Shagufta; Shaheen, Aqeela; Khan, Muhammad Ali; Luque, Rafael; Rehman, Aziz Ur

    2015-07-08

    The adsorption behavior of anionic dye congo red (CR) from aqueous solutions using an anion exchange membrane (EBTAC) has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) were calculated for the adsorption of congo red, indicating an exothermic process.

  18. Removal of Congo Red from Aqueous Solution by Anion Exchange Membrane (EBTAC: Adsorption Kinetics and Themodynamics

    Directory of Open Access Journals (Sweden)

    Muhammad Imran Khan

    2015-07-01

    Full Text Available The adsorption behavior of anionic dye congo red (CR from aqueous solutions using an anion exchange membrane (EBTAC has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy (∆G°, enthalpy (∆H° and entropy (∆S° were calculated for the adsorption of congo red, indicating an exothermic process.

  19. Biotransformation of trace organic chemicals during groundwater recharge: How useful are first-order rate constants?

    KAUST Repository

    Regnery, J.

    2015-05-29

    This study developed relationships between the attenuation of emerging trace organic chemicals (TOrC) during managed aquifer recharge (MAR) as a function of retention time, system characteristics, and operating conditions using controlled laboratory-scale soil column experiments simulating MAR. The results revealed that MAR performance in terms of TOrC attenuation is primarily determined by key environmental parameters (i.e. redox, primary substrate). Soil columns with suboxic and anoxic conditions performed poorly (i.e. less than 30% attenuation of moderately degradable TOrC) in comparison to oxic conditions (on average between 70-100% attenuation for the same compounds) within a residence time of three days. Given this dependency on redox conditions, it was investigated if key parameter-dependent rate constants are more suitable for contaminant transport modeling to properly capture the dynamic TOrC attenuation under field-scale conditions. Laboratory-derived first-order removal kinetics were determined for 19 TOrC under three different redox conditions and rate constants were applied to MAR field data. Our findings suggest that simplified first-order rate constants will most likely not provide any meaningful results if the target compounds exhibit redox dependent biotransformation behavior or if the intention is to exactly capture the decline in concentration over time and distance at field-scale MAR. However, if the intention is to calculate the percent removal after an extended time period and subsurface travel distance, simplified first-order rate constants seem to be sufficient to provide a first estimate on TOrC attenuation during MAR.

  20. Biotransformation of trace organic chemicals during groundwater recharge: How useful are first-order rate constants?

    Science.gov (United States)

    Regnery, J; Wing, A D; Alidina, M; Drewes, J E

    2015-08-01

    This study developed relationships between the attenuation of emerging trace organic chemicals (TOrC) during managed aquifer recharge (MAR) as a function of retention time, system characteristics, and operating conditions using controlled laboratory-scale soil column experiments simulating MAR. The results revealed that MAR performance in terms of TOrC attenuation is primarily determined by key environmental parameters (i.e., redox, primary substrate). Soil columns with suboxic and anoxic conditions performed poorly (i.e., less than 30% attenuation of moderately degradable TOrC) in comparison to oxic conditions (on average between 70-100% attenuation for the same compounds) within a residence time of three days. Given this dependency on redox conditions, it was investigated if key parameter-dependent rate constants are more suitable for contaminant transport modeling to properly capture the dynamic TOrC attenuation under field-scale conditions. Laboratory-derived first-order removal kinetics were determined for 19 TOrC under three different redox conditions and rate constants were applied to MAR field data. Our findings suggest that simplified first-order rate constants will most likely not provide any meaningful results if the target compounds exhibit redox dependent biotransformation behavior or if the intention is to exactly capture the decline in concentration over time and distance at field-scale MAR. However, if the intention is to calculate the percent removal after an extended time period and subsurface travel distance, simplified first-order rate constants seem to be sufficient to provide a first estimate on TOrC attenuation during MAR. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. Dynamo onset as a first-order transition: lessons from a shell model for magnetohydrodynamics.

    Science.gov (United States)

    Sahoo, Ganapati; Mitra, Dhrubaditya; Pandit, Rahul

    2010-03-01

    We carry out systematic and high-resolution studies of dynamo action in a shell model for magnetohydrodynamic (MHD) turbulence over wide ranges of the magnetic Prandtl number PrM and the magnetic Reynolds number ReM. Our study suggests that it is natural to think of dynamo onset as a nonequilibrium first-order phase transition between two different turbulent, but statistically steady, states. The ratio of the magnetic and kinetic energies is a convenient order parameter for this transition. By using this order parameter, we obtain the stability diagram (or nonequilibrium phase diagram) for dynamo formation in our MHD shell model in the (PrM-1,ReM) plane. The dynamo boundary, which separates dynamo and no-dynamo regions, appears to have a fractal character. We obtain a hysteretic behavior of the order parameter across this boundary and suggestions of nucleation-type phenomena.

  2. Adsorption Kinetics of Cd(ll and Pb(ll Ions from Aqueous Solutions by Bamboo-Based Activated Charcoal and Bamboo Dust

    Directory of Open Access Journals (Sweden)

    Stevens Azubuike Odoemelam

    2015-01-01

    Full Text Available The use of bamboo dust (BD and bamboo-based activated charcoal for adsorption of Pb(ll and Cd(ll ions from aqueous solutions were assessed in this work. The effect of contact time on the uptake of these metal ions was studied in batch process. The adsorption data were correlated with pseudo first-order, pseudo second-order and diffusivity kinetic models. Results show that pseudo second-order kinetic model gave the best description for the adsorption process. Kinetic studies further showed that the adsorption transport mechanism was particle-diffusion controlled for the adsorption process. Results obtained generally showed that lead(ll ions were better adsorbed onto both adsorbents as compared to cadmium(ll. Comparison of sorption capacity for the two adsorbents shows that bamboo-based activated charcoal exhibited better removal for the metal ions than the bamboo dust.

  3. The Photocatalytic Kinetics of the Methyl Orange Degradation in the Aqueous Suspension of Irradiated TiO2

    OpenAIRE

    Mazyar Peyda; Nahid Nabavi; Gholam Reza Sadeghi

    2017-01-01

    Background: In the present study, the photocatalytic (TiO2/UV) batch process has been used for the methyl orange (MO) degradation. Methods: In the catalyst range from 0.25 to 1.5 g/L, the optimum concentration of TiO2 was found to be 0.5 g/L. The kinetic behavior of MO degradation has been evaluated using the non-linear form of pseudo-first order and pseudo-second order models. Results: The goodness of the fit was evaluated using the correlation coefficient R2 value and the mean square ...

  4. Discrete pseudo-integrals

    Czech Academy of Sciences Publication Activity Database

    Mesiar, Radko; Li, J.; Pap, E.

    2013-01-01

    Roč. 54, č. 3 (2013), s. 357-364 ISSN 0888-613X R&D Projects: GA ČR GAP402/11/0378 Institutional support: RVO:67985556 Keywords : concave integral * pseudo-addition * pseudo- multiplication Subject RIV: BA - General Mathematics Impact factor: 1.977, year: 2013 http://library.utia.cas.cz/separaty/2013/E/mesiar-discrete pseudo-integrals. pdf

  5. Almost Automorphic and Pseudo-Almost Automorphic Solutions to Semilinear Evolution Equations with Nondense Domain

    Directory of Open Access Journals (Sweden)

    Bruno de Andrade

    2009-01-01

    Full Text Available We study the existence and uniqueness of almost automorphic (resp., pseudo-almost automorphic solutions to a first-order differential equation with linear part dominated by a Hille-Yosida type operator with nondense domain.

  6. Sorption kinetics of diuron on volcanic ash derived soils.

    Science.gov (United States)

    Cáceres-Jensen, Lizethly; Rodríguez-Becerra, Jorge; Parra-Rivero, Joselyn; Escudey, Mauricio; Barrientos, Lorena; Castro-Castillo, Vicente

    2013-10-15

    Diuron sorption kinetic was studied in Andisols, Inceptisol and Ultisols soils in view of their distinctive physical and chemical properties: acidic pH and variable surface charge. Two types of kinetic models were used to fit the experimental dates: those that allow to establish principal kinetic parameters and modeling of sorption process (pseudo-first-order, pseudo-second-order), and some ones frequently used to describe solute transport mechanisms of organic compounds on different sorbents intended for remediation purposes (Elovich equation, intraparticle diffusion, Boyd, and two-site nonequilibrium models). The best fit was obtained with the pseudo-second-order model. The rate constant and the initial rate constant values obtained through this model demonstrated the behavior of Diuron in each soil, in Andisols were observed the highest values for both parameters. The application of the models to describe solute transport mechanisms allowed establishing that in all soils the mass transfer controls the sorption kinetic across the boundary layer and intraparticle diffusion into macropores and micropores. The slowest sorption rate was observed on Ultisols, behavior which must be taken into account when the leaching potential of Diuron is considered. Copyright © 2013 Elsevier B.V. All rights reserved.

  7. Adsorption of methyl tert-butyl ether using granular activated carbon : equilibrium and kinetic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Chen, D.Z.; Chen, J.M. [Zhejiang Univ. of Technology, Hangzhou (China). College of Biological and Environmental Engineering; Zhang, J.X. [Yuhuan County Environmental Protection Bureau, Yuhuan (China)

    2010-04-01

    Methyl tert-butyl ether (MTBE) is used in gasoline as a replacement for lead in order to promote combustion efficiency. However, MTBE is one of the most frequently detected underground water pollutants caused by leaks in underground fuel storage tanks, and has been classified as a potential human carcinogen. This study investigated that adsorption of MTBE through a granular activated carbon filter. Pseudo-first order, pseudo-second order equation and intraparticle diffusion equation kinetic models were used to predict the constant rate of adsorption. The study showed that the pseudo-second order model accurately described the adsorption kinetics for the removal of MTBE from an aqueous solution onto granular activated carbon. The Lagergren first-order rate constant k{sub 1} and the pseudo-second order rate constant k{sub 2} decreased with initial increases of MTBE. A Boyd plot was used to demonstrate that external mass transfer is the principal rate-limiting step during the initial stages of adsorption. Results of the study indicated that granular activated carbon is an effective adsorbent for MTBE. 34 refs., 2 tabs., 7 figs.

  8. kinetics

    Directory of Open Access Journals (Sweden)

    D. E. Panayotounakos

    2002-01-01

    Full Text Available We present the construction of the general solutions concerning the one-dimensional (1D fully dynamic nonlinear partial differential equations (PDEs, for the erosion kinetics. After an uncoupling procedure of the above mentioned equations a second–order nonlinear PDE of the Monge type governing the porosity is derived, the general solution of which is constructed in the sense that a full complement of arbitrary functions (as many as the order is introduced. Afterwards, we specify the above solution according to convenient initial conditions.

  9. Kinetic study of brilliant green adsorption from aqueous solution onto white rice husk ash.

    Science.gov (United States)

    Tavlieva, Mariana P; Genieva, Svetlana D; Georgieva, Velyana G; Vlaev, Lyubomir T

    2013-11-01

    The present research was focused on the study of adsorption kinetics of brilliant green (BG) onto white rice husk ash from aqueous solutions. The research was performed in the temperature interval 290-320 K in 10° steps and in the concentration range of 3-100 mg L(-1). Batch studies were conducted in order to determine the optimal adsorbent dose, and the time required to reach the adsorption equilibrium at each temperature. The effect of the initial concentration of brilliant green was studied (pH not adjusted), as well as the effect of temperature. The maximum adsorption capacity of the WRHA for BG at 320 K was determined to be 85.56 mg g(-1). The adsorption kinetic data were analyzed employing several kinetic models: pseudo-first-order equation, pseudo-second-order equation, Elovichequation, Banghman's equation, Diffusion-chemisorption model, and Boyd kinetic expression. It was established that the adsorption process obeyed the pseudo-second-order kinetic model. Based on the rate constants obtained by this kinetic model using Arrhenius and Eyring equations, the activation parameters were determined, namely the activation energy (50.04 kJ mol(-1)), the change of entropy (-318.31 J mol(-1) K(-1)), enthalpy (-47.50 kJ mol(-1)), and Gibbs free energy (range 44.81-54.36 kJ mol(-1)) for the formation of activated complex from the reagents. Copyright © 2013 Elsevier Inc. All rights reserved.

  10. Kinetic characteristics of gas-liquid ozone reactions

    Science.gov (United States)

    Levanov, A. V.; Isaikina, O. Ya.; Lunin, V. V.

    2017-10-01

    An experimental chemical method for determining the kinetic characteristics (volumetric mass transfer coefficient and rate constant of a second-order reaction) of gas-liquid ozone reactions in a bubble column reactor is described. The calculation formulas are substantiated, and the ranges of values of the experimental factors that determine the method's limits of applicability are found. The conditions under which the boundary-value problem of a gas-liquid ozone reaction of the second order can be reduced to a problem of a pseudo-first order reaction allowing an analytical solution are revealed.

  11. Kinetics and Mechanism of Bacterial Disinfection by Chlorine Dioxide1

    Science.gov (United States)

    Benarde, Melvin A.; Snow, W. Brewster; Olivieri, Vincent P.; Davidson, Burton

    1967-01-01

    Survival data are presented for a fecal strain of Escherichia coli exposed to three concentrations of chlorine dioxide at four temperatures. Chick's first-order reaction equation is generalized to a pseudo nth-order model. Nonlinear least squares curve-fitting of the survival data to the nth order model was performed on an analogue computer. The data were observed to follow fractional order kinetics with respect to survival concentration, with an apparent activation energy of 12,000 cal/mole. Initial experiments support the thesis that the mechanism of chlorine dioxide kill occurs via disruption of protein synthesis. Images Fig. 1 Fig. 2 Fig. 3 PMID:5339839

  12. Modeling the kinetics of essential oil hydrodistillation from plant materials

    Directory of Open Access Journals (Sweden)

    Milojević Svetomir Ž.

    2013-01-01

    Full Text Available The present work deals with modeling the kinetics of essential oils extraction from plant materials by water and steam distillation. The experimental data were obtained by studying the hydrodistillation kinetics of essential oil from juniper berries. The literature data on the kinetics of essential oils hydrodistillation from different plant materials were also included into the modeling. A physical model based on simultaneous washing and diffusion of essential oil from plant materials were developed to describe the kinetics of essential oils hydrodistillation, and two other simpler models were derived from this physical model assuming either instantaneous washing followed by diffusion or diffusion with no washing (i.e. the first-order kinetics. The main goal was to compare these models and suggest the optimum ones for water and steam distillation and for different plant materials. All three models described well the experimental kinetic data on water distillation irrespective of the type of distillation equipment and its scale, the type of plant materials and the operational conditions. The most applicable one is the model involving simultaneous washing and diffusion of the essential oil. However, this model was generally inapplicable for steam distillation of essential oils, except for juniper berries. For this hydrodistillation technique, the pseudo first-order model was shown to be the best one. In a few cases, a variation of the essential oil yield with time was observed to be sigmoidal and was modeled by the Boltzmann sigmoid function.

  13. Lead removal from aqueous solution by natural and pretreated clinoptilolite: Adsorption equilibrium and kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Guenay, Ahmet [Chairmenship of Environmental Protection Department, Antalya Great Municipality, Antalya (Turkey); Arslankaya, Ertan [Department of Environmental Engineering, Yildiz Technical University, 34349 Yildiz, Istanbul (Turkey); Tosun, Ismail [Department of Environmental Engineering, Suleyman Demirel University, 32260 Isparta (Turkey)]. E-mail: ismailt@mmf.sdu.edu.tr

    2007-07-19

    Adsorption of Pb(II) ions from aqueous solution onto clinoptilolite has been investigated to evaluate the effects of contact time, initial concentration and pretreatment of clinoptilolite on the removal of Pb(II). Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Temkin and Dubinin-Radushkevich), four three-parameter (Redlich-Peterson, Sips, Toth and Khan) isotherm models, and kinetic models including the pseudo-first order, the pseudo-second order and Elovich equations using nonlinear regression technique. Of the two-parameter isotherms, Temkin isotherm was the best to describe the experimental data. Three-parameter isotherms have higher regression coefficients (>0.99) and lower relative errors (<5%) than two-parameter isotherms. The best fitting isotherm was the Sips followed by Toth and Redlich-Peterson isotherm equations. Maximum experimental adsorption capacity was found to be 80.933 and 122.400 mg/g for raw and pretreated clinoptilolite, respectively, for the initial concentration of 400 mg/L. Kinetic parameters; rate constants, equilibrium adsorption capacities and related coefficients for each kinetic model were evaluated according to relative errors and correlation coefficients. Results of the kinetic studies show that best fitted kinetic models are obtained to be in the order: the pseudo-first order, the pseudo-second order and Elovich equations. Using the thermodynamic equilibrium coefficients, Gibbs free energy of the Pb(II)-clinoptilolite system was evaluated. The negative value of change in Gibbs free energy ({delta}G{sup o}) indicates that adsorption of Pb(II) on clinoptilolite is spontaneous.

  14. Kinetic sorption of contaminants of emerging concern by a palygorskite-montmorillonite filter medium.

    Science.gov (United States)

    Berhane, Tedros M; Levy, Jonathan; Krekeler, Mark P S; Danielson, Neil D

    2017-06-01

    Kinetic sorption of bisphenol A (BPA), carbamazepine (CMZ) and ciprofloxacin (CIP) by three palygorskite-montmorillonite (Pal-Mt) granule sizes was studied. For BPA, CMZ and CIP, apparent sorption equilibrium was reached within about 3, 5 and 16 h, respectively. The highest and the lowest sorption capacities were by the small and the large granule sizes, respectively. Experimental results were compared to various sorption kinetics models to gain insights regarding the sorption processes and achieve a predictive capacity. The pseudo-second order (PSO) and the Elovich models performed the best while the pseudo-first order (PFO) model was only adequate for CMZ. The intraparticle-diffusion (IPD) model showed a two-step linear plot of BPA, CMZ and CIP sorption versus square root of time that was indicative of surface-sorption followed by IPD as a rate-limiting process before equilibrium was reached. Using the pseudo-first order (PFO) and the pseudo-second order (PSO) rate constants combined with previously-established Langmuir equilibrium sorption models, the kinetic sorption (ka) and desorption (kd) Langmuir kinetic rate constants were theoretically calculated for BPA and CIP. Kinetic sorption was then simulated using these theoretically calculated ka and kd values, and the simulations were compared to the observed behavior. The simulations fit the observed sorbed concentrations better during the early part of the experiments; the observed sorption during later times occurred more slowly than expected, supporting the hypothesis that IPD becomes a rate-limiting process during the course of the experiment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Adsorption and kinetic studies on the removal of chromium and copper onto Chitosan-g-maliec anhydride-g-ethylene dimethacrylate.

    Science.gov (United States)

    Gopal Reddi, M R; Gomathi, T; Saranya, M; Sudha, P N

    2017-11-01

    The present work was designed to remove toxic metals chromium and copper using the double grafted copolymer Chitosan-g-Maleic anhydride-g-ethylene dimethacrylate. The graft copolymer was synthesized through chain polymerization reaction using ceric ammonium nitrate as the initiator. Prepared Chitosan-g-Maleic anhydride-g-ethylene dimethacrylate was used in order to remove the heavy metals chromium and copper from aqueous solutions of 200ppm/L concentration proceeding batch adsorption process by varying the parameters such as adsorbent dose, contact time, pH and initial concentration of the metal solution. The experimental data were equipped with isotherm models such as Langmuir and Freundlich and pseudo-first order and pseudo-second order kinetics. The calculated results revealed that the adsorption favours Freundlich isotherm and follows pseudo-second order kinetics. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. A pseudo-matched filter for chaos.

    Science.gov (United States)

    Cohen, Seth D; Gauthier, Daniel J

    2012-09-01

    A matched filter maximizes the signal-to-noise ratio of a signal. In the recent work of Corron et al. [Chaos 20, 023123 (2010)], a matched filter is derived for the chaotic waveforms produced by a piecewise-linear system. This system produces a readily available binary symbolic dynamics that can be used to perform correlations in the presence of large amounts of noise using the matched filter. Motivated by these results, we describe a pseudo-matched filter, which operates similarly to the original matched filter. It consists of a notch filter followed by a first-order, low-pass filter. We compare quantitatively the matched filter's performance to that of our pseudo-matched filter using correlation functions. On average, the pseudo-matched filter performs with a correlation signal-to-noise ratio that is 2.0 dB below that of the matched filter. Our pseudo-matched filter, though somewhat inferior in comparison to the matched filter, is easily realizable at high speed (>1 GHz) for potential radar applications.

  17. Pseudo Class III malocclusion

    National Research Council Canada - National Science Library

    Al-Hummayani, Fadia M

    2016-01-01

    .... This case report represents a none traditional treatment modality to treat deep anterior crossbite in an adult pseudo class III malocclusion complicated by severely retruded, supraerupted upper and lower incisors...

  18. Quality by Design (QbD approach to develop HPLC method for eberconazole nitrate: Application oxidative and photolytic degradation kinetics

    Directory of Open Access Journals (Sweden)

    M. Vamsi Krishna

    2016-09-01

    Full Text Available Stability of eberconazole nitrate (EBZ was investigated using a stability indicating HPLC method. Quality by Design (QbD approach was used to facilitate method development. EBZ was exposed to different stress conditions, including hydrolytic (acid, base, neutral, oxidative, thermal and photolytic. Relevant degradation was found to take place in all the conditions. The degradation of EBZ followed (pseudo first-order kinetics under experimental conditions. The kinetic parameters (rate constant, t1/2, and t90 of the degradation of EBZ were calculated.

  19. First-Order Parametric Model of Reflectance Spectra for Dyed Fabrics

    Science.gov (United States)

    2016-02-19

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/5708--16-9666 First-Order Parametric Model of Reflectance Spectra for Dyed Fabrics D...LIMITATION OF ABSTRACT First-Order Parametric Model of Reflectance Spectra for Dyed Fabrics D. Aiken, S. Ramsey, T. Mayo, S.G. Lambrakos, and J. Peak Naval...Unclassified Unlimited 31 Daniel Aiken (202) 279-5293 Parametric modeling Inverse/direct analysis This report describes a first-order parametric model of

  20. Mean value first order second moment analysis of buckling of axially ...

    African Journals Online (AJOL)

    user

    These imperfect models are analysed using ANSYS non-linear FE buckling analysis including both geometrical and material ... symmetric I- cross section in compression and bending. Warren .... where, the matrix Φ* is the pseudo-inverse of the matrix Φ. The pseudo-inverse is calculated using the following equation based.

  1. Kinetics of Copper Adsorption from Effluent Stream by ZeoliteNaX

    Science.gov (United States)

    Singh, Surinder; Sambi, S. S.; Sharma, S. K.; Pandey, Pankaj Kumar

    2010-06-01

    The batch experiments were conducted to study the copper (II) removal by ZeoliteNaX at temperature of 288+1 K, adsorbent dose of 2 g/L and contact time of 24 hour. Effects of pH, temperature, contact time and Cu (II) ion concentration by the adsorbent were investigated. The data were analyzed using the Langmuir, Freundlich and Temkin isotherms. Freundlich isotherm was found to correlate the adsorption of Cu (II) better and the mono-layer adsorption capacity for Cu (II) removal was 41.6 mg/g. The adsorbed amounts of Cu (II) reached equilibrium within 150 minutes. The four adsorption kinetic models namely, the first order equation, second order equations, pseudo-first order equation and pseudo second-order equations were also tested to fit the data. The pseudo-first-order equation was found to fit best for the experimental data. Thermodynamic analysis indicated the spontaneous and endothermic nature of the adsorption of Cu (II) by ZeoliteNaX.

  2. Second derivative multistep method for solving first-order ordinary differential equations

    Science.gov (United States)

    Turki, Mohammed Yousif; Ismail, Fudziah; Senu, Norazak; Ibrahim, Zarina Bibi

    2016-06-01

    In this paper, a new second derivative multistep method was constructed to solve first order ordinary differential equations (ODEs). In particular, we used the new method as a corrector method and 5-steps Adam's Bashforth method as a predictor method to solve first order (ODEs). Numerical results were compared with the existing methods which clearly showed the efficiency of the new method.

  3. On new solutions of linear system of first -order fuzzy differential equations with fuzzy coefficient

    Directory of Open Access Journals (Sweden)

    A. Karimi Dizicheh

    2016-03-01

    Full Text Available In this paper, we firstly introduce system of first order fuzzy differential equations. Then, we convert the problem to two crisp systems of first order differential equations. For numerical aspects, we apply exponentially fitted Runge Kutta method to solve the fuzzy problems. We solve some well-known examples in order to demonstrate the applicability and accuracy of results.

  4. Compact First-Order Probe for Spherical Near-Field Antenna Measurements at Low Frequencies

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.

    2017-01-01

    Guidelines for designing compact and lightweight first-order probes for spherical near-field antenna measurements at frequencies below 1 GHz that exploit first-order properties of electrically small self-resonant radiators combined into superdirective endfire arrays are established theoretically...... is just 343 mm above a 720-mm circular ground plane and weighs about 5 kg....

  5. Equilibrium and kinetic studies on free cyanide adsorption from aqueous solution by activated carbon.

    Science.gov (United States)

    Behnamfard, Ali; Salarirad, Mohammad Mehdi

    2009-10-15

    Adsorption equilibrium and kinetics of free cyanide onto activated carbon were investigated in the batch tests, and the effects of contact time (1-72 h) and initial cyanide concentrations in the range of 102-532 mg/L were studied. Linear regression was used to determine the best fit of equilibrium and kinetics expressions. The two-parameter models including Freundlich, Dubinin-Radushkevich, Temkin and four different linearized forms of Langmuir and three-parameter models including Redlich-Peterson and Koble-Corrigan were employed for fitting the equilibrium data and it was found that, three-parameter models fitted the data better than the two-parameter models and among the three-parameter models the equilibrium data are best represented by Koble-Corrigan model. A number of kinetic models including fractional power, zero order, first order, pseudo-first order, Elovich, second order, intraparticle diffusion and four different linearized forms of pseudo-second order models were tested to fit the kinetic data. The latter was found to be consistent with the data. Intraparticle diffusion plots show that the adsorption process of free cyanide is a two steps process. In the first step, the adsorption of cyanide is fast while in the second step, cyanide adsorption slows down.

  6. Adsorption and kinetic studies of seven different organic dyes onto magnetite nanoparticles loaded tea waste and removal of them from wastewater samples

    Science.gov (United States)

    Madrakian, Tayyebeh; Afkhami, Abbas; Ahmadi, Mazaher

    2012-12-01

    Adsorption of seven different organic dyes from aqueous solutions onto magnetite nanoparticles loaded tea waste (MNLTW) was studied. MNLTW was prepared via a simple method and was fully characterized. The properties of this magnetic adsorbent were characterized by scanning electron microscopy and X-ray diffraction. Adsorption characteristics of the MNLTW adsorbent was examined using Janus green, methylene blue, thionine, crystal violet, Congo red, neutral red and reactive blue 19 as adsorbates. Dyes adsorption process was thoroughly studied from both kinetic and equilibrium points of view for all adsorbents. The experimental isotherm data were analyzed using Langmuir, Freundlich, Sips, Redlich-Peterson, Brouers-Sotolongo and Temkin isotherms. The results from Langmuir isotherm indicated that the capacity of MNLTW for the adsorption of cationic dyes was higher than that for anionic dyes. The adsorption kinetics was tested for the pseudo-first order and pseudo-second order kinetic models at different experimental conditions.

  7. Kinetic and thermodynamic studies of Hg(II) adsorption onto MCM-41 modified by ZnCl{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Raji, Foad; Pakizeh, Majid, E-mail: pakizeh@um.ac.ir

    2014-05-01

    Highlights: • ZnCl{sub 2}-MCM-41 introduced itself as a high performance sorbent for Hg(II) removal. • Kinetics data were analyzed by pseudo-first and second order and diffusion models. • The adsorption kinetic data were described very well by pseudo-second-order model. • Sorption of Hg(II) by ZnCl{sub 2}-MCM-41 was an exothermic chemical process. • Hg(II) sorption was a spontaneous process since of minus free energy change. - Abstract: Kinetics and thermodynamics of mercury ions sorption onto ZnCl{sub 2}-MCM-41 sorbent were studied. Several rate models in the form of two main classes of mathematic kinetic models (adsorption reaction models and adsorption diffusion models) were investigated. Pseudo-first-order, pseudo-second-order, Elovich, film and intraparticle diffusion models were used to analyze the kinetic data. Results showed that the pseudo-second order model can well describe the adsorption kinetic data. The thermodynamic parameters, such as Gibb's free energy change (ΔG°), standard enthalpy change (ΔH°) and standard entropy change (ΔS°) were also evaluated. Negative value of free energy at temperature range of 20–55 °C, indicates the spontaneous nature of Hg(II) sorption by ZnCl{sub 2}-MCM-41 sorbent. The adsorption capacity which was found to decrease with temperature showed the exothermic nature of the mercury sorption process (ΔH° = −49.4 kJ mol{sup −1}). The negative ΔS° value (−148.9 J mol{sup −1} K{sup −1}) revealed a decrease in the randomness at the solid/solution interface and also indicated the fast adsorption of the Hg(II) onto active sites.

  8. Silica coating and photocatalytic activities of ZnO nanoparticles: Effect of operational parameters and kinetic study

    Science.gov (United States)

    Ismail, L. F. M.; Emara, M. M.; El-Moselhy, M. M.; Maziad, N. A.; Hussein, O. K.

    2014-10-01

    Silica-coating ZnO nanoparticles were prepared using the hydrothermal method. The prepared nanoparticles were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy dispersive X-ray Spectroscopy (EDX). It was found that ultrafine core/shell structured silica-coating ZnO nanoparticles were successfully obtained. TEM analysis revealed a continuous and uniform silica coating layer of about 8 nm in thickness on the surface of ZnO nanoparticles. The photocatalytic performance of silica-coating ZnO core/shell nanoparticles in methylene blue aqueous solution was investigated. The effects of some operational parameters such as pH value, nanocatalyst loading and initial MB concentration on the degradation efficiency were discussed. Kinetic parameters were experimentally determined and a pseudo-first-order kinetic was observed. Thus, the main advantage of the coating is the stability of the photocatalysts and the better performance in acidic or alkaline solutions. Compared to ZnO the maximum apparent rate constant is obtained at pH 8.5 (pH 11.5 in case of bare ZnO). Moreover, the Langmuir adsorption model was applied to describe the equilibrium isotherm at different MB concentration. The applicability of the Langmuir isotherm suggests monolayer coverage of the MB onto surface of silica-coating ZnO nanoparticles. The kinetics of the adsorption with respect to the initial dye concentration, were also investigated. The pseudo-first-order and second-order kinetic models were used and the rate constants were evaluated. The kinetic studies revealed that the pseudo-second-order kinetic model better represented the adsorption kinetics, suggesting that the adsorption process may be chemisorption.

  9. Silica coating and photocatalytic activities of ZnO nanoparticles: effect of operational parameters and kinetic study.

    Science.gov (United States)

    Ismail, L F M; Emara, M M; El-Moselhy, M M; Maziad, N A; Hussein, O K

    2014-10-15

    Silica-coating ZnO nanoparticles were prepared using the hydrothermal method. The prepared nanoparticles were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy dispersive X-ray Spectroscopy (EDX). It was found that ultrafine core/shell structured silica-coating ZnO nanoparticles were successfully obtained. TEM analysis revealed a continuous and uniform silica coating layer of about 8nm in thickness on the surface of ZnO nanoparticles. The photocatalytic performance of silica-coating ZnO core/shell nanoparticles in methylene blue aqueous solution was investigated. The effects of some operational parameters such as pH value, nanocatalyst loading and initial MB concentration on the degradation efficiency were discussed. Kinetic parameters were experimentally determined and a pseudo-first-order kinetic was observed. Thus, the main advantage of the coating is the stability of the photocatalysts and the better performance in acidic or alkaline solutions. Compared to ZnO the maximum apparent rate constant is obtained at pH 8.5 (pH 11.5 in case of bare ZnO). Moreover, the Langmuir adsorption model was applied to describe the equilibrium isotherm at different MB concentration. The applicability of the Langmuir isotherm suggests monolayer coverage of the MB onto surface of silica-coating ZnO nanoparticles. The kinetics of the adsorption with respect to the initial dye concentration, were also investigated. The pseudo-first-order and second-order kinetic models were used and the rate constants were evaluated. The kinetic studies revealed that the pseudo-second-order kinetic model better represented the adsorption kinetics, suggesting that the adsorption process may be chemisorption. Copyright © 2014. Published by Elsevier B.V.

  10. First-order Convex Optimization Methods for Signal and Image Processing

    DEFF Research Database (Denmark)

    Jensen, Tobias Lindstrøm

    2012-01-01

    In this thesis we investigate the use of first-order convex optimization methods applied to problems in signal and image processing. First we make a general introduction to convex optimization, first-order methods and their iteration complexity. Then we look at different techniques, which can...... be used with first-order methods such as smoothing, Lagrange multipliers and proximal gradient methods. We continue by presenting different applications of convex optimization and notable convex formulations with an emphasis on inverse problems and sparse signal processing. We also describe the multiple...

  11. Perturbation of sectorial projections of elliptic pseudo-differential operators

    DEFF Research Database (Denmark)

    Booss-Bavnbek, Bernhelm; Chen, Guoyuan; Lesch, Matthias

    2012-01-01

    Over a closed manifold, we consider the sectorial projection of an elliptic pseudo-differential operator A of positive order with two rays of minimal growth. We showthat it depends continuously on A when the space of pseudo-differential operators is equipped with a certain topology whichwe...... explicitly describe. Our main application deals with a continuous curve of arbitrary first order linear elliptic differential operators over a compact manifold with boundary. Under the additional assumption of the weak inner unique continuation property, we derive the continuity of a related curve...

  12. Thermodynamic and kinetic studies of cadmium adsorption from aqueous solution onto rice husk

    Directory of Open Access Journals (Sweden)

    P. Senthil Kumar

    2010-06-01

    Full Text Available The adsorption behavior of rice husk for cadmium ions from aqueous solutions has been investigated as a function of appropriate equilibrium time, adsorbent dose, temperature, adsorbate concentrations and pH in a batch system. Studies showed that the pH of aqueous solutions affected cadmium removal with the result that removal efficiency increased with increasing solution pH. The maximum adsorption was 98.65% at solution pH 6, contact time 60 min and initial concentration of 25 mg/L. The experimental data were analysed by the Langmuir, Freundlich and Temkin models of adsorption. The characteristic parameters for each isotherm and related correlation coefficients have been determined.  Thermodynamic parameters such as,  and have also been evaluated and it has been found that the sorption process was feasible, spontaneous and exothermic in nature. The kinetics of the sorption were analysed using the pseudo-first order and pseudo-second order kinetic models. Kinetic parameters, rate constants, equilibrium sorption capacities and related correlation coefficients for each kinetic model were calculated and discussed. It was shown that the adsorption of cadmium could be described by the pseudo-second order equation, suggesting that the adsorption process is presumably a chemisorption. The rice husk investigated in this study showed good potential for the removal of cadmium from aqueous solutions. The goal for this work is to develop inexpensive, highly available, effective metal ion adsorbents from natural waste as alternative to existing commercial adsorbents.

  13. Development of adsorbent from Teflon waste by radiation induced grafting: equilibrium and kinetic adsorption of dyes.

    Science.gov (United States)

    Goel, N K; Kumar, Virendra; Pahan, S; Bhardwaj, Y K; Sabharwal, S

    2011-10-15

    Mutual radiation grafting technique was employed to graft polyacrylic acid (PAA) onto Polytetrafluoroethylene (Teflon) scrap using high energy gamma radiation. Polyacrylic acid-g-Teflon (PAA-g-Teflon) adsorbent was characterized by grafting extent measurement, FTIR spectroscopy, SEM and wet ability & surface energy analysis. The PAA-g-Teflon adsorbent was studied for dye adsorption from aqueous solution of basic dyes, namely, Basic red 29 (BR29) and Basic yellow 11 (BY11). The equilibrium adsorption data were analyzed by Langmuir and Freundlich adsorption isotherm models, whereas, adsorption kinetics was analyzed using pseudo-first order, pseudo-second order and intra-particle diffusion kinetic models. Equilibrium adsorption of BR29 was better explained by Langmuir adsorption model, while that of BY11 by Freundlich adsorption model. The adsorption capacity for BY11 was more than for BR29. Separation factor (R(L)) was found to be in the range 0 0.99) and better agreement between the q(e,cal) and q(e,exp) values suggested that pseudo-second order kinetic model better represents the kinetic adsorption data. The non-linearity obtained for intra-particle diffusion plot indicated, more than one process is involved in the adsorption of basic dyes. The desorption studies showed that ~95% of the adsorbed dye could be eluted in suitable eluent. Copyright © 2011. Published by Elsevier B.V.

  14. Kinetic and Thermodynamic Studies on the Phosphate Adsorption Removal by Dolomite Mineral

    Directory of Open Access Journals (Sweden)

    Xiaoli Yuan

    2015-01-01

    Full Text Available The efficiency of dolomite to remove phosphate from aqueous solutions was investigated. The experimental results showed that the removal of phosphate by dolomite was rapid (the removal rate over 95% in 60 min when the initial phosphate concentration is at the range of 10–50 mg/L. Several kinetic models including intraparticle diffusion model, pseudo-first-order model, Elovich model, and pseudo-second-order model were employed to evaluate the kinetics data of phosphate adsorption onto dolomite and pseudo-second-order model was recommended to describe the adsorption kinetics characteristics. Further analysis of the adsorption kinetics indicated that the phosphate removal process was mainly controlled by chemical bonding or chemisorption. Moreover, both Freundlich and Langmuir adsorption isotherms were used to evaluate the experimental data. The results indicated that Langmuir isotherm was more suitable to describe the adsorption characteristics of dolomite. Maximum adsorption capacity of phosphate by dolomite was found to be 4.76 mg phosphorous/g dolomite. Thermodynamic studies showed that phosphate adsorption was exothermic. The study implies that dolomite is an excellent low cost material for phosphate removal in wastewater treatment process.

  15. 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.

  16. Biosorption of lead contaminated wastewater using cattails (Typha angustifolia leaves: kinetic studies

    Directory of Open Access Journals (Sweden)

    YEN LING SHARAIN-LIEW

    2011-07-01

    Full Text Available In this work, dried leaves of Typha angustifolia (TA, also known as the common cattail, were used as an adsorbent in kinetic studies of Pb(II adsorption from synthetic aqueous solutions. Batch adsorption studies with dried TA leaves were conducted and they were able to adsorb Pb(II from 100 mL of a 25 mg L-1 Pb(II solution effectively with the optimized dosage of 0.6 g. Adsorption equilibrium was achieved within 8 h with an effective removal of 86.04 %. Adsorption kinetics was further evaluated using four kinetic models, i.e., the pseudo-first order, pseudo-second order, intraparticle diffusion and Elovich model. Fitting of the data was performed based on linear regression analysis. The sorption kinetic data fitted best to the pseudo-second order model with an R2 of 0.9979, followed closely by the Elovich model with an R2 of 0.9952. The obtained results showed the adsorption of Pb(II by TA leaves, which is an abundant biological material, is feasible, cheap and environmentally friendly.

  17. Degradação fotocatalítica do fungicida tebuconazole em solução aquosa Tebuconazole photocatalytic degradation kinetics

    Directory of Open Access Journals (Sweden)

    Thiago de Hermann Prestes

    2010-01-01

    Full Text Available The tebuconazole photocatalytic degradation kinetics was studied in a batch reactor using TiO2 (P25-Degussa as catalyst and a high pressure mercury lamp. The photolysis, adsorption and irradiation effects in the reaction rate were evaluated. Afterward, the suspension catalyst concentration and initial pH to the maximum reaction rate was determined. It was observed that the reaction rate can be approached by a pseudo-first order, with a maximum kinetics constant at 260 mg L-1catalyst concentration and pH 7.7.

  18. Equilibrium and kinetics studies for the adsorption of Ni2+ and Fe3+ ions from aqueous solution by graphene oxide

    Directory of Open Access Journals (Sweden)

    Konicki Wojciech

    2017-09-01

    Full Text Available In this study, the adsorption of Ni2+ and Fe3+ metal ions from aqueous solutions onto graphene oxide (GO have been explored. The effects of various experimental factors such as pH of the solution, initial metal ion concentration and temperature were evaluated. The kinetic, equilibrium and thermodynamic studies were also investigated. The adsorption rate data were analyzed using the pseudo-first-order kinetic model, the pseudo-second-order kinetic model and the intraparticle diffusion model. Kinetic studies indicate that the adsorption of both ions follows the pseudo-second-order kinetics. The isotherms of adsorption data were analyzed by adsorption isotherm models such as Langmuir and Freundlich. Equilibrium data fitted well with the Langmuir model. The maximum adsorption capacities of Ni2+ and Fe3+ onto GO were 35.6 and 27.3 mg g−1, respectively. In addition, various thermodynamic parameters, such as enthalpy (ΔHO, entropy (ΔSO and Gibbs free energy (ΔGO, were calculated.

  19. Adsorption of anionic azo-dyes from aqueous solutions onto graphene oxide: Equilibrium, kinetic and thermodynamic studies.

    Science.gov (United States)

    Konicki, Wojciech; Aleksandrzak, Małgorzata; Moszyński, Dariusz; Mijowska, Ewa

    2017-06-15

    In the present study, graphene oxide (GO) was used for the adsorption of anionic azo-dyes such as Acid Orange 8 (AO8) and Direct Red 23 (DR23) from aqueous solutions. GO was characterized by Fourier Transform-Infrared Spectroscopy (FTIR), X-ray Photoelectron Spectroscopy (XPS), Thermogravimetric Analysis (TGA), Atomic Force Microscopy (AFM), X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), High-Resolution Transmission Electron Microscopy (HRTEM) and zeta potential measurements. The influence of dye initial concentration, temperature and pH on AO8 and DR23 adsorption onto GO was investigated. Equilibrium data were analyzed by model equations such as Langmuir Freundlich, Temkin, Dubinin-Radushkevich and Redlich-Peterson isotherms and were best represented by Langmuir and Redlich-Peterson isotherm model. Kinetic adsorption data were analyzed using the pseudo-first-order kinetic model, the pseudo-second-order kinetic model and the intraparticle diffusion model. The adsorption kinetics well fitted using a pseudo-second-order kinetic model. Thermodynamics parameters, ΔG°, ΔH° and ΔS°, were calculated, indicating that the adsorption of AO8 and DR23 onto GO was spontaneous process. The adsorption process of AO8 onto GO was exothermic, while the adsorption of DR23 onto GO was endothermic in nature. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Elucidation of the naproxen sodium adsorption onto activated carbon prepared from waste apricot: Kinetic, equilibrium and thermodynamic characterization

    Energy Technology Data Exchange (ETDEWEB)

    Onal, Y. [Inonu University, Faculty of Engineering, Department of Chemical Engineering, 44280 Malatya (Turkey)], E-mail: yonal@inonu.edu.tr; Akmil-Basar, C.; Sarici-Ozdemir, C. [Inonu University, Faculty of Engineering, Department of Chemical Engineering, 44280 Malatya (Turkey)

    2007-09-30

    In this study, activated carbon (WA11Zn5) was prepared from waste apricot, which is waste in apricot plants in Malatya, by chemical activation with ZnCl{sub 2}. BET surface area of activated carbon is determined as 1060 m{sup 2}/g. The ability of WA11Zn5, to remove naproxen sodium from effluent solutions by adsorption has been studied. Equilibrium isotherms for the adsorption of naproxen sodium on activated carbon were measured experimentally. Results were analyzed by the Langmiur, Freundlich equation using linearized correlation coefficient at 298 K. The characteristic parameters for each isotherm have been determined. Langmiur equation is found to best represent the equilibrium data for naproxen sodium-WA11Zn5 systems. The monolayer adsorption capacity of WA11Zn5 for naproxen sodium was found to be 106.38 mg/g at 298 K. The process was favorable and spontaneous. The kinetics of adsorption of naproxen sodium have been discussed using three kinetic models, i.e., the pseudo first-order model, the pseudo second-order model, the intraparticle diffusion model. Kinetic parameters and correlation coefficients were determined. It was shown that the pseudo second-order kinetic equation could describe the adsorption kinetics for naproxen sodium onto WA11Zn5. The thermodynamic parameters, such as {delta}G{sup o}, {delta}S{sup o} and {delta}H{sup o}, were calculated. The thermodynamics of naproxen sodium-WA11Zn5 system indicates endothermic process.

  1. Existence of periodic solution for first order nonlinear neutral delay equations

    Directory of Open Access Journals (Sweden)

    Genqiang Wang

    2001-01-01

    Full Text Available In this paper by using the coincidence degree theory, sufficient conditions are given for the existence of periodic solutions of the first order nonlinear neutral delay differential equation.

  2. A linearly convergent first-order algorithm for total variation minimisation in image processing.

    Science.gov (United States)

    Dang, Cong D; Dai, Kaiyu; Lan, Guanghui

    2014-01-01

    We introduce a new formulation for total variation minimisation in image denoising. We also present a linearly convergent first-order method for solving this reformulated problem and show that it possesses a nearly dimension-independent iteration complexity bound.

  3. Propagators of Generalized Schrödinger Equations Related by First-order Supersymmetry

    Directory of Open Access Journals (Sweden)

    A. Schulze-Halberg

    2011-01-01

    Full Text Available We construct an explicit relation between propagators of generalized Schrödinger equations that are linked by a first-order supersymmetric transformation. Our findings extend and complement recent results on the conventional case [1].

  4. {epsilon} expansion analysis of very weak first-order transitions in the cubic anisotropy model. I

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, P.; Yaffe, L.G. [Department of Physics, University of Washington, Seattle, Washington 98195 (United States)

    1997-06-01

    The cubic anisotropy model provides a simple example of a system with an arbitrarily weak first-order phase transition. We present an analysis of this model using {epsilon}-expansion techniques with results up to next-to-next-to-leading order in {epsilon}. Specifically, we compute the relative discontinuity of various physical quantities across the transition in the limit that the transition becomes arbitrarily weakly first order. {copyright} {ital 1997} {ital The American Physical Society}

  5. Accelerated Extra-Gradient Descent: A Novel Accelerated First-Order Method

    OpenAIRE

    Diakonikolas, Jelena; Orecchia, Lorenzo

    2018-01-01

    We provide a novel accelerated first-order method that achieves the asymptotically optimal convergence rate for smooth functions in the first-order oracle model. To this day, Nesterov's Accelerated Gradient Descent (AGD) and variations thereof were the only methods achieving acceleration in this standard blackbox model. In contrast, our algorithm is significantly different from AGD, as it relies on a predictor-corrector approach similar to that used by Mirror-Prox [Nemirovski, 2004] and Extra...

  6. First-Order Logic Investigation of Relativity Theory with an Emphasis on Accelerated Observers

    Science.gov (United States)

    Székely, Gergely

    2010-05-01

    This thesis is mainly about extensions of the first-order logic axiomatization of special relativity introduced by Andréka, Madarász and Németi. These extensions include extension to accelerated observers, relativistic dynamics and general relativity; however, its main subject is the extension to accelerated observers (AccRel). One surprising result is that natural extension to accelerated observers is not enough if we want our theory to imply certain experimental facts, such as the twin paradox. Even if we add the whole first-order theory of real numbers to this natural extension, it is still not enough to imply the twin paradox. Nevertheless, that does not mean that this task cannot be carried out within first-order logic since by approximating a second-order logic axiom of real numbers, we introduce a first-order axiom schema that solves the problem. Our theory AccRel nicely fills the gap between special and general relativity theories, and only one natural generalization step is needed to achieve a first-order logic axiomatization of general relativity from it. We also show that AccRel is strong enough to make predictions about the gravitational effect slowing down time. Our general aims are to axiomatize relativity theories within pure first-order logic using simple, comprehensible and transparent basic assumptions (axioms); to prove the surprising predictions (theorems) of relativity theories from a few convincing axioms; to eliminate tacit assumptions from relativity by replacing them with explicit axioms formulated in first-order logic (in the spirit of the first-order logic foundation of mathematics and Tarski's axiomatization of geometry); and to investigate the relationship between the axioms and the theorems.

  7. Moderate deviations for the Durbin-Watson statistic related to the first-order autoregressive process

    OpenAIRE

    Bitseki Penda, Valère; Djellout, Hacène; Proïa, Frédéric

    2012-01-01

    24 pages.; The purpose of this paper is to investigate moderate deviations for the Durbin-Watson statistic associated with the stable first-order autoregressive process where the driven noise is also given by a first-order autoregressive process. We first establish a moderate deviation principle for both the least squares estimator of the unknown parameter of the autoregressive process as well as for the serial correlation estimator associated with the driven noise. It enables us to provide a...

  8. Kinetics and equilibrium adsorption study of p-nitrophenol onto activated carbon derived from walnut peel.

    Science.gov (United States)

    Liu, Xiaohong; Wang, Fang; Bai, Song

    2015-01-01

    An original activated carbon prepared from walnut peel, which was activated by zinc chloride, was modified with ammonium hydroxide or sodium hydroxide in order to contrast the adsorption property of the three different activated carbons. The experiment used a static adsorption test for p-nitrophenol. The effects of parameters such as initial concentration, contact time and pH value on amount adsorbed and removal are discussed in depth. The thermodynamic data of adsorption were analyzed by Freundlich and Langmuir models. The kinetic data of adsorption were measured by the pseudo-first-order kinetics and the pseudo-second-order kinetics models. The results indicated that the alkalized carbon samples derived from walnut peel had a better performance than the original activated carbon treated with zinc chloride. It was found that adsorption equilibrium time was 6 h. The maximum removal rate of activated carbon treated with zinc chloride for p-nitrophenol was 87.3% at pH 3,whereas the maximum removal rate of the two modified activated carbon materials was found to be 90.8% (alkalized with ammonium hydroxide) and 92.0% (alkalized with sodium hydroxide) at the same pH. The adsorption data of the zinc chloride activated carbon were fitted to the Langmuir isotherm model. The two alkalized activated carbon samples were fitted well to the Freundlich model. The pseudo-second-order dynamics equation provided better explanation of the adsorption dynamics data of the three activated carbons than the pseudo-first-order dynamics equation.

  9. Evaluation of the kinetic oxidation of aqueous volatile organic compounds by permanganate.

    Science.gov (United States)

    Mahmoodlu, Mojtaba G; Hassanizadeh, S Majid; Hartog, Niels

    2014-07-01

    The use of permanganate solutions for in-situ chemical oxidation (ISCO) is a well-established groundwater remediation technology, particularly for targeting chlorinated ethenes. The kinetics of oxidation reactions is an important ISCO remediation design aspect that affects the efficiency and oxidant persistence. The overall rate of the ISCO reaction between oxidant and contaminant is typically described using a second-order kinetic model while the second-order rate constant is determined experimentally by means of a pseudo first order approach. However, earlier studies of chlorinated hydrocarbons have yielded a wide range of values for the second-order rate constants. Also, there is limited insight in the kinetics of permanganate reactions with fuel-derived groundwater contaminants such as toluene and ethanol. In this study, batch experiments were carried out to investigate and compare the oxidation kinetics of aqueous trichloroethylene (TCE), ethanol, and toluene in an aqueous potassium permanganate solution. The overall second-order rate constants were determined directly by fitting a second-order model to the data, instead of typically using the pseudo-first-order approach. The second-order reaction rate constants (M(-1) s(-1)) for TCE, toluene, and ethanol were 8.0×10(-1), 2.5×10(-4), and 6.5×10(-4), respectively. Results showed that the inappropriate use of the pseudo-first-order approach in several previous studies produced biased estimates of the second-order rate constants. In our study, this error was expressed as a function of the extent (P/N) in which the reactant concentrations deviated from the stoichiometric ratio of each oxidation reaction. The error associated with the inappropriate use of the pseudo-first-order approach is negatively correlated with the P/N ratio and reached up to 25% of the estimated second-order rate constant in some previous studies of TCE oxidation. Based on our results, a similar relation is valid for the other volatile

  10. Chemistry and kinetics of I2 loss in urine distillate and humidity condensate

    Science.gov (United States)

    Atwater, James E.; Wheeler, Richard R., Jr.; Olivadoti, J. T.; Sauer, Richard L.

    1992-01-01

    Time-resolved molecular absorption spectrophotometry of iodinated ersatz humidity condensates and iodinated ersatz urine distillates across the UV and visible spectral regions are used to investigate the chemistry and kinetics of I2 loss in urine distillate and humidity condensate. Single contaminant systems at equivalent concentrations are also employed to study rates of iodine. Pseudo-first order rate constants are identified for ersatz contaminant model mixtures and for individual reactive constituents. The second order bimolecular reaction of elemental iodine with formic acid, producing carbon dioxide and iodine anion, is identified as the primary mechanism underlying the decay of residual I2 in ersatz humidity concentrate.

  11. Kinetics, equilibrium and thermodynamic studies on biosorption of Ag(I) from aqueous solution by macrofungus Pleurotus platypus

    Energy Technology Data Exchange (ETDEWEB)

    Das, Devlina [School of Biosciences and Technology, VIT University, Vellore, Tamil Nadu (India); Das, Nilanjana, E-mail: nilanjana00@lycos.com [School of Biosciences and Technology, VIT University, Vellore, Tamil Nadu (India); Mathew, Lazar [School of Biosciences and Technology, VIT University, Vellore, Tamil Nadu (India)

    2010-12-15

    Reports are available on silver binding capacity of some microorganisms. However, reports on the equilibrium studies on biosorption of silver by macrofungi are seldom known. The present study was carried out in a batch system using dead biomass of macrofungus Pleurotus platypus for the sorption of Ag(I). P. platypus exhibited the highest silver uptake of 46.7 mg g{sup -1} of biomass at pH 6.0 in the presence of 200 mg L{sup -1} Ag(I) at 20 deg. C. Kinetic studies based on fractional power, zero order, first order, pseudo-first order, Elovich, second order and pseudo-second order rate expressions have been carried out. The results showed a very good compliance with the pseudo-first order model. The experimental data were analyzed using two parameter isotherms (Langmuir, Freundlich, Dubinin-Radushkevich, Temkin and Halsey), three parameter isotherms (Redlich-Peterson, Sips, Khan, Koble-Corrigan, Hill, Toth, Radke-Prausmitz, Jossens, Langmuir-Freundlich), four parameter isotherms (Weber-van Vliet, Fritz-Schlunder, Baudu) and five parameter isotherm (Fritz-Schlunder). Thermodynamic parameters of the biosorption ({Delta}G, {Delta}H and {Delta}S) were also determined. The present study confirmed that macrofungus P. platypus may be used as a cost effective efficient biosorbent for the removal of Ag(I) ions from aqueous solution.

  12. Equilibrium, kinetic and thermodynamic studies of the biosorption of textile dye (Reactive Red 195) onto Pinus sylvestris L

    Energy Technology Data Exchange (ETDEWEB)

    Aksakal, Ozkan [Department of Biology, Faculty of Science, Ataturk University, Erzurum 25240 (Turkey); Ucun, Handan, E-mail: hanucun@yahoo.com [Department of Environmental Engineering, Faculty of Engineering, Bartin University, Bartin 74100 (Turkey)

    2010-09-15

    This study investigated the biosorption of Reactive Red 195 (RR 195), an azo dye, from aqueous solution by using cone biomass of Pinus sylvestris Linneo. To this end, pH, initial dye concentration, biomass dosage and contact time were studied in a batch biosorption system. Maximum pH for efficient RR 195 biosorption was found to be 1.0 and the initial RR 195 concentration increased with decreasing percentage removal. Biosorption capacity increased from 6.69 mg/g at 20 deg. C to 7.38 mg/g at 50 deg. C for 200 mg/L dye concentration. Kinetics of the interactions was tested by pseudo-first-order and pseudo-second-order kinetics, the Elovich equation and intraparticle diffusion mechanism. Pseudo-second-order kinetic model provided a better correlation for the experimental data studied in comparison to the pseudo-first-order kinetic model and intraparticle diffusion mechanism. Moreover, the Elovich equation also showed a good fit to the experimental data. Freundlich and Langmuir adsorption isotherms were used for the mathematical description of the biosorption equilibrium data. The activation energy of biosorption (Ea) was found to be 8.904 kJ/mol by using the Arrhenius equation. Using the thermodynamic equilibrium coefficients obtained at different temperatures, the study also evaluated the thermodynamic constants of biosorption ({Delta}G{sup o}, {Delta}H{sup o} and {Delta}S). The results indicate that cone biomass can be used as an effective and low-cost biosorbent to remove reactive dyes from aqueous solution.

  13. Equilibrium, kinetic and thermodynamic studies of the biosorption of textile dye (Reactive Red 195) onto Pinus sylvestris L.

    Science.gov (United States)

    Aksakal, Ozkan; Ucun, Handan

    2010-09-15

    This study investigated the biosorption of Reactive Red 195 (RR 195), an azo dye, from aqueous solution by using cone biomass of Pinus sylvestris Linneo. To this end, pH, initial dye concentration, biomass dosage and contact time were studied in a batch biosorption system. Maximum pH for efficient RR 195 biosorption was found to be 1.0 and the initial RR 195 concentration increased with decreasing percentage removal. Biosorption capacity increased from 6.69 mg/g at 20 degrees C to 7.38 mg/g at 50 degrees C for 200mg/L dye concentration. Kinetics of the interactions was tested by pseudo-first-order and pseudo-second-order kinetics, the Elovich equation and intraparticle diffusion mechanism. Pseudo-second-order kinetic model provided a better correlation for the experimental data studied in comparison to the pseudo-first-order kinetic model and intraparticle diffusion mechanism. Moreover, the Elovich equation also showed a good fit to the experimental data. Freundlich and Langmuir adsorption isotherms were used for the mathematical description of the biosorption equilibrium data. The activation energy of biosorption (Ea) was found to be 8.904 kJ/mol by using the Arrhenius equation. Using the thermodynamic equilibrium coefficients obtained at different temperatures, the study also evaluated the thermodynamic constants of biosorption (DeltaG(o), DeltaH(o) and DeltaS). The results indicate that cone biomass can be used as an effective and low-cost biosorbent to remove reactive dyes from aqueous solution. Copyright 2010 Elsevier B.V. All rights reserved.

  14. Kinetics and mechanism of permanganate oxidation of iota- and lambda-carrageenan polysaccharides as sulfated carbohydrates in acid perchlorate solutions.

    Science.gov (United States)

    Hassan, Refat M; Fawzy, Ahmed; Ahmed, Gamal A; Zaafarany, Ishaq A; Asghar, Basim H; Takagi, Hideo D; Ikeda, Yasuhisa

    2011-10-18

    The kinetics of oxidation of iota- and lambda-carrageenan as sulfated carbohydrates by permanganate ion in aqueous perchlorate solutions at a constant ionic strength of 2.0 mol dm(-3) have been investigated spectrophotometrically. The pseudo-first-order plots were found to be of inverted S-shape throughout the entire courses of reactions. The initial rates were found to be relatively slow in the early stages, followed by an increase in the oxidation rates over longer time periods. The experimental observations showed first-order dependences in permanganate and fractional first-order kinetics with respect to both carrageenans concentration for both the induction and autoacceleration periods. The results obtained at various hydrogen ion concentrations showed that the oxidation processes in these redox systems are acid-catalyzed throughout the two stages of oxidation reactions. The added salts lead to the prediction that Mn(III) is the reactive species throughout the autoacceleration periods. Kinetic evidence for the formation of 1:1 intermediate complexes was revealed. The kinetic parameters have been evaluated and tentative reaction mechanisms in good agreement with the kinetic results are discussed. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. REMOVAL OF METHYLENE BLUE BY ADSORPTION ONTO RETAMA RAETAM PLANT: KINETICS AND EQUILIBRIUM STUDY

    Directory of Open Access Journals (Sweden)

    Dalila Badis

    2016-12-01

    Full Text Available The feasibility of using medicinal plants species Retama raetam as a low cost and an eco-friendly adsorbent for the adsorption of cationic dye methylene blue from simulated aqueous solution has been investigated. Adsorption kinetics of methylene blue onto Retama raetam plants was studied in a batch system. The effects of pH and contact time were examined. The methylene blue maximum adsorption occurred at pH 8 and the lowest adsorption occurred at pH 2. The apparent equilibrium was reached after 120 min. Optimal experimental conditions were determined. Adsorption modelling parameters for Freundlich and Langmuir isotherms were determined and, based on R2, various error distribution functions were evaluated as well. Adsorption isotherm was best described by non linear Freundlich isotherm model. Thermodynamic studies show that adsorption was spontaneous and exothermic. For determining the best-fit-kinetic adsorption model, the experimental data were analyzed by using pseudo-first-order, pseudo-second-order, pseudo-third-order, Esquivel, and Elovich models. Linear regressive and non-linear regressive method was used to obtain the relative parameters. The statistical functions were estimated to find the suitable method that fit better the experimental data. Both methods were appropriate for obtaining the parameters. The linear pseudo-second-order (type 9 and type 10 models were the best to fit the equilibrium data. The present work showed that plant Retama raetam can be used as a low cost adsorbent for the removal of methylene blue from water.

  16. Improved first-order uncertainty method for water-quality modeling

    Science.gov (United States)

    Melching, C.S.; Anmangandla, S.

    1992-01-01

    Uncertainties are unavoidable in water-quality modeling and subsequent management decisions. Monte Carlo simulation and first-order uncertainty analysis (involving linearization at central values of the uncertain variables) have been frequently used to estimate probability distributions for water-quality model output due to their simplicity. Each method has its drawbacks: Monte Carlo simulation's is mainly computational time; and first-order analysis are mainly questions of accuracy and representativeness, especially for nonlinear systems and extreme conditions. An improved (advanced) first-order method is presented, where the linearization point varies to match the output level whose exceedance probability is sought. The advanced first-order method is tested on the Streeter-Phelps equation to estimate the probability distribution of critical dissolved-oxygen deficit and critical dissolved oxygen using two hypothetical examples from the literature. The advanced first-order method provides a close approximation of the exceedance probability for the Streeter-Phelps model output estimated by Monte Carlo simulation using less computer time - by two orders of magnitude - regardless of the probability distributions assumed for the uncertain model parameters.

  17. Quantum Pseudo-Telepathy

    Science.gov (United States)

    Brassard, Gilles; Broadbent, Anne; Tapp, Alain

    2005-11-01

    Quantum information processing is at the crossroads of physics, mathematics and computer science. It is concerned with that we can and cannot do with quantum information that goes beyond the abilities of classical information processing devices. Communication complexity is an area of classical computer science that aims at quantifying the amount of communication necessary to solve distributed computational problems. Quantum communication complexity uses quantum mechanics to reduce the amount of communication that would be classically required. Pseudo-telepathy is a surprising application of quantum information processing to communication complexity. Thanks to entanglement, perhaps the most nonclassical manifestation of quantum mechanics, two or more quantum players can accomplish a distributed task with no need for communication whatsoever, which would be an impossible feat for classical players. After a detailed overview of the principle and purpose of pseudo-telepathy, we present a survey of recent and no-so-recent work on the subject. In particular, we describe and analyse all the pseudo-telepathy games currently known to the authors.

  18. Kinetics, isothermal and thermodynamics studies of electrocoagulation removal of basic dye rhodamine B from aqueous solution using steel electrodes

    Science.gov (United States)

    Adeogun, Abideen Idowu; Balakrishnan, Ramesh Babu

    2017-07-01

    Electrocoagulation was used for the removal of basic dye rhodamine B from aqueous solution, and the process was carried out in a batch electrochemical cell with steel electrodes in monopolar connection. The effects of some important parameters such as current density, pH, temperature and initial dye concentration, on the process, were investigated. Equilibrium was attained after 10 min at 30 °C. Pseudo-first-order, pseudo-second-order, Elovich and Avrami kinetic models were used to test the experimental data in order to elucidate the kinetic adsorption process; pseudo-first-order and Avrami models best fitted the data. Experimental data were analysed using six model equations: Langmuir, Freudlinch, Redlich-Peterson, Temkin, Dubinin-Radushkevich and Sips isotherms and it was found that the data fitted well with Sips isotherm model. The study showed that the process depends on current density, temperature, pH and initial dye concentration. The calculated thermodynamics parameters (Δ G°, Δ H° and Δ S°) indicated that the process is spontaneous and endothermic in nature.

  19. Windowed phase unwrapping using a first-order dynamic system following iso-phase contours.

    Science.gov (United States)

    Estrada, Julio C; Vargas, Javier; Flores-Moreno, J Mauricio; Quiroga, J Antonio

    2012-11-01

    In this work, we show a windowed phase-unwrapping technique that uses a first-order dynamic system and scans the phase following its iso-phase contours. In previous works, we have shown that low-pass first-order dynamic systems are very robust and useful in phase-unwrapping problems. However, it is well known that all phase-unwrapping methods have a minimum signal-to-noise ratio that they tolerate. This paper shows that scanning the phase within local windows and using a path following strategy, the first-order unwrapping method increases its tolerance to noise. In this way, using the improved approach, we can unwrap phase maps where the basic dynamic phase-unwrapping system fails. Tests and results are given, as well as the source code in order to show the performance of the proposed method.

  20. [Detection of dissolved organic matter based on three-dimensional first-order derivative fluorescence spectrometry].

    Science.gov (United States)

    Du, Shu-Xin; Du, Yang-Feng; Wu, Xiao-Li

    2010-12-01

    Based on three-dimensional first-order derivative fluorescence spectrometry, an analysis method for detecting dissolved organ matter in water is proposed in the present paper. By using simplified least squares differentiation methods presented by Savitzky and Goly, the first-order partial derivatives for emission wavelength and excitation wavelength were calculated. As the fitting polynomial has the smoothing function in the calculation of derivative spectra, a separate smoothing method is not required to remove spectrometry noise. The regression model was calculated by partial least square for 4-dimension fluorescence data including emission wavelength, excitation wavelength and their first-order derivatives. The Experimental results for detecting total organic carbon (TOC) in water show that the proposed method has obvious advantage over the conventional fluorescence spectrometry analysis methods in the aspect of the root mean square error of prediction and correlation coefficient.

  1. The mass transfer approach to multivariate discrete first order stochastic dominance

    DEFF Research Database (Denmark)

    Østerdal, Lars Peter Raahave

    2010-01-01

    of times. This paper provides a new and elementary proof of that result by showing that starting with an arbitrary system of mass transfers, whenever the resulting distribution is first order dominated one can gradually rearrange transfers, according to a certain decentralized procedure, and obtain...... a system of transfers all shifting mass to outcomes that are worse.......A fundamental result in the theory of stochastic dominance tells that first order dominance between two finite multivariate distributions is equivalent to the property that the one can be obtained from the other by shifting probability mass from one outcome to another that is worse a finite number...

  2. Realization of first-order current-mode filters with low number of MOS transistors

    OpenAIRE

    Yuce, Erkan; Minaei, Shahram; Herencsár, Norbert; Koton, Jaroslav

    2013-01-01

    In this paper, a new current-mode (CM) circuit for realizing all of the first-order filter responses is suggested. The proposed configuration contains low number of components, only two NMOS transistors both operating in saturation region, two capacitors and two resistors. Major advantages of the presented circuit are low voltage, low noise and high linearity. The proposed filter circuit can simultaneously provide both inverting and non-inverting first-order low-pass, high-pass and all-pass f...

  3. Multilevel solvers of first-order system least-squares for Stokes equations

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Chen-Yao G. [National Chung Cheng Univ., Chia-Yi (Taiwan, Province of China)

    1996-12-31

    Recently, The use of first-order system least squares principle for the approximate solution of Stokes problems has been extensively studied by Cai, Manteuffel, and McCormick. In this paper, we study multilevel solvers of first-order system least-squares method for the generalized Stokes equations based on the velocity-vorticity-pressure formulation in three dimensions. The least-squares functionals is defined to be the sum of the L{sup 2}-norms of the residuals, which is weighted appropriately by the Reynolds number. We develop convergence analysis for additive and multiplicative multilevel methods applied to the resulting discrete equations.

  4. Closed-Form Equation of Data Dependent Jitter in First Order Low Pass System

    Directory of Open Access Journals (Sweden)

    Sangjin Byun

    2014-01-01

    Full Text Available This paper presents a closed-form equation of data dependent jitter (DDJ in first order low pass systems. The DDJ relates to the system bandwidth, the bit rate, the input rise/fall time, and the number of maximum consecutive identical bits of the data pattern. To confirm the derived equation, simulations have been done with a first order RC low pass circuit for various system bandwidths, bit rates, input rise/fall times, and data patterns. The simulation results agree well with the calculated DDJ values by the derived equation.

  5. Equilibrium and Kinetic Studies on the Adsorption of Acid Yellow 36 Dye by Pinecone

    Directory of Open Access Journals (Sweden)

    Amir Sheikh Mohammadi

    2013-11-01

    Full Text Available Background & Aims of the Study: Dyes have significant role in environmental problems, due to their toxic effects on the food chain and sources of water. The purpose of this research was to study the adsorption of acid yellow 36 dye onto pinecone using batch system. Materials & Methods: This research was performed at laboratory scale and batch system. Equilibrium isotherms were modeled using Langmuir, Freundlich, and D-R models. Also kinetic studies were done by three models of pseudo first order, pseudo second order, and intra-particle diffusion. Results: The maximum adsorption was achieved at pH 5.0, adsorbent dose 0.7 g/l and contact time 20 min. The equilibrium adsorption capacity (mg/g increased with increasing initial dye concentration. The Langmuir model (R2=0.99 provided the best fit for the experimental data. The adsorption kinetics were studied and best fit was achieved by pseudo- second order model (R2= 0.96. Conclusions: According to the results obtained of equilibrium and kinetic studies on the adsorption of acid yellow 36, pinecone can be a suitable and efficient adsorbent in the removal of yellow acid 36 dye from industrial wastewater.

  6. Interaction of silver nanoparticles (SNPs) with bacterial extracellular proteins (ECPs) and its adsorption isotherms and kinetics.

    Science.gov (United States)

    Khan, S Sudheer; Srivatsan, P; Vaishnavi, N; Mukherjee, Amitava; Chandrasekaran, N

    2011-08-15

    Indiscriminate and increased use of silver nanoparticles (SNPs) in consumer products leads to the release of it into the environment. The fate and transport of SNPs in environment remains unknown. We have studied the interaction of SNPs with extracellular protein (ECP) produced by two environmental bacterial species and the adsorption behavior in aqueous solutions. The effect of pH and salt concentrations on the adsorption was also investigated. The adsorption process was found to be dependent on surface charge (zeta potential). The capping of SNPs by ECP was confirmed by Fourier transform infrared spectroscopy and X-ray diffraction. The adsorption of ECP on SNPs was analyzed by Langmuir and Freundlich models, suggesting that the equilibrium adsorption data fitted well with Freundlich model. The equilibrium adsorption data were modeled using the pseudo-first-order and pseudo-second-order kinetic equations. The results indicated that pseudo-second-order kinetic equation would better describe the adsorption kinetics. The capping was stable at environmental pH and salt concentration. The destabilization of nanoparticles was observed at alkaline pH. The study suggests that the stabilization of nanoparticles in the environment might lead to the accumulation and transport of nanomaterials in the environment, and ultimately destabilizes the functioning of the ecosystem. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Kinetics of adsorption of bovine serum albumin on magnetic carboxymethyl chitosan nanoparticles.

    Science.gov (United States)

    Wang, Zhouli; Yue, Tianli; Yuan, Yahong; Cai, Rui; Niu, Chen; Guo, Caixia

    2013-07-01

    The magnetic carboxymethyl chitosan nanoparticles (MNPs-CMC) were developed as effective magnetic affinity adsorbent for Bovine serum albumin and the adsorption reactions were investigated. The obtained experimental data were compared with the adsorption kinetics models and equilibrium isotherms. The experimental kinetic data were modeled using Pseudo-first order, Pseudo-second order, Bangham's equation, Intra-particle diffusion model and Elovich equations. It was found that the adsorption reactions followed the Pseudo-second order kinetics equation. The experimental isotherm data were analyzed using Langmuir, Freundlich, Dubinin-Radushkevich and Temkin equations. By comparing the correlation coefficients determined for each linear transformation of isotherm analysis, it was found that the Langmuir equation was the best fit equilibrium model for the adsorption of BSA. Error functions have been used to determine the alternative single component parameters by nonlinear regression due to the inherent bias in using the correlation coefficient resulting from linearization. It showed that the Langmuir equation resulted in the lowest values for the error function and thus fitted the data better than the other isotherm. Various thermodynamic parameters such as enthalpy (ΔH°), entropy (ΔS°) and Gibbs free energy (ΔG°) were evaluated. MNPs-CMC nanoaprticles were shown to be a promising material for adsorption of BSA from aqueous solutions. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  8. Kinetic and thermodynamic studies of Hg(II) adsorption onto MCM-41 modified by ZnCl2

    Science.gov (United States)

    Raji, Foad; Pakizeh, Majid

    2014-05-01

    Kinetics and thermodynamics of mercury ions sorption onto ZnCl2-MCM-41 sorbent were studied. Several rate models in the form of two main classes of mathematic kinetic models (adsorption reaction models and adsorption diffusion models) were investigated. Pseudo-first-order, pseudo-second-order, Elovich, film and intraparticle diffusion models were used to analyze the kinetic data. Results showed that the pseudo-second order model can well describe the adsorption kinetic data. The thermodynamic parameters, such as Gibb's free energy change (ΔG°), standard enthalpy change (ΔH°) and standard entropy change (ΔS°) were also evaluated. Negative value of free energy at temperature range of 20-55 °C, indicates the spontaneous nature of Hg(II) sorption by ZnCl2-MCM-41 sorbent. The adsorption capacity which was found to decrease with temperature showed the exothermic nature of the mercury sorption process (ΔH° = -49.4 kJ mol-1). The negative ΔS° value (-148.9 J mol-1 K-1) revealed a decrease in the randomness at the solid/solution interface and also indicated the fast adsorption of the Hg(II) onto active sites.

  9. Analysis of first order reversal curves in the thermal hysteresis of spin-crossover nanoparticles within the mechanoelastic model

    Science.gov (United States)

    Stoleriu, Laurentiu; Stancu, Alexandru; Chakraborty, Pradip; Hauser, Andreas; Enachescu, Cristian

    2015-05-01

    The recently obtained spin-crossover nanoparticles are possible candidates for applications in the recording media industry as materials for data storage, or as pressure and temperature sensors. For these applications, the intermolecular interactions and interactions between spin-crossover nanoparticles are extremely important, as they may be essential factors in triggering the transition between the two stable phases: the high-spin and low-spin ones. In order to find correlations between the distributions in size and interactions and the transition temperatures distribution, we apply the FORC (First Order Reversal Curves) method, using simulations based on a mechanoelastic model applied to 2D triangular lattices composed of molecules linked by springs and embedded in a surfactant. We consider two Gaussian distributions: one is the size of the nanoparticles and another is the elastic interactions between edge spin-crossover molecules and the surfactant molecules. In order to disentangle the kinetic and non-kinetic parts of the FORC distributions, we compare the results obtained for different temperature sweeping rates. We also show that the presence of few larger particles in a distribution centered around much smaller particles dramatically increases the hysteresis width.

  10. Semi-aerobic stabilized landfill leachate treatment by ion exchange resin: isotherm and kinetic study

    Science.gov (United States)

    Zamri, Mohd Faiz Muaz Ahmad; Kamaruddin, Mohamad Anuar; Yusoff, Mohd Suffian; Aziz, Hamidi Abdul; Foo, Keng Yuen

    2017-05-01

    This study was carried out to investigate the treatability of ion exchange resin (Indion MB 6 SR) for the removal of chromium (VI), aluminium (III), zinc (II), copper (II), iron (II), and phosphate (PO4)3-, chemical oxygen demand (COD), ammonia nitrogen (NH3-N) and colour from semi-aerobic stabilized leachate by batch test. A range of ion exchange resin dosage was tested towards the removal efficiency of leachate parameters. It was observed that equilibrium data were best represented by the Langmuir model for metal ions and Freundlich was ideally fit for COD, NH3-N and colour. Intra particle diffusion model, pseudo first-order and pseudo second-order isotherm models were found ideally fit with correlation of the experimental data. The findings revealed that the models could describe the ion exchange kinetic behaviour efficiently, which further suggests comprehensive outlook for the future research in this field.

  11. Kinetic Study of Nitrate Removal from Aqueous Solutions Using Copper-Coated Iron Nanoparticles.

    Science.gov (United States)

    Vilardi, Giorgio; Di Palma, Luca

    2017-03-01

    Nitrates are considered hazard compounds for human health due to their tendency to be reduced to nitrites, in particular in reducing environment. Nano zero valent iron (nZVI) represents an efficient and low-cost adsorbent/reductive agent for nitrate removal from groundwater and wastewaters and a little addition of a second metal species (Cu, Pd, Ni, Ag) has proven to increase process effectiveness, by enhancing stability and oxidation resistance of nanoparticles. In this work Cu/Fe nanoparticles were loaded in a NO3- solution (100 mg L-1) and the removal efficiency was tested by monitoring nitrate concentration at selected time intervals. Results showed that the nitrate removal process involves both reduction and adsorption processes: the removal mechanism has been investigated, and the pseudo-first-order and pseudo-second-order-adsorption kinetic models were successfully tested.

  12. Kinetics of adsorption of dyes from aqueous solution using activated carbon prepared from waste apricot

    Energy Technology Data Exchange (ETDEWEB)

    Onal, Yunus [Inonu University, Faculty of Engineering, Department of Chemical Engineering, 44280 Malatya (Turkey)]. E-mail: yonal@inonu.edu.tr

    2006-10-11

    Adsorbent (WA11Zn5) has been prepared from waste apricot by chemical activation with ZnCl{sub 2}. Pore properties of the activated carbon such as BET surface area, pore volume, pore size distribution, and pore diameter were characterized by N{sub 2} adsorption and DFT plus software. Adsorption of three dyes, namely, Methylene Blue (MB), Malachite Green (MG), Crystal Violet (CV), onto activated carbon in aqueous solution was studied in a batch system with respect to contact time, temperature. The kinetics of adsorption of MB, MG and CV have been discussed using six kinetic models, i.e., the pseudo-first-order model, the pseudo-second-order model, the Elovich equation, the intraparticle diffusion model, the Bangham equation, the modified Freundlich equation. Kinetic parameters and correlation coefficients were determined. It was shown that the second-order kinetic equation could describe the adsorption kinetics for three dyes. The dyes uptake process was found to be controlled by external mass transfer at earlier stages (before 5 min) and by intraparticle diffusion at later stages (after 5 min). Thermodynamic parameters, such as {delta}G, {delta}H and {delta}S, have been calculated by using the thermodynamic equilibrium coefficient obtained at different temperatures and concentrations. The thermodynamics of dyes-WA11Zn5 system indicates endothermic process.

  13. Modeling the Monthly Water Balance of a First Order Coastal Forested Watershed

    Science.gov (United States)

    S. V. Harder; Devendra M. Amatya; T. J. Callahan; Carl C. Trettin

    2006-01-01

    A study has been conducted to evaluate a spreadsheet-based conceptual Thornthwaite monthly water balance model and the process-based DRAINMOD model for their reliability in predicting monthly water budgets of a poorly drained, first order forested watershed at the Santee Experimental Forest located along the Lower Coastal Plain of South Carolina. Measured precipitation...

  14. On Löwenheim-Skolem-Tarski numbers for extensions of first order logic

    NARCIS (Netherlands)

    Magidor, M.; Väänänen, J.

    2011-01-01

    We show that, assuming the consistency of a supercompact cardinal, the first (weakly) inaccessible cardinal can satisfy a strong form of a Löwenheim-Skolem-Tarski theorem for the equicardinality logic L(I), a logic introduced in [5] strictly between first order logic and second order logic. On the

  15. Finite nuclear fragmenting systems:. An experimental evidence of a first order liquid gas phase transition

    Science.gov (United States)

    D'Agostino, M.; Gulminelli, F.; Chomaz, Ph.; Bruno, M.; Cannata, F.; Le Neindre, N.; Bougault, R.; Fiandri, M. L.; Fuschini, E.; Gramegna, F.; Iori, I.; Margagliotti, G. V.; Moroni, A.; Vannini, G.; Verondini, E.

    2001-11-01

    An experimental observation of negative heat capacity is inferred from the event by event study of partial energy fluctuations in Quasi-Projectile sources, formed in Au + Au peripheral collisions at 35 A.MeV. Between about 2.5 and 5 A.MeV excitation energy, the system undergoes a first order phase transition.

  16. Novel Resistorless First-Order Current-Mode Universal Filter Employing a Grounded Capacitor

    Directory of Open Access Journals (Sweden)

    R. Arslanalp

    2011-09-01

    Full Text Available In this paper, a new bipolar junction transistor (BJT based configuration for providing first-order resistorless current-mode (CM all-pass, low-pass and high-pass filter responses from the same configuration is suggested. The proposed circuit called as a first-order universal filter possesses some important advantages such as consisting of a few BJTs and a grounded capacitor, consuming very low power and having electronic tunability property of its pole frequency. Additionally, types of filter response can be obtained only by changing the values of current sources. The suggested circuit does not suffer from disadvantages of use of the resistors in IC process. The presented first-order universal filter topology does not need any passive element matching constraints. Moreover, as an application example, a second-order band-pass filter is obtained by cascading two proposed filter structures which are operating as low-pass filter and high-pass one. Simulations by means of PSpice program are accomplished to demonstrate the performance and effectiveness of the developed first-order universal filter.

  17. First Order Linear Homogeneous Fuzzy Ordinary Differential Equation Based on Lagrange Multiplier Method

    Directory of Open Access Journals (Sweden)

    Sankar Prasad Mondal

    2013-11-01

    Full Text Available In this paper the First Order Linear Fuzzy Ordinary Differential Equations are described. Here coefficients and /or initial condition of said differential equation are taken as the Generalized Triangular Fuzzy Numbers (GTFNs.The solution procedure of this Fuzzy Differential Equation is developed by Lagrange Multiplier Method. An imprecise barometric pressure problem is described.

  18. Back-and-forth systems for fuzzy first-order models

    Czech Academy of Sciences Publication Activity Database

    Dellunde, P.; García-Cerdaña, A.; Noguera, Carles

    (2018) ISSN 0165-0114 R&D Projects: GA ČR(CZ) GF15-34650L Institutional support: RVO:67985556 Keywords : Mathematical fuzzy logic * first-order fuzzy logics * non-classical logics Subject RIV: BA - General Mathematics Impact factor: 2.718, year: 2016 http:// library .utia.cas.cz/separaty/2018/MTR/noguera-0486421.pdf

  19. Advancing investigation and physical modeling of first-order fire effects on soils

    Science.gov (United States)

    William J. Massman; John M. Frank; Sacha J. Mooney

    2010-01-01

    Heating soil during intense wildland fires or slash-pile burns can alter the soil irreversibly, resulting in many significant long-term biological, chemical, physical, and hydrological effects. To better understand these long-term effects, it is necessary to improve modeling capability and prediction of the more immediate, or first-order, effects that fire can have on...

  20. Shear banding of colloidal glasses: Observation of a dynamic first order transition

    NARCIS (Netherlands)

    Chikkadi, V.; Miedema, D.M.; Dang, M.T.; Nienhuis, B.; Schall, P.

    2014-01-01

    We demonstrate that application of an increasing shear field on a glass leads to an intriguing dynamic first-order transition in analogy with equilibrium transitions. By following the particle dynamics as a function of the driving field in a colloidal glass, we identify a critical shear rate upon

  1. Determination of astaxanthin in Haematococcus pluvialis by first-order derivative spectrophotometry.

    Science.gov (United States)

    Liu, Xiao Juan; Juan, Liu Xiao; Wu, Ying Hua; Hua, Wu Ying; Zhao, Li Chao; Chao, Zhao Li; Xiao, Su Yao; Yao, Xiao Su; Zhou, Ai Mei; Mei, Zhou Ai; Liu, Xin; Xin, Liu

    2011-01-01

    A highly selective, convenient, and precise method, first-order derivative spectrophotometry, was applied for the determination of astaxanthin in Haematococcus pluvialis. Ethyl acetate and ethanol (1:1, v/v) were found to be the best extraction solvent tested due to their high efficiency and low toxicity compared with nine other organic solvents. Astaxanthin coexisting with chlorophyll and beta-carotene was analyzed by first-order derivative spectrophotometry in order to optimize the conditions for the determination of astaxanthin. The results show that when detected at 432 nm, the interfering substances could be eliminated. The dynamic linear range was 2.0-8.0 microg/mL, with a correlation coefficient of 0.9916. The detection threshold was 0.41 microg/mL. The RSD for the determination of astaxanthin was in the range of 0.01-0.06%; the results of recovery test were 98.1-108.0%. The statistical analysis between first-order derivative spectrophotometry and HPLC by T-testing did not exceed their critical values, revealing no significant differences between these two methods. It was proved that first-order derivative spectrophotometry is a rapid and convenient method for the determination of astaxanthin in H. pluvialis that can eliminate the negative effect resulting from the coexistence of astaxanthin with chlorophyll and beta-carotene.

  2. Bifurcation from infinity and multiple solutions for first-order periodic boundary-value problems

    Directory of Open Access Journals (Sweden)

    Zhenyan Wang

    2011-10-01

    Full Text Available In this article, we study the existence and multiplicity of solutions for the first-order periodic boundary-value problem $$displaylines{ u'(t-a(tu(t=lambda u(t+g(u(t-h(t, quad tin (0, T,cr u(0=u(T. }$$

  3. On the parameter estimation of first order IMA model corrupted with AR

    African Journals Online (AJOL)

    On the parameter estimation of first order IMA model corrupted with AR (1) errors. D Eni, S A Mahmud. Abstract. No Abstract. Global Journal of Pure and Applied Physics Vol. 14 (1) 2008 pp. 115-120. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT.

  4. Student Interpretations of the Terms in First-Order Ordinary Differential Equations in Modelling Contexts

    Science.gov (United States)

    Rowland, David R.; Jovanoski, Zlatko

    2004-01-01

    A study of first-year undergraduate students' interpretational difficulties with first-order ordinary differential equations (ODEs) in modelling contexts was conducted using a diagnostic quiz, exam questions and follow-up interviews. These investigations indicate that when thinking about such ODEs, many students muddle thinking about the function…

  5. On solving large-scale polynomial convex problems by randomized first order algorithms

    NARCIS (Netherlands)

    Ben-Tal, A.; Nemirovski, A.

    2015-01-01

    One of the most attractive recent approaches to processing well-structured large-scale convex optimization problems is based on smooth convex-concave saddle point reformulation of the problem of interest and solving the resulting problem by a fast first order saddle point method utilizing smoothness

  6. First-order fire effects models for land Management: Overview and issues

    Science.gov (United States)

    Elizabeth D. Reinhardt; Matthew B. Dickinson

    2010-01-01

    We give an overview of the science application process at work in supporting fire management. First-order fire effects models, such as those discussed in accompanying papers, are the building blocks of software systems designed for application to landscapes over time scales from days to centuries. Fire effects may be modeled using empirical, rule based, or process...

  7. Temporal Frequency Modulates Reaction Time Responses to First-Order and Second-Order Motion

    Science.gov (United States)

    Hutchinson, Claire V.; Ledgeway, Tim

    2010-01-01

    This study investigated the effect of temporal frequency and modulation depth on reaction times for discriminating the direction of first-order (luminance-defined) and second-order (contrast-defined) motion, equated for visibility using equal multiples of direction-discrimination threshold. Results showed that reaction times were heavily…

  8. The first-order Euler-Lagrange equations and some of their uses

    Energy Technology Data Exchange (ETDEWEB)

    Adam, C.; Santamaria, F. [Departamento de Física de Partículas and Instituto Galego de Física de Altas Enerxias (IGFAE),Campus Vida, E-15782 Santiago de Compostela (Spain)

    2016-12-13

    In many nonlinear field theories, relevant solutions may be found by reducing the order of the original Euler-Lagrange equations, e.g., to first order equations (Bogomolnyi equations, self-duality equations, etc.). Here we generalise, further develop and apply one particular method for the order reduction of nonlinear field equations which, despite its systematic and versatile character, is not widely known.

  9. Explicit solutions of one-dimensional, first-order, stationary mean-field games with congestion

    KAUST Repository

    Gomes, Diogo A.

    2017-01-05

    Here, we consider one-dimensional first-order stationary mean-field games with congestion. These games arise when crowds face difficulty moving in high-density regions. We look at both monotone decreasing and increasing interactions and construct explicit solutions using the current formulation. We observe new phenomena such as discontinuities, unhappiness traps and the non-existence of solutions.

  10. Satisfiability Solving and Model Generation for Quantified First-Order Logic Formulas

    Science.gov (United States)

    Gladisch, Christoph D.

    The generation of models, i.e. interpretations, that satisfy first-order logic (FOL) formulas is an important problem in different application domains, such as, e.g., formal software verification, testing, and artificial intelligence. Satisfiability modulo theory (SMT) solvers are the state-of-the-art techniques for handling this problem. A major bottleneck is, however, the handling of quantified formulas.

  11. A Simple Method for Estimation of Parameters in First order Systems

    DEFF Research Database (Denmark)

    Niemann, Hans Henrik; Miklos, Robert

    2014-01-01

    A simple method for estimation of parameters in first order systems with time delays is presented in this paper. The parameter estimation approach is based on a step response for the open loop system. It is shown that the estimation method does not require a complete step response, only a part of...

  12. Poverty Mapping Based on First-Order Dominance with an Example from Mozambique

    DEFF Research Database (Denmark)

    Arndt, Channing; Hussain, Azhar; Salvucci, Vincenzo

    2016-01-01

    We explore a novel first-order dominance (FOD) approach to poverty mapping and compare its properties to small-area estimation. The FOD approach uses census data directly, is straightforward to implement, is multidimensional allowing for a broad conception of welfare and accounts rigorously for w...

  13. The logic of propagation strategies : Axiomatizing a fragment of organizational ecology in first-order logic

    NARCIS (Netherlands)

    Peli, G; Masuch, M

    1997-01-01

    As a part of a larger effort to apply formal logic to organization science, we axiomatize the theory of propagation strategies (life history strategies) of Organization Ecology. We provide an axiomatic system in first-order logic that derives the theory's predictions as theorems from a set of

  14. First-Order Logic Investigation of Relativity Theory with an Emphasis on Accelerated Observers

    CERN Document Server

    Székely, Gergely

    2010-01-01

    This thesis is mainly about extensions of the first-order logic axiomatization of special relativity introduced by Andr\\'eka, Madar\\'asz and N\\'emeti. These extensions include extension to accelerated observers, relativistic dynamics and general relativity; however, its main subject is the extension to accelerated observers (AccRel). One surprising result is that natural extension to accelerated observers is not enough if we want our theory to imply certain experimental facts, such as the twin paradox. Even if we add the whole first-order theory of real numbers to this natural extension, it is still not enough to imply the twin paradox. Nevertheless, that does not mean that this task cannot be carried out within first-order logic since by approximating a second-order logic axiom of real numbers, we introduce a first-order axiom schema that solves the problem. Our theory AccRel nicely fills the gap between special and general relativity theories, and only one natural generalization step is needed to achieve a ...

  15. A Lennard-Jones-like perspective on first order transitions in biological helices

    DEFF Research Database (Denmark)

    Oskolkov, Nikolay N.; Bohr, Jakob

    2013-01-01

    Helical structures with Lennard-Jones self-interactions are studied for optimal conformations. For this purpose, their self-energy is analyzed for extrema with respect to the geometric parameters of the helices. It is found that Lennard-Jones helices exhibit a first order phase transition from a ...

  16. Probabilistic modelling of combined sewer overflow using the First Order Reliability Method

    DEFF Research Database (Denmark)

    Thorndahl, Søren; Schaarup-Jensen, Kjeld; Jensen, Jacob Birk

    2007-01-01

    uncertainties on an application of the commercial urban drainage model MOUSE combined with the probabilistic First Order Reliability Method (FORM). Applying statistical characteristics on several years of rainfall, it is possible to derive a parameterization of the rainfall input and the failure probability...

  17. Probabilistic Modelling of Combined Sewer Overflow Using the First Order Reliability Method

    DEFF Research Database (Denmark)

    Thorndahl, Søren; Schaarup-Jensen, Kjeld; Jensen, Jacob Birk

    2008-01-01

    uncertainties on an application of the commercial urban drainage model MOUSE combined with the probabilistic First Order Reliability Method (FORM). Applying statistical characteristics on several years of rainfall, it is possible to derive a parameterization of the rainfall input and the failure probability...

  18. First-order correction terms in the weak-field asymptotic theory of tunneling ionization

    DEFF Research Database (Denmark)

    Trinh, Vinh H.; Tolstikhin, Oleg I.; Madsen, Lars Bojer

    2013-01-01

    The weak-field asymptotic theory (WFAT) of tunneling ionization in a static electric field is developed to the next order in field. The first-order corrections to the ionization rate and transverse momentum distribution of the ionized electrons are derived. This extends the region of applicability...

  19. Imaging of first-order surface-related multiples by reverse-time migration

    Science.gov (United States)

    Liu, Xuejian; Liu, Yike; Hu, Hao; Li, Peng; Khan, Majid

    2017-02-01

    Surface-related multiples have been utilized in the reverse-time migration (RTM) procedures, and additional illumination for subsurface can be provided. Meanwhile, many cross-talks are generated from undesired interactions between forward- and backward-propagated seismic waves. In this paper, subsequent to analysing and categorizing these cross-talks, we propose RTM of first-order multiples to avoid most undesired interactions in RTM of all-order multiples, where only primaries are forward-propagated and crosscorrelated with the backward-propagated first-order multiples. With primaries and multiples separated during regular seismic data processing as the input data, first-order multiples can be obtained by a two-step scheme: (1) the dual-prediction of higher-order multiples; and (2) the adaptive subtraction of predicted higher-order multiples from all-order multiples within local offset-time windows. In numerical experiments, two synthetic and a marine field data sets are used, where different cross-talks generated by RTM of all-order multiples can be identified and the proposed RTM of first-order multiples can provide a very interpretable image with a few cross-talks.

  20. Algorithms and software for total variation image reconstruction via first-order methods

    DEFF Research Database (Denmark)

    Dahl, Joahim; Hansen, Per Christian; Jensen, Søren Holdt

    2010-01-01

    This paper describes new algorithms and related software for total variation (TV) image reconstruction, more specifically: denoising, inpainting, and deblurring. The algorithms are based on one of Nesterov's first-order methods, tailored to the image processing applications in such a way that...

  1. Using of "pseudo-second-order model" in adsorption.

    Science.gov (United States)

    Ho, Yuh-Shan

    2014-01-01

    A research paper's contribution exists not only in its originality and creativity but also in its continuity and development for research that follows. However, the author easily ignores it. Citation error and quotation error occurred very frequently in a scientific paper. Numerous researchers use secondary references without knowing the original idea from authors. Sulaymon et al. (Environ Sci Pollut Res 20:3011-3023, 2013) and Spiridon et al. (Environ Sci Pollut Res 20:6367-6381, 2013) presented wrong pseudo-second-order models in Environmental Science and Pollution Research, vol. 20. This comment pointed the errors of the kinetic models and offered information for citing original idea of pseudo-second-order kinetic expression. In order to stop the proliferation of the mistake, it is suggested to cite the original paper for the kinetic model which provided greater accuracy and more details about the kinetic expression.

  2. Sorption of basic dyes onto granulated pillared clays: thermodynamic and kinetic studies.

    Science.gov (United States)

    Cheknane, B; Zermane, F; Baudu, M; Bouras, O; Basly, J P

    2012-09-01

    Effect of the granulation process onto the thermodynamic and kinetic sorption parameters of two basic dyes (Basic Yellow 28-BY 28 and Basic Green 4-BG 4) was evaluated in the present work. The charge surface properties of the surfactant-modified aluminium-pillared clay (CTAB-Al-Mont-PILC) particles were not modified, and the isoelectric point remains constant after high shear wet granulation. The Gibbs free energy of both BY 28 and BG 4 sorption was negative and decreased with the granulation; the endothermic nature of the sorption process was confirmed by the positive values of ΔH°. Adsorption kinetics of the two dyes, studied at pH 6 and 150 mg L(-1), follow the pseudo-first order kinetic model with observed rate constants of 2.5-4.2×10(-2) min(-1). The intraparticle diffusion model, proposed by Weber and Morris, was applied, and the intraparticle plots revealed three distinct sections representing external mass transfer, intraparticle diffusion and adsorption/desorption equilibrium. Diffusion coefficients, calculated from the Boyd kinetic equation, increased with the granulation and the particle size. Pseudo-first order kinetic constants, intraparticle diffusion rate constants and diffusion coefficients were determined for two other initial concentrations (50 and 100 mg L(-1)) and include in a statistical study to evaluate the impact of granulation and initial concentration on the kinetic parameters. Kruskal-Wallis tests, Spearman's rank order correlation and factor analysis revealed a correlation between (i) the diffusion coefficients and granulation, and between (ii) the intraparticle diffusion rate constants and initial concentration. Copyright © 2012 Elsevier Inc. All rights reserved.

  3. Exit from inflation with a first-order phase transition and a gravitational wave blast

    Directory of Open Access Journals (Sweden)

    Amjad Ashoorioon

    2015-07-01

    Full Text Available In double-field inflation, which exploits two scalar fields, one of the fields rolls slowly during inflation whereas the other field is trapped in a meta-stable vacuum. The nucleation rate from the false vacuum to the true one becomes substantial enough that triggers a first order phase transition and ends inflation. We revisit the question of first order phase transition in an “extended” model of hybrid inflation, realizing the double-field inflationary scenario, and correctly identify the parameter space that leads to a first order phase transition at the end of inflation. We compute the gravitational wave profile which is generated during this first order phase transition. Assuming instant reheating, the peak frequency falls in the 1 GHz to 10 GHz frequency band and the amplitude varies in the range 10−11≲ΩGWh2≲10−8, depending on the value of the cosmological constant in the false vacuum. For a narrow band of vacuum energies, the first order phase transition can happen after the end of inflation via the violation of slow-roll, with a peak frequency that varies from 1 THz to 100 THz. For smaller values of cosmological constant, even though inflation can end via slow-roll violation, the universe gets trapped in a false vacuum whose energy drives a second phase of eternal inflation. This range of vacuum energies do not lead to viable inflationary models, unless the value of the cosmological constant is compatible with the observed value, M∼10−3 eV.

  4. Numerical solution of first order initial value problem using quartic spline method

    Science.gov (United States)

    Ala'yed, Osama; Ying, Teh Yuan; Saaban, Azizan

    2015-12-01

    Any first order initial value problem can be integrated numerically by discretizing the interval of integration into a number of subintervals, either with equally distributed grid points or non-equally distributed grid points. Hence, as the integration advances, the numerical solutions at the grid points are calculated and being known. However, the numerical solutions between the grid points remain unknown. This will form difficulty to individuals who wish to study a particular solution which may not fall on the grid points. Therefore, some sorts of interpolation techniques are needed to deal with such difficulty. Spline interpolation technique remains as a well known approach to approximate the numerical solution of a first order initial value problem, not only at the grid points but also everywhere between the grid points. In this short article, a new quartic spline method has been derived to obtain the numerical solution for first order initial value problem. The key idea of the derivation is to treat the third derivative of the quartic spline function to be a linear polynomial, and obtain the quartic spline function with undetermined coefficients after three integrations. The new quartic spline function is ready to be used when all unknown coefficients are found. We also described an algorithm for the new quartic spline method when used to obtain the numerical solution of any first order initial value problem. Two test problems have been used for numerical experimentations purposes. Numerical results seem to indicate that the new quartic spline method is reliable in solving first order initial value problem. We have compared the numerical results generated by the new quartic spline method with those obtained from an existing spline method. Both methods are found to have comparable accuracy.

  5. Kinetic studies on the adsorption of methylene blue onto vegetal fiber activated carbons

    Science.gov (United States)

    Cherifi, Hakima; Fatiha, Bentahar; Salah, Hanini

    2013-10-01

    The vegetable sponge of cylindrical loofa (CL), a natural product which grows in the north of Algeria, was used to prepare activated carbons. Two activated carbons, AC1 and AC2, by two physiochemical activation methods to be used for methylene blue removal from wastewater. The surface structure of AC1, AC2 and CL were analyzed by scanning electron microscopy. Adsorption isotherm of methylene blue onto the prepared activated carbons was determined by batch tests. The effects of various parameters such as contact time, initial concentration, pH, temperature, adsorbent dose and granulometry were investigated, at agitation rate 150 rpm. The results showed that the equilibrium uptake increased with increasing initial MB concentration. The maximum % removal of MB obtained was 99% at 50 °C for AC1 and 82% at 30 °C for AC2. The increase in initial pH in the ranges of 2-10 increases the yields removal of MB on AC2. The pseudo-first-order and pseudo-second-order kinetic models were applied to test the experimental data. The latter provided the best correlation of the experimental data compared to the pseudo-first-order model.

  6. Removal of Hexavalent Chromium from Aqueous Solution by Using Adsorption onto Commerical Iron Powder; Study of Equilibrium and Kinetics

    Directory of Open Access Journals (Sweden)

    A.R. Rahmani

    2011-10-01

    Full Text Available Introduction & Objective: Industrial wastewaters including heavy metals, are one of the important sources of environmental pollution. Heavy metals such as chromium is found in plating wastewater and is harmful for human health and environment. The purpose of the present study was to investigate adsorption of hexavalent chromium Cr (VI from aqueous solution onto commerical Iron powder as an effective, faster ,and cheaper adsorbent. Materials & Methods: This research was an experimental- lablatory study done in batch system. This study investigated the removal of hexavalent chromium by using commerical Iron powder with variation pH, contact time, Iron powder dose and initial hexavalent chromium concentration in batch system , and the result was analyzed by Excel software.Results: The results showed that the removal efficiency decreased with increasing pH and initial chromium concentration. Also the results showed that the removal efficiency increased with increasing Iron powder dose and contact time. With increasing adsorbent dose from 0.1g/100cc to 1.5 g/100cc, the removal efficiency increased from 47.5% to 92.5 % in constant conditions (pH=7, initial hexavalent chromium concentration = 20 mg/L . Also removal efficiency increased from 41.1% to 48.5% with increasing contact time from 2 min to 120 min in constant conditions (pH=7, Iron powder= 0.1g/100cc, initial hexavalent chromium concentration= 20 mg/L. Experimental isotherms and kinetics models were assessed by Langmuir and Freundlich isotherms and pseudo-first-order, pseudo-second-order kinetics and modifed pseudo-first-order models. The results showed that the data were acceptably explained by Langmuir isotherms and pseudo-second-order kinetics models, respectively. Conclusion: The results showed that the removal of hexavalent chromium from aqueous solution using sawdust can be done faster and cheaper. (Sci J Hamadan Univ Med Sci 2011;18(3:33-39

  7. ZnS:Cu nanoparticles loaded on activated carbon as novel adsorbent for kinetic, thermodynamic and isotherm studies of Reactive Orange 12 and Direct yellow 12 adsorption

    Science.gov (United States)

    Ghaedi, Mehrorang; Ansari, Amin; Sahraei, Reza

    2013-10-01

    The objective of this work is the study of adsorption of Reactive Orange 12 (RO-12) and Direct yellow 12 (DY 12) by zinc sulfide:copper (ZnS-Cu-NP-AC) nanoparticles loaded on activated carbon. This new material with high efficiency in a routine manner was synthesized in our laboratory and its surface properties viz surface area, pore volume and functional groups was characterized with different techniques such FT-IR, SEM, and BET analysis. Generally, in batch adsorption procedure variables including amount of adsorbent, initial dyes concentration, contact time, temperature on dyes removal percentage has great effect on removal percentage that their influence was optimized. The kinetic of proposed adsorption processes efficiently followed, pseudo-second-order, and intra-particle diffusion kinetic models. The equilibrium data the removal strongly follow Langmuir monolayer adsorption with high adsorption capacity in short time. This novel adsorbent by small amount (0.08 g) really is applicable for removal of high amount of both dyes (RO 12 and DY 12) in short time (model such as pseudo-first-order, pseudo-second-order, Elovich and intra-particle diffusion was assessed and it was found that the removal processes follow pseudo second order kinetics and interparticle diffusion mechanism.

  8. PSEUDO-CODEWORD LANDSCAPE

    Energy Technology Data Exchange (ETDEWEB)

    CHERTKOV, MICHAEL [Los Alamos National Laboratory; STEPANOV, MIKHAIL [Los Alamos National Laboratory

    2007-01-10

    The authors discuss performance of Low-Density-Parity-Check (LDPC) codes decoded by Linear Programming (LP) decoding at moderate and large Signal-to-Noise-Ratios (SNR). Frame-Error-Rate (FER) dependence on SNR and the noise space landscape of the coding/decoding scheme are analyzed by a combination of the previously introduced instanton/pseudo-codeword-search method and a new 'dendro' trick. To reduce complexity of the LP decoding for a code with high-degree checks, {ge} 5, they introduce its dendro-LDPC counterpart, that is the code performing identifically to the original one under Maximum-A-Posteriori (MAP) decoding but having reduced (down to three) check connectivity degree. Analyzing number of popular LDPC codes and their dendro versions performing over the Additive-White-Gaussian-Noise (AWGN) channel, they observed two qualitatively different regimes: (i) error-floor sets early, at relatively low SNR, and (ii) FER decays with SNR increase faster at moderate SNR than at the largest SNR. They explain these regimes in terms of the pseudo-codeword spectra of the codes.

  9. Pseudo-Newtonian planar circular restricted 3-body problem

    Energy Technology Data Exchange (ETDEWEB)

    Dubeibe, F.L., E-mail: fldubeibem@unal.edu.co [Facultad de Ciencias Humanas y de la Educación, Universidad de los Llanos, Villavicencio (Colombia); Grupo de Investigación en Relatividad y Gravitación, Escuela de Física, Universidad Industrial de Santander, A.A. 678, Bucaramanga (Colombia); Lora-Clavijo, F.D., E-mail: fadulora@uis.edu.co [Grupo de Investigación en Relatividad y Gravitación, Escuela de Física, Universidad Industrial de Santander, A.A. 678, Bucaramanga (Colombia); González, Guillermo A., E-mail: guillermo.gonzalez@saber.uis.edu.co [Grupo de Investigación en Relatividad y Gravitación, Escuela de Física, Universidad Industrial de Santander, A.A. 678, Bucaramanga (Colombia)

    2017-02-12

    We study the dynamics of the planar circular restricted three-body problem in the context of a pseudo-Newtonian approximation. By using the Fodor–Hoenselaers–Perjés procedure, we perform an expansion in the mass potential of a static massive spherical source up to the first non-Newtonian term, giving place to a gravitational potential that includes first-order general relativistic effects. With this result, we model a system composed by two pseudo-Newtonian primaries describing circular orbits around their common center of mass, and a test particle orbiting the system in the equatorial plane. The dynamics of the new system of equations is studied in terms of the Poincaré section method and the Lyapunov exponents, where the introduction of a new parameter ϵ, allows us to observe the transition from the Newtonian to the pseudo-Newtonian regime. We show that when the Jacobian constant is fixed, a chaotic orbit in the Newtonian regime can be either chaotic or regular in the pseudo-Newtonian approach. As a general result, we find that most of the pseudo-Newtonian configurations are less stable than their Newtonian equivalent.

  10. Modeling the sorption kinetic of metsulfuron-methyl on Andisols and Ultisols volcanic ash-derived soils: kinetics parameters and solute transport mechanisms.

    Science.gov (United States)

    Cáceres, Lizethly; Escudey, Mauricio; Fuentes, Edwar; Báez, María E

    2010-07-15

    Metsulfuron-methyl sorption kinetic was studied in Andisol and Ultisol soils in view of their distinctive physical and chemical properties: acidic pH and variable surface charge. Different kinetic models were applied to the experimental results. The pseudo-second-order model fitted sorption kinetics data better than the pseudo-first-order model. The rate constant and the initial rate constant values obtained through this model demonstrated the different behavior of metsulfuron-methyl in both kinds of soils, both parameters being the highest for Andisol. The application of Elovich equation, intraparticle diffusion model and a two-site nonequilibrium model (TSNE) allowed to conclude that: (i) the high organic matter content is the governing factor for Andisols where mass transfer across the boundary layer, and in a lesser degree, intraparticle diffusion were the two processes controlling sorption kinetic and (ii) the mineral composition was more relevant in Ultisols where rate was controlled almost exclusively by intraparticle diffusion into macropores and micropores. The slower sorption rate on Ultisols, the mechanism involved and the lower sorption capacity of this kind of soils must be taken into account to assess leaching behavior of this herbicide. 2010 Elsevier B.V. All rights reserved.

  11. Equilibrium, kinetics, mechanism, and process design for the sorption of methylene blue onto rice husk.

    Science.gov (United States)

    Vadivelan, V; Kumar, K Vasanth

    2005-06-01

    Batch experiments were carried out for the sorption of methylene blue onto rice husk particles. The operating variables studied were initial solution pH, initial dye concentration, adsorbent concentration, and contact time. Equilibrium data were fitted to the Freundlich and Langmuir isotherm equations and the equilibrium data were found to be well represented by the Langmuir isotherm equation. The monolayer sorption capacity of rice husks for methylene blue sorption was found to be 40.5833 mg/g at room temperature (32 degrees C). The sorption was analyzed using pseudo-first-order and pseudo-second-order kinetic models and the sorption kinetics was found to follow a pseudo-second-order kinetic model. Also the applicability of pseudo second order in modeling the kinetic data was also discussed. The sorption process was found to be controlled by both surface and pore diffusion with surface diffusion at the earlier stages followed by pore diffusion at the later stages. The average external mass transfer coefficient and intraparticle diffusion coefficient was found to be 0.01133 min(-1) and 0.695358 mg/g min0.5. Analysis of sorption data using a Boyd plot confirms that external mass transfer is the rate limiting step in the sorption process. The effective diffusion coefficient, Di was calculated using the Boyd constant and was found to be 5.05 x 10(-04) cm2/s for an initial dye concentration of 50 mg/L. A single-stage batch-adsorber design of the adsorption of methylene blue onto rice husk has been studied based on the Langmuir isotherm equation.

  12. A Numerical Iterative Method for Solving Systems of First-Order Periodic Boundary Value Problems

    Directory of Open Access Journals (Sweden)

    Mohammed AL-Smadi

    2014-01-01

    Full Text Available The objective of this paper is to present a numerical iterative method for solving systems of first-order ordinary differential equations subject to periodic boundary conditions. This iterative technique is based on the use of the reproducing kernel Hilbert space method in which every function satisfies the periodic boundary conditions. The present method is accurate, needs less effort to achieve the results, and is especially developed for nonlinear case. Furthermore, the present method enables us to approximate the solutions and their derivatives at every point of the range of integration. Indeed, three numerical examples are provided to illustrate the effectiveness of the present method. Results obtained show that the numerical scheme is very effective and convenient for solving systems of first-order ordinary differential equations with periodic boundary conditions.

  13. Will electrical cyber-physical interdependent networks undergo first-order transition under random attacks?

    Science.gov (United States)

    Ji, Xingpei; Wang, Bo; Liu, Dichen; Dong, Zhaoyang; Chen, Guo; Zhu, Zhenshan; Zhu, Xuedong; Wang, Xunting

    2016-10-01

    Whether the realistic electrical cyber-physical interdependent networks will undergo first-order transition under random failures still remains a question. To reflect the reality of Chinese electrical cyber-physical system, the "partial one-to-one correspondence" interdependent networks model is proposed and the connectivity vulnerabilities of three realistic electrical cyber-physical interdependent networks are analyzed. The simulation results show that due to the service demands of power system the topologies of power grid and its cyber network are highly inter-similar which can effectively avoid the first-order transition. By comparing the vulnerability curves between electrical cyber-physical interdependent networks and its single-layer network, we find that complex network theory is still useful in the vulnerability analysis of electrical cyber-physical interdependent networks.

  14. Shear Banding of Colloidal Glasses: Observation of a Dynamic First-Order Transition

    Science.gov (United States)

    Chikkadi, V.; Miedema, D. M.; Dang, M. T.; Nienhuis, B.; Schall, P.

    2014-11-01

    We demonstrate that application of an increasing shear field on a glass leads to an intriguing dynamic first-order transition in analogy with equilibrium transitions. By following the particle dynamics as a function of the driving field in a colloidal glass, we identify a critical shear rate upon which the diffusion time scale of the glass exhibits a sudden discontinuity. Using a new dynamic order parameter, we show that this discontinuity is analogous to a first-order transition, in which the applied stress acts as the conjugate field on the system's dynamic evolution. These results offer new perspectives to comprehend the generic shear-banding instability of a wide range of amorphous materials.

  15. Quantum criticality and first-order transitions in the extended periodic Anderson model

    Science.gov (United States)

    Hagymási, I.; Itai, K.; Sólyom, J.

    2013-03-01

    We investigate the behavior of the periodic Anderson model in the presence of d-f Coulomb interaction (Udf) using mean-field theory, variational calculation, and exact diagonalization of finite chains. The variational approach based on the Gutzwiller trial wave function gives a critical value of Udf and two quantum critical points (QCPs), where the valence susceptibility diverges. We derive the critical exponent for the valence susceptibility and investigate how the position of the QCP depends on the other parameters of the Hamiltonian. For larger values of Udf, the Kondo regime is bounded by two first-order transitions. These first-order transitions merge into a triple point at a certain value of Udf. For even larger Udf valence skipping occurs. Although the other methods do not give a critical point, they support this scenario.

  16. First-order flow equations for extremal and non-extremal black holes

    Science.gov (United States)

    Perz, Jan; Smyth, Paul; Van Riet, Thomas; Vercnocke, Bert

    2009-03-01

    We derive a general form of first-order flow equations for extremal and non-extremal, static, spherically symmetric black holes in theories with massless scalars and vectors coupled to gravity. By rewriting the action as a sum of squares à la Bogomol'nyi, we identify the function governing the first-order gradient flow, the `generalised superpotential', which reduces to the `fake superpotential' for non-supersymmetric extremal black holes and to the central charge for supersymmetric black holes. For theories whose scalar manifold is a symmetric space after a timelike dimensional reduction, we present the condition for the existence of a generalised superpotential. We provide examples to illustrate the formalism in four and five spacetime dimensions.

  17. Implementation of an optimal first-order method for strongly convex total variation regularization

    DEFF Research Database (Denmark)

    Jensen, Tobias Lindstrøm; Jørgensen, Jakob Heide; Hansen, Per Christian

    2012-01-01

    We present a practical implementation of an optimal first-order method, due to Nesterov, for large-scale total variation regularization in tomographic reconstruction, image deblurring, etc. The algorithm applies to μ-strongly convex objective functions with L-Lipschitz continuous gradient...... parameter μ for solving ill-conditioned problems to high accuracy, in comparison with an optimal method for non-strongly convex problems and a first-order method with Barzilai-Borwein step size selection........ In the framework of Nesterov both μ and L are assumed known—an assumption that is seldom satisfied in practice. We propose to incorporate mechanisms to estimate locally sufficient μ and L during the iterations. The mechanisms also allow for the application to non-strongly convex functions. We discuss...

  18. Determining the first order perturbation of a polyharmonic operator on admissible manifolds

    Science.gov (United States)

    Assylbekov, Yernat M.; Yang, Yang

    2017-01-01

    We consider the inverse boundary value problem for the first order perturbation of the polyharmonic operator L g , X , q, with X being a W 1 , ∞ vector field and q being an L∞ function on compact Riemannian manifolds with boundary which are conformally embedded in a product of the Euclidean line and a simple manifold. We show that the knowledge of the Dirichlet-to-Neumann map determines X and q uniquely. The method is based on the construction of complex geometrical optics solutions using the Carleman estimate for the Laplace-Beltrami operator due to Dos Santos Ferreira, Kenig, Salo and Uhlmann. Notice that the corresponding uniqueness result does not hold for the first order perturbation of the Laplace-Beltrami operator.

  19. The Canonical Structure of the First Order Einstein-Hilbert Action with a Flat Background

    CERN Document Server

    Chishtie, Farrukh

    2013-01-01

    It has been shown that the canonical structure of the first order Einstein-Hilbert (1EH) action involves three generations of constraints and that these can be used to find the generator of a gauge transformation which leaves the action invariant; this transformation is a diffeomorphism with field-dependent gauge function while on shell. In this paper we examine the relationship between the canonical structure of this action and that of the first order spin-2 (1S2) action, which is the weak field limit of the Einstein-Hilbert action. We find that the weak field limit of the Possion Brackets (PB) algebra of first class constraints associated with the 1EH action is not that of the 1S2 action.

  20. Anomalous critical slowdown at a first order phase transition in single polymer chains

    Science.gov (United States)

    Zhang, Shuangshuang; Qi, Shuanhu; Klushin, Leonid I.; Skvortsov, Alexander M.; Yan, Dadong; Schmid, Friederike

    2017-08-01

    Using Brownian dynamics, we study the dynamical behavior of a polymer grafted onto an adhesive surface close to the mechanically induced adsorption-stretching transition. Even though the transition is first order (in the infinite chain length limit, the stretching degree of the chain jumps discontinuously), the characteristic relaxation time is found to grow according to a power law as the transition point is approached. We present a dynamic effective interface model which reproduces these observations and provides an excellent quantitative description of the simulation data. The generic nature of the theoretical model suggests that the unconventional mixing of features that are characteristic for first-order transitions (a jump in an order parameter) and features that are characteristic of critical points (an anomalous slowdown) may be a common phenomenon in force-driven phase transitions of macromolecules.

  1. Discrete gravity as a local theory of the Poincare group in the first-order formalism

    Energy Technology Data Exchange (ETDEWEB)

    Gionti, Gabriele [Vatican Observatory Research Group, Steward Observatory, 933 North Cherry Avenue, University of Arizona, Tucson, AZ 85721 (United States); Specola Vaticana, V-00120 Citta Del Vaticano (Vatican City State, Holy See,)

    2005-10-21

    A discrete theory of gravity, locally invariant under the Poincare group, is considered as in a companion paper. We define a first-order theory, in the sense of Palatini, on the metric-dual Voronoi complex of a simplicial complex. We follow the same spirit as the continuum theory of general relativity in the Cartan formalism. The field equations are carefully derived taking in account the constraints of the theory. They look very similar to first-order Einstein continuum equations in the Cartan formalism. It is shown that in the limit of small deficit angles these equations have Regge calculus, locally, as the only solution. A quantum measure is easily defined which does not suffer the ambiguities of Regge calculus, and a coupling with fermionic matter is easily introduced.

  2. Invariant Functions, Symmetries and Primary Branch Solutions of First Order Autonomous Systems

    Science.gov (United States)

    Lou, Sen-Yue; Yao, Ruo-Xia

    2017-07-01

    An invariant function (IF) is defined as a multiplier of a symmetry that means a symmetry multiplied by an IF is still a symmetry. Primary branch solutions of arbitrary first order scalar systems can be obtained by means of the IF and its related symmetry approach. Especially, one recursion operator and some sets of infinitely many high order symmetries are also explicitly given for arbitrary (1+1)-dimensional first order autonomous systems. Because of the intrusion of the arbitrary function, various implicit special exact solutions can be found by fixing the arbitrary functions and selecting different seed solutions. Supported by the National Natural Science Foundations of China under Grant Nos. 11435005, 11471004, 11175092, and 11205092, Shanghai Knowledge Service Platform for Trustworthy Internet of Things No. ZF1213 and K. C. Wong Magna Fund in Ningbo University

  3. Critical ignition conditions in exothermically reacting systems: first-order reactions

    Science.gov (United States)

    Filimonov, Valeriy Yu.

    2017-10-01

    In this paper, the comparative analysis of the thermal explosion (TE) critical conditions on the planes temperature-conversion degree and temperature-time was conducted. It was established that the ignition criteria are almost identical only at relatively small values of Todes parameter. Otherwise, the results of critical conditions analysis on the plane temperature-conversion degree may be wrong. The asymptotic method of critical conditions calculation for the first-order reactions was proposed (taking into account the reactant consumption). The degeneration conditions of TE were determined. The calculation of critical conditions for specific first-order reaction was made. The comparison of the analytical results obtained with the results of numerical calculations and experimental data showed that they are in good agreement.

  4. QCD-Electroweak First-Order Phase Transition in a Supercooled Universe.

    Science.gov (United States)

    Iso, Satoshi; Serpico, Pasquale D; Shimada, Kengo

    2017-10-06

    If the electroweak sector of the standard model is described by classically conformal dynamics, the early Universe evolution can be substantially altered. It is already known that-contrarily to the standard model case-a first-order electroweak phase transition may occur. Here we show that, depending on the model parameters, a dramatically different scenario may happen: A first-order, six massless quark QCD phase transition occurs first, which then triggers the electroweak symmetry breaking. We derive the necessary conditions for this dynamics to occur, using the specific example of the classically conformal B-L model. In particular, relatively light weakly coupled particles are predicted, with implications for collider searches. This scenario is also potentially rich in cosmological consequences, such as renewed possibilities for electroweak baryogenesis, altered dark matter production, and gravitational wave production, as we briefly comment upon.

  5. Constraint-preserving boundary conditions in the 3+1 first-order approach

    CERN Document Server

    Bona, C

    2010-01-01

    A set of stable energy-momentum constraint-preserving boundary conditions are proposed for the first-order Z4 case. No linear modes appear in the robust stability test. Also, a modified finite-differences stencil for boundary points is presented, which avoids the corner and vertex points even in cartesian-like grids. Moreover, the proposed boundary conditions are tested in a strong field scenario, the Gowdy waves metric, showing that the accumulated amount of energy-momentum constraint violations is of the same order of magnitude than the one generated by either periodic or reflection conditions, which are exact in the Gowdy waves case. As a side result, a new symmetrizer is explicitly given, which extends the parametric domain of symmetric hyperbolicity for the Z4 formalism. The aplication of these results to first-order BSSN-like formalisms is also considered.

  6. Acceleration time scale for the first-order Fermi acceleration in relativistic shock waves

    OpenAIRE

    Bednarz, J.; Ostrowski, M.

    1996-01-01

    The acceleration time scale for the process of first-order Fermi acceleration in relativistic shock waves with oblique magnetic field configurations is investigated by the method of Monte Carlo particle simulations. We demonstrate the presence of correlation between the particle energy gain at interaction with the shock and the respective time elapsed since the previous interaction. Because of that any derivation of the acceleration time scale can not use the distribution of energy gains and ...

  7. Hydrology and water quality of two first order forested watersheds in coastal South Carolina

    Science.gov (United States)

    D.M. Amatya; M. Miwa; C.A. Harrison; C.C. Trettin; G. Sun

    2006-01-01

    Two first-order forested watersheds (WS 80 and WS 77) on poorly drained pine-hardwood stands in the South Carolina Coastal Plain have been monitored since mid-1960s to characterize the hydrology, water quality and vegetation dynamics. This study examines the flow and nutrient dynamics of these two watersheds using 13 years (1 969-76 and 1977-81) of data prior to...

  8. First-order selfadjoint singular differential operators in a Hilbert space of vector functions

    Directory of Open Access Journals (Sweden)

    Pembe Ipek

    2017-06-01

    Full Text Available In this article, we give a representation of all selfadjoint extensions of the minimal operator generated by first-order linear symmetric multipoint singular differential expression, with operator coefficient in the direct sum of Hilbert spaces of vector-functions defined at the semi-infinite intervals. To this end we use the Calkin-Gorbachuk method. Finally, the geometry of spectrum set of such extensions is researched.

  9. Experimental Determination of System Outage Probability Due to First-Order and Second-Order PMD

    Science.gov (United States)

    Yaffe, Henry H.; Peterson, Daniel L., Jr.

    2006-11-01

    In this paper, a polarization-mode dispersion (PMD) tolerance testing procedure for transponders and transmission systems is described. This method exploits programmable PMD sources for testing the first- and second-order joint probability density function to estimate the total PMD network outage. Experimental data show that first-order-only PMD testing is insufficient to quantify the tolerance of a transponder and may falsely underestimate network outage.

  10. Supplementary First-Order All-Pass Filters with Two Grounded Passive Elements Using FDCCII

    Directory of Open Access Journals (Sweden)

    K. Pal

    2011-06-01

    Full Text Available In this study, two novel first-order all-pass filters are proposed using only one grounded resistor and one grounded capacitor along with a fully differential current conveyor (FDCCII. There is no element-matching restriction. The presented all-pass filter circuits can be made electronically tunable due to the electronic resistors. Furthermore, the presented circuits enjoy high-input impedance for easy cascadability. The theoretical results are verified with SPICE simulations.

  11. Comment on "Evidence of a first-order phase transition to metallic hydrogen"

    Science.gov (United States)

    Howie, Ross T.; Dalladay-Simpson, Philip; Gregoryanz, Eugene

    2017-10-01

    A recent article by Zaghoo et al. [Phys. Rev. B 93, 155128 (2016), 10.1103/PhysRevB.93.155128] presented high-pressure high-temperature optical experiments claiming the observation of a first-order transition to atomic liquid metallic hydrogen. Here, we demonstrate that the experimental evidence presented is unsubstantial for such a claim. Furthermore, the claimed results and conclusions contradict previously published works, including those by the same research group.

  12. Maximum Principles and Boundary Value Problems for First-Order Neutral Functional Differential Equations

    Directory of Open Access Journals (Sweden)

    Domoshnitsky Alexander

    2009-01-01

    Full Text Available We obtain the maximum principles for the first-order neutral functional differential equation where , and are linear continuous operators, and are positive operators, is the space of continuous functions, and is the space of essentially bounded functions defined on . New tests on positivity of the Cauchy function and its derivative are proposed. Results on existence and uniqueness of solutions for various boundary value problems are obtained on the basis of the maximum principles.

  13. First order mean field games - explicit solutions, perturbations and connection with classical mechanics

    KAUST Repository

    Gomes, Diogo A.

    2016-01-06

    We present recent developments in the theory of first-order mean-field games (MFGs). A standard assumption in MFGs is that the cost function of the agents is monotone in the density of the distribution. This assumption leads to a comprehensive existence theory and to the uniqueness of smooth solutions. Here, our goals are to understand the role of local monotonicity in the small perturbation regime and the properties of solutions for problems without monotonicity. Under a local monotonicity assumption, we show that small perturbations of MFGs have unique smooth solutions. In addition, we explore the connection between first-order MFGs and classical mechanics and KAM theory. Next, for non-monotone problems, we construct non-unique explicit solutions for a broad class of first-order mean-field games. We provide an alternative formulation of MFGs in terms of a new current variable. These examples illustrate two new phenomena: the non-uniqueness of solutions and the breakdown of regularity.

  14. AMD-stability in the presence of first-order mean motion resonances

    Science.gov (United States)

    Petit, A. C.; Laskar, J.; Boué, G.

    2017-11-01

    The angular momentum deficit (AMD)-stability criterion allows to discriminate between a priori stable planetary systems and systems for which the stability is not granted and needs further investigations. AMD-stability is based on the conservation of the AMD in the averaged system at all orders of averaging. While the AMD criterion is rigorous, the conservation of the AMD is only granted in absence of mean-motion resonances (MMR). Here we extend the AMD-stability criterion to take into account mean-motion resonances, and more specifically the overlap of first-order MMR. If the MMR islands overlap, the system will experience generalized chaos leading to instability. The Hamiltonian of two massive planets on coplanar quasi-circular orbits can be reduced to an integrable one degree of freedom problem for period ratios close to a first-order MMR. We use the reduced Hamiltonian to derive a new overlap criterion for first-order MMR. This stability criterion unifies the previous criteria proposed in the literature and admits the criteria obtained for initially circular and eccentric orbits as limit cases. We then improve the definition of AMD-stability to take into account the short term chaos generated by MMR overlap. We analyze the outcome of this improved definition of AMD-stability on selected multi-planet systems from the Extrasolar Planets Encyclopædia.

  15. The weaker effects of First-order mean motion resonances in intermediate inclinations

    Science.gov (United States)

    Chen, YuanYuan; Quillen, Alice C.; Ma, Yuehua; Chinese Scholar Council, the National Natural Science Foundation of China, the Natural Science Foundation of Jiangsu Province, the Minor Planet Foundation of the Purple Mountain Observatory

    2017-10-01

    During planetary migration, a planet or planetesimal can be captured into a low-order mean motion resonance with another planet. Using a second-order expansion of the disturbing function in eccentricity and inclination, we explore the sensitivity of the capture probability of first-order mean motion resonances to orbital inclination. We find that second-order inclination contributions affect the resonance strengths, reducing them at intermediate inclinations of around 10-40° for major first-order resonances. We also integrated the Hamilton's equations with arbitrary initial arguments, and provided the varying tendencies of resonance capture probabilities versus orbital inclinations for different resonances and different particle or planetary eccentricities. Resonance-weaker ranges in inclinations generally appear at the places where resonance strengths are low, around 10-40° in general. The weaker ranges disappear with a higher particle eccentricity (≳0.05) or planetary eccentricity (≳0.05). These resonance-weaker ranges in inclinations implies that intermediate-inclination objects are less likely to be disturbed or captured into the first-order resonances, which would make them entering into the chaotic area around Neptune with a larger fraction than those with low inclinations, during the epoch of Neptune's outward migration. The privilege of high-inclination particles leave them to be more likely captured into Neptune Trojans, which might be responsible for the unexpected high fraction of high-inclination Neptune Trojans.

  16. First order leveling: Pleasant Bayou geothermal test site, Brazoria County, Texas

    Energy Technology Data Exchange (ETDEWEB)

    1984-10-01

    First order leveling to be conducted as part of an environmental monitoring program for a geopressured test well was reported. 39.43 kilometers of first order levels were run to NGS specifications. Twelve Class B type bench marks were set to NGS specifications. The adjusted elevation of bench mark C-1209 was used as a starting elevation and is based on a supplementary adjustment of April 6, 1979 by NGS. The closure for the loop around the well site is -0.65 millimeters. The distance around the loop is 1.29 kilometers, the allowable error of closure was 4.54 millimeters. The initial leveling of this well was performed in 1977. A thorough search for their monumentation was conducted. No monuments were found due to the lack of adequate monument descriptions. Therefore, an elevation comparison summary for this report is only available along the NGS lines outside the well area. The first order level tie to line No. 101 (BMA-1208) was +3.37 millimeters in 17.21 kilometers. The allowable error of closure was 12.44 millimeters.

  17. Investigation of snow single scattering properties based on first order Legendre phase function

    Science.gov (United States)

    Eppanapelli, Lavan Kumar; Casselgren, Johan; Wåhlin, Johan; Sjödahl, Mikael

    2017-04-01

    Angularly resolved bidirectional reflectance measurements were modelled by approximating a first order Legendre expanded phase function to retrieve single scattering properties of snow. The measurements from 10 different snow types with known density and specific surface area (SSA) were investigated. A near infrared (NIR) spectrometer was used to measure reflected light above the snow surface over the hemisphere in the wavelength region of 900-1650 nm. A solver based on discrete ordinate radiative transfer (DISORT) model was used to retrieve the estimated Legendre coefficients of the phase function and a correlation between the coefficients and physical properties of different snow types is investigated. Results of this study suggest that the first two coefficients of the first order Legendre phase function provide sufficient information about the physical properties of snow where the latter captures the anisotropic behaviour of snow and the former provides a relative estimate of the single scattering albedo of snow. The coefficients of the first order phase function were compared with the experimental data and observed that both the coefficients are in good agreement with the experimental data. These findings suggest that our approach can be applied as a qualitative tool to investigate physical properties of snow and also to classify different snow types.

  18. The first-order theory of ordering constraints over feature trees

    Directory of Open Access Journals (Sweden)

    Martin Müller

    2001-12-01

    Full Text Available The system FT ≤ of ordering constraints over feature trees has been introduced as an extension of the system FT of equality constraints over feature trees. We investigate the first-order theory of FT ≤ and its fragments in detail, both over finite trees and over possibly infinite trees. We prove that the first-order theory of FT ≤ is undecidable, in contrast to the first-order theory of FT which is well-known to be decidable. We show that the entailment problem of FT ≤ with existential quantification is PSPACE-complete. So far, this problem has been shown decidable, coNP-hard in case of finite trees, PSPACE-hard in case of arbitrary trees, and cubic time when restricted to quantifier-free entailment judgments. To show PSPACE-completeness, we show that the entailment problem of FT ≤ with existential quantification is equivalent to the inclusion problem of non-deterministic finite automata.

  19. Data fusion in cyber security: first order entity extraction from common cyber data

    Science.gov (United States)

    Giacobe, Nicklaus A.

    2012-06-01

    The Joint Directors of Labs Data Fusion Process Model (JDL Model) provides a framework for how to handle sensor data to develop higher levels of inference in a complex environment. Beginning from a call to leverage data fusion techniques in intrusion detection, there have been a number of advances in the use of data fusion algorithms in this subdomain of cyber security. While it is tempting to jump directly to situation-level or threat-level refinement (levels 2 and 3) for more exciting inferences, a proper fusion process starts with lower levels of fusion in order to provide a basis for the higher fusion levels. The process begins with first order entity extraction, or the identification of important entities represented in the sensor data stream. Current cyber security operational tools and their associated data are explored for potential exploitation, identifying the first order entities that exist in the data and the properties of these entities that are described by the data. Cyber events that are represented in the data stream are added to the first order entities as their properties. This work explores typical cyber security data and the inferences that can be made at the lower fusion levels (0 and 1) with simple metrics. Depending on the types of events that are expected by the analyst, these relatively simple metrics can provide insight on their own, or could be used in fusion algorithms as a basis for higher levels of inference.

  20. Is a proposed reaction mechanism free from unnecessary assumptions? Occam's razor applied in a mathematical way to complex first-order reaction systems.

    Science.gov (United States)

    Bergson, Göran; Linderberg, Jan

    2008-05-08

    Following Occam's principle, a proposed reaction mechanism should not contain assumptions about the existence of reactive intermediates and reaction paths that are unnecessary for a full description and interpretation of the available facts. A mechanism refers, in this paper, to a proposed reaction scheme or network that represents the reactions supposed to be going on in a complex reaction system with observable species as well as unobservable reactive intermediates. The scope is limited here to (pseudo) first-order reactions and the steady-state approximation is invoked in order to relate unknown mechanistic rate constants to experimentally determined ones, and, when available, theoretically calculated quantities. When the resulting, nonlinear system of equations admits a unique solution within a physically reasonable domain, it is concluded that the reaction mechanism fulfills Occam's principle. Otherwise, there are many or no solutions. No subjective or qualitative arguments enter the procedure and the outcome is not negotiable.

  1. Thermodynamics and Kinetics of Cadmium Ion Adsorption onto Lignite-derived Amendments

    Directory of Open Access Journals (Sweden)

    BAO Xiu-li

    2017-06-01

    Full Text Available Adsorption kinetics and thermodynamics of cadmium onto lignite-derived humic acid and lignite-derived active carbon were investigated by batch experiments under different temperatures. The adsorption thermodynamic isotherms were fitted using Langmuir, Freundlich and Temkin models, the adsorption kinetics were fitted to pseudo-first-order, pseudo-second-order, Elovich, fractional power and intraparticle diffusion models. Thermodynamic studies showed that Temkin model displayed the most suitable model to describe adsorption of cadmium onto raw lignite, extracted humic acid and active carbon. Thermodynamic parameters indicated the adsorption process were spontaneous, favourable, and endothermic physical adsorption in nature. The equilibrium adsorption capacity of cadmium obtained from the Langmiur model for humic acid, lignite and active carbon was 36.14~44.09, 29.63~38.20 mg·g-1 and 21.04~30.34 mg·g-1 respectively in the temperature range of 294.55~313.15 K, adsorption capacity magnitudes increased with a rise of temperature, indicating more feasible adsorption at high temperature. Adsorption kinetics parameters showed that the pseudo-second-order model was better than the pseudo-first-order, Elovich, fractional power and the intraparticle diffusion models, this indicated that cadmium adsorption might be a physisorption associated with chemisorption process. According to the adsorption characteristics of kinetics, thermodynamics parameters such as change in free energy(△G, change in enthalpy(△H, and change in entropy(△S, it was concluded that the adsorption process of cadmium onto these different adsorbents were spontaneous, endothermic, simultaneous physisorption and accompanied by chemisorption or alternatively physicochemical process. Adsorbents of humic acid had the great adsorption capacity and adsorption intensity. Temkin isotherm model and pseudo-second-order model could be the suitable models with good fitting for describing the

  2. Kinetic studies of elemental mercury adsorption in activated carbon fixed bed reactor

    Energy Technology Data Exchange (ETDEWEB)

    Skodras, G. [Chemical Process Engineering Laboratory, Department of Chemical Engineering, Aristotle University of Thessaloniki, Thessaloniki (Greece); Laboratory of Energy and Environmental Processes, Chemical Process Engineering Research Institute, Thessaloniki (Greece); Institute for Solid Fuels Technology and Applications, Ptolemais (Greece); Diamantopoulou, Ir. [Chemical Process Engineering Laboratory, Department of Chemical Engineering, Aristotle University of Thessaloniki, Thessaloniki (Greece)], E-mail: ediamant@vergina.eng.auth.gr; Pantoleontos, G. [Institute for Solid Fuels Technology and Applications, Ptolemais (Greece); Sakellaropoulos, G.P. [Chemical Process Engineering Laboratory, Department of Chemical Engineering, Aristotle University of Thessaloniki, Thessaloniki (Greece); Laboratory of Energy and Environmental Processes, Chemical Process Engineering Research Institute, Thessaloniki (Greece)

    2008-10-01

    Activated carbons are suitable materials for Hg{sup 0} adsorption in fixed bed operation or in injection process. The fixed bed tests provide good indication of activated carbons effectiveness and service lives, which depend on the rates of Hg{sup 0} adsorption. In order to correlate fixed bed properties and operation conditions, with their adsorptive capacity and saturation time, Hg{sup 0} adsorption tests were realized in a bench-scale unit, consisted of F400 activated carbon fixed bed reactor. Hg{sup 0} adsorption tests were conducted at 50 deg. C, under 0.1 and 0.35 ng/cm{sup 3} Hg{sup 0} initial concentrations and with carbon particle sizes ranging between 75-106 and 150-250 {mu}m. Based on the experimental breakthrough data, kinetic studies were performed to investigate the mechanism of adsorption and the rate controlling steps. Kinetic models evaluated include the Fick's intraparticle diffusion equation, the pseudo-first order model, the pseudo-second order model and Elovich kinetic equation. The obtained experimental results revealed that the increase in particle size resulted in significant decrease of breakthrough time and mercury adsorptive capacity, due to the enhanced internal diffusion limitations and smaller external mass transfer coefficients. Additionally, higher initial mercury concentrations resulted in increased breakthrough time and mercury uptake. From the kinetic studies results it was observed that all the examined models describes efficiently Hg{sup 0} breakthrough curves, from breakpoint up to equilibrium time. The most accurate prediction of the experimental data was achieved by second order model, indicating that the chemisorption rate seems to be the controlling step in the procedure. However, the successful attempt to describe mercury uptake with Fick's diffusion model and the first order kinetic model, reveals that the adsorption mechanism studied was complex and followed both surface adsorption and particle diffusion.

  3. A problem with estimating the pseudo-activation energy of kerogen thermal maturation from Connan's time-temperature relation in oil genesis

    Energy Technology Data Exchange (ETDEWEB)

    Barker, C.E.

    1984-01-01

    Connan's time-temperature relation in oil genesis as derived from first-order reaction kinetics is algebraically correct, but its application to natural petroleum generation is invalidated by the assumption that the ratio of initial kerogen concentration to degraded kerogen concentration is constant from deposition to the initiation of intense oil generation. The ratio can only remain constant if no reaction is occurring and, therefore, Connan's data on ''reaction time'' in petroleum generation (assumed to be the age of the sediment) only measures the time elapsed since the system formed. Thus, the widely cited pseudo-activation energy of 11-14 kcal/mole computed from Connan's equation for the start of oil generation from kerogen is meaningless.

  4. ADSORPTION OF Pb2+ IONS FROM AQUEOUS SOLUTIONS ONTO BAEL TREE LEAF POWDER: ISOTHERMS, KINETICS AND THERMODYNAMICS STUDY

    Directory of Open Access Journals (Sweden)

    P. SENTHIL KUMAR

    2009-12-01

    Full Text Available In this study, bael tree (BT leaf powder was used as an adsorbent for removal of Pb2+ ions from aqueous solutions through batch equilibrium technique. The influence of pH, equilibrium time, temperature, adsorbent dosage and initial concentration of metal ions on adsorbed amount of metals ions were investigated. Studies showed that the pH of aqueous solutions affected Pb2+ ions removal as a result of removal efficiency increased with increasing solution pH. The experimental isotherm data were analyzed using the Langmuir, Freundlich, Temkin and Dubinin-Radushkevich equations. The monolayer adsorption capacity is 4.065 mg/g with the correlation coefficient of 0.993. The experiments showed that highest removal rate was 84.93% at solution pH 5, contact time 60 min and initial concentration of 50 mg/L. Thermodynamic parameters such as Gibbs free energy, enthalpy, and entropy have also been evaluated and it has been found that the sorption process was feasible, spontaneous and exothermic in nature. Three simplified kinetic models including a pseudo-first-order equation, pseudo-second-order equation and intraparticle diffusion equation were selected to follow the adsorption process. Kinetic parameters, rate constants, equilibrium sorption capacities and related correlation coefficients, for each kinetic model were calculated and discussed. It was shown that the adsorption of Pb2+ ions could be described by the pseudo-second order equation, suggesting that the adsorption process is presumable a chemisorption.

  5. Carrageenan-based semi-IPN nanocomposite hydrogels: Swelling kinetic and slow release of sequestrene Fe 138 fertilizer

    Directory of Open Access Journals (Sweden)

    Mohammad Kazem Bahrami

    2016-09-01

    Full Text Available Nanocomposite hydrogels based on kappa-carrageenan were synthesized by incorporating natural sodium montmorillonite (Cloisite nanoclay. Acrylamide (AAm and methylenebisacrylamide (MBA were used as a monomer and a crosslinker, respectively. Effects of reaction variables on the swelling kinetics were studied. The results revealed that the rate of swelling for nanocomposites with high content of MBA was higher than those of nanocomposites consisting of low content of MBA. Similar to the effect of MBA, the rate of swelling enhanced as the carrageenan content was decreased. The influence of clay content on swelling rate was not remarkable. The experimental swelling data were evaluated by pseudo-first-order and pseudo-second-order kinetic models. The swelling data described well by pseudo-second-order kinetic model. Sequestrene Fe 138 (Sq as an agrochemical was loaded into nanocomposites and releasing of this active agent from nanocomposites was studied. The clay-free hydrogel released the whole loaded Sq; whereas the presence of clay restricted the release of Sq.

  6. Study of Fluoride Affinity by Zirconium Impregnated Walnut Shell Carbon in Aqueous Phase: Kinetic and Isotherm Evaluation

    Directory of Open Access Journals (Sweden)

    M. Rajan

    2013-01-01

    Full Text Available This paper examines the kinetics of fluoride removal from water by the adsorbent zirconium-impregnated walnut-shell carbon (ZIWSC, exploring the mechanisms involved. The dependence of the adsorption of fluoride on the pH of the solution has been studied to achieve the optimum pH value and a better understanding of the adsorption mechanism. The presence of bicarbonate ions in aqueous solution was found to affect the fluoride removal indicating that these anions compete with the sorption of fluoride on adsorbents. The kinetic profile has been modeled using pseudo-first-order model, pseudo-second-order model, and intraparticle diffusion model. The kinetic sorption profiles offered excellent fit with pseudo-second-order model. Adsorption isotherms have been modeled by Langmuir, Freundlich, and Temkin equations, and their constants were determined. The equilibrium adsorption data were fitted reasonably well for Freundlich isotherm model. XRD and SEM patterns of the ZIWSC were recorded to get better insight into the mechanism of adsorption process.

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

    Directory of Open Access Journals (Sweden)

    Ali Fakhri

    2017-01-01

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

  8. Adsorptive Removal of Formaldehyde by Chemically Bamboo Activated Carbon with addition of Ag nanoparticle: Equilibrium and Kinetic

    Directory of Open Access Journals (Sweden)

    Pita Rengga Wara Dyah

    2016-01-01

    Full Text Available Carbon was prepared from dried waste bamboo (Dendrocalamus asper using chemical activation with KOH. The carbon was prepared with the activating agent in a mass ratio of KOH and dried bamboo (3:1 at 800oC. Using impregnation technique, the bamboo-based activated carbon has developed with modified Ag nanoparticle (Ag-AC to capture formaldehyde. The Ag-AC has characteristics of moderate surface area of 685 m2/g and average pore size of 2.7 nm. The adsorption equilibriums and kinetics of formaldehyde on Ag-AC measured. The influences of initial formaldehyde on adsorption performance have measured in a batch system. The equilibrium data were evaluated by isotherm models of Langmuir, Freundlich, and Temkin. The Langmuir model well describes the adsorptive removal of formaldehyde on Ag-AC in this study. Pseudo-first-order and pseudo-second-order kinetic equations were applied to test the experimental data. The pseudo-second-order exhibited the best fit for kinetic study.

  9. Kinetic and equilibrium profile of the adsorptive removal of Acid Red 17 dye by surfactant-modified fuller's earth.

    Science.gov (United States)

    Shah, Jasmin; Jan, Muhammad Rasul; Muhammad, Mian; Ara, Behisht; Fahmeeda, Fahmeeda

    2017-03-01

    In the present study, fuller's earth (FE) was modified with sodium dodecyl sulfate for removal of Acid Red 17 (AR 17) dye from aqueous solutions. The surfactant-modified FE and FE were characterized by a Fourier transform infrared spectrometer, thermogravimetric analyzer and scanning electron microscope. Batch adsorption experiments were carried out as a function of contact time, pH, initial concentration of AR 17 and adsorbent dosage. About 99.1% adsorption efficiency was achieved within 60 min at adsorbent dose of 0.1 g for initial dye concentration of 1,000 mg L-1 at pH 10. The adsorption data were well fitted with the Dubinin-Radushkevich isotherm model implying physisorption as the major phenomenon for adsorption. The kinetic data were analyzed using four kinetic equations: pseudo-first-order, pseudo-second-order, intraparticle diffusion and Elovich equations. The rates of adsorption confirmed the pseudo-second-order kinetics with good correlation value (R2 = 0.999). The results indicate that the modified adsorbent can effectively be used for the removal of AR 17 from wastewater with high absorption capacity of 2164.61 mg g-1.

  10. A kinetic modeling study of phosphate adsorption onto Phoenix dactylifera L. date palm fibers in batch mode

    Directory of Open Access Journals (Sweden)

    Khalifa Riahi

    2017-01-01

    Full Text Available The removal of phosphates from aqueous solutions by adsorption onto date palm fibers (DPF has been studied in batch mode. The aim of this study was to understand the mechanisms that govern phosphate sorption and find an appropriate model for the kinetics of removal. In order to investigate the mechanism of sorption and potential rate controlling steps, pseudo first-order, pseudo second-order, intra-particle diffusion and the Elovich equations have been used to test experimental data. Kinetic analysis of the four models has been carried out for initial phosphate concentration in the range of 30–110 mg/L. The rate constants for the four models have been determined and the correlation coefficients have been calculated in order to assess which model provides the best fit predicted data with experimental results. Seven statistical functions were used to estimate the error deviations between experimental and theoretically predicted kinetic adsorption values, including the average relative error deviation (ARED, Marquardt’s percent standard error deviation (MPSED, the hybrid fractional error function (HYBRID, the sum of the squares of the errors (SSE and three alternative statistical functions, including the Chi-square test, the F-test and Student’s T-test. The results showed that, both Elovich equation and pseudo second-order equation provide the best fit to experimental data for different initial phosphate concentrations.

  11. Sorption of Ammonium Ions onto Natural and Modified Egyptian Kaolinites: Kinetic and Equilibrium Studies

    Directory of Open Access Journals (Sweden)

    Ola I. El-Shafey

    2014-01-01

    Full Text Available Thermally activated, acid-activated, and acid-leached of thermally activated kaolinites were prepared from the Egyptian ore. The physical and chemical properties were studied using N2 sorption at −196°C, FTIR, SEM, and the total surface acidity. The sorption of NH4+ ions on the investigated sorbents was controlled with the solution pH, sorbent dosage, and initial concentration of NH4+ solution. Kinetic and equilibrium NH4+ sorption at 30°C were employed. Four kinetic models were applied to the kinetic sorption data; pseudo-second-order, Elovich, and intraparticle diffusion models fitted well the kinetic data whereas pseudo-first-order model was less applicable. Elovich parameters refer to physical sorption type of NH4+ on nonuniform sites and the intraparticle diffusion controls the sorption of NH4+ by kaolinites to a small extent. The equilibrium sorption data followed Langmuir and D-R models; the negative value of ΔG indicates a spontaneous sorption and the mean sorption energy obtained shows also physical sorption. The sorption capacities of nonactivated and activated Egyptian kaolinites towards NH4+ sorption (10.87–45.45 mg·g−1 were good sorbents as compared with those uptaken by other clays reported in the literature and proved to be more active besides being less expensive and highly available.

  12. Removal of methylparaben from synthetic aqueous solutions using polyacrylonitrile beads: kinetic and equilibrium studies.

    Science.gov (United States)

    Forte, Maurizio; Mita, Luigi; Perrone, Rosa; Rossi, Sergio; Argirò, Mario; Mita, Damiano Gustavo; Guida, Marco; Portaccio, Marianna; Godievargova, Tzonka; Ivanov, Yavour; Tamer, Mahmoud T; Omer, Ahmed M; Mohy Eldin, Mohamed S

    2017-01-01

    The removal of methylparaben (MP), a well-known endocrine disruptor, from aqueous solutions using polyacrylonitrile (PAN) beads has been studied under batch conditions, at room temperature and at different initial MP concentrations. The kinetic and equilibrium results have been analyzed. Kinetic modeling analysis has been carried out with three different types of adsorption models: pseudo-first-order, pseudo-second-order, and Elovich model. Kinetic data analysis indicated that the adsorption was a second-order process. The MP adsorption by PAN was also quantitatively evaluated by using the equilibrium adsorption isotherm models of Langmuir, Freundlich, Dubinin-Radushkevich (D-R), and Temkin and the applicability of the respective isotherm equations has been compared through the correlation coefficients. Adsorption data resulted well fitted by the Freundlich isotherm model. Data of MP adsorption have also been used to test different adsorption diffusion models. The diffusion rate equations inside particulate of Dumwald-Wagner and the intraparticle diffusion model have been used to calculate the diffusion rate. The actual rate-controlling step involved in the MB adsorption process was determined. The kinetic expression by Boyd gave the right indications. All together, our results indicate that PAN beads are a useful tool to remediate water bodies polluted by endocrine disruptors.

  13. Equilibrium, thermodynamic and kinetic studies for the biosorption of aqueous lead(II) ions onto the seed husk of Calophyllum inophyllum.

    Science.gov (United States)

    Lawal, O S; Sanni, A R; Ajayi, I A; Rabiu, O O

    2010-05-15

    Biosorption of lead(II) ions from aqueous solution onto the seed husk of Calophyllum inophyllum was investigated in a batch system. Equilibrium, thermodynamics and kinetic studies were conducted by considering the effects of pH, initial metal ion concentration, contact time, and temperature. The results showed that the uptake of the metal ions increased with increase in initial metal ion concentration. The pH for optimum adsorption was 4 for the Pb(II) ions (q=4.86 mg/g and 97.2% adsorption). Langmuir isotherm described the biosorption of Pb(II) ions onto the biomass (R(2)=0.9531) better than the Freundlich model (R(2)=0.7984), and the Temkin model (R(2)=0.8761). Biosorption kinetics data obtained for the metal ions sorption were fitted using pseudo-first-order and pseudo-second-order. It was found that the kinetics data fitted well into the pseudo-second-order kinetics. Thermodynamic parameters such as Gibbs free energy (DeltaG), standard enthalpy (DeltaH) and standard entropy (DeltaS) were evaluated. The result showed that biosorption of the metal ion onto C. inophyllum biomass was spontaneous and endothermic in nature. The results of FTIR (Fourier-transform infrared spectroscopy) revealed that carboxyl, amine, and hydroxyl groups on the biomass surface were involved in the adsorption of Pb(II) ions. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  14. Equilibrium, thermodynamic and kinetic studies for the biosorption of aqueous lead(II) ions onto the seed husk of Calophyllum inophyllum

    Energy Technology Data Exchange (ETDEWEB)

    Lawal, O.S., E-mail: laidelawal2@yahoo.com [Department of Chemical Sciences, Faculty of Science, Olabisi Onabanjo University, P.M.B 2002, Ago Iwoye, Ogun State (Nigeria); Sanni, A.R. [Department of Chemical Sciences, Faculty of Science, Olabisi Onabanjo University, P.M.B 2002, Ago Iwoye, Ogun State (Nigeria); Ajayi, I.A. [Department of Chemistry, Faculty of Science, University of Ibadan (Nigeria); Rabiu, O.O. [Department of Chemical Sciences, Faculty of Science, Olabisi Onabanjo University, P.M.B 2002, Ago Iwoye, Ogun State (Nigeria)

    2010-05-15

    Biosorption of lead(II) ions from aqueous solution onto the seed husk of Calophyllum inophyllum was investigated in a batch system. Equilibrium, thermodynamics and kinetic studies were conducted by considering the effects of pH, initial metal ion concentration, contact time, and temperature. The results showed that the uptake of the metal ions increased with increase in initial metal ion concentration. The pH for optimum adsorption was 4 for the Pb(II) ions (q = 4.86 mg/g and 97.2% adsorption). Langmuir isotherm described the biosorption of Pb(II) ions onto the biomass (R{sup 2} = 0.9531) better than the Freundlich model (R{sup 2} = 0.7984), and the Temkin model (R{sup 2} = 0.8761). Biosorption kinetics data obtained for the metal ions sorption were fitted using pseudo-first-order and pseudo-second-order. It was found that the kinetics data fitted well into the pseudo-second-order kinetics. Thermodynamic parameters such as Gibbs free energy ({Delta}G), standard enthalpy ({Delta}H) and standard entropy ({Delta}S) were evaluated. The result showed that biosorption of the metal ion onto C. inophyllum biomass was spontaneous and endothermic in nature. The results of FTIR (Fourier-transform infrared spectroscopy) revealed that carboxyl, amine, and hydroxyl groups on the biomass surface were involved in the adsorption of Pb(II) ions.

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

    Science.gov (United States)

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

    2010-12-01

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

  16. A Polarimetric First-Order Model of Soil Moisture Effects on the DInSAR Coherence

    Directory of Open Access Journals (Sweden)

    Simon Zwieback

    2015-06-01

    Full Text Available Changes in soil moisture between two radar acquisitions can impact the observed coherence in differential interferometry: both coherence magnitude |Υ| and phase Φ are affected. The influence on the latter potentially biases the estimation of deformations. These effects have been found to be variable in magnitude and sign, as well as dependent on polarization, as opposed to predictions by existing models. Such diversity can be explained when the soil is modelled as a half-space with spatially varying dielectric properties and a rough interface. The first-order perturbative solution achieves–upon calibration with airborne L band data–median correlations ρ at HH polarization of 0.77 for the phase Φ, of 0.50 for |Υ|, and for the phase triplets ≡ of 0.56. The predictions are sensitive to the choice of dielectric mixing model, in particular the absorptive properties; the differences between the mixing models are found to be partially compensatable by varying the relative importance of surface and volume scattering. However, for half of the agricultural fields the Hallikainen mixing model cannot reproduce the observed sensitivities of the phase to soil moisture. In addition, the first-order expansion does not predict any impact on the HV coherence, which is however empirically found to display similar sensitivities to soil moisture as the co-pol channels HH and VV. These results indicate that the first-order solution, while not able to reproduce all observed phenomena, can capture some of the more salient patterns of the effect of soil moisture changes on the HH and VV DInSAR signals. Hence it may prove useful in separating the deformations from the moisture signals, thus yielding improved displacement estimates or new ways for inferring soil moisture.

  17. Removal of Dye (Blue 56 From Aqueous Solution via Adsorption onto Pistachio Shell: kinetic and isotherm study of removal process

    Directory of Open Access Journals (Sweden)

    A. Ravanpaykar

    2012-03-01

    Full Text Available In the present investigation, shells of pistachio are used as adsorbents and they have been successfully used for the removal of Blue 56, from water samples. The effect of various parameters such as: pH, amounts of adsorbents, size of adsorbent particles and contact time on removal processing were investigated. Inthisstudy Freundlichabsorptionisotherms and Langmuir were investigated. The experimental data were correlated reasonably well by the Freundlich adsorption isotherm and isotherm parameters were calculated. In order to investigate the efficiency of Blue 56 adsorption on the pistachio shell, pseudo-first-order, pseudo-second-order, Elovich and intra-particle diffusion kinetic models were studied. Themodel that hadgoodcorrelationtoattractFreundlichwas chosenasthemodel. Its kineticsfollowsthepseudosecond order reaction.

  18. Multidimensional Poverty Indices and First Order Dominance Techniques: An Empirical Comparison of Different Approaches

    DEFF Research Database (Denmark)

    Hussain, M. Azhar; Permanyer, Iñaki

    2017-01-01

    In this paper we contrast different perspectives to the measurement of multidimensional poverty. Using data from 38 Demographic and Health Surveys around the developing world, we have compared the performance of two broad approaches: multidimensional poverty indices and first order dominance...... techniques (FOD). Our empirical findings suggest that the FOD approach might be a reasonable cost-effective alternative to the United Nations Development Program (UNDP)’s flagship poverty indicator: the Multidimensional Poverty Index (MPI). To the extent that the FOD approach is able to uncover the socio...

  19. Poverty Mapping Based on First-Order Dominance with an Example from Mozambique

    DEFF Research Database (Denmark)

    Arndt, Thomas Channing; Hussain, M. Azhar; Salvucci, Vincenzo

    2016-01-01

    We explore a novel first-order dominance (FOD) approach to poverty mapping and compare its properties to small-area estimation. The FOD approach uses census data directly, is straightforward to implement, is multidimensional allowing for a broad conception of welfare and accounts rigorously...... for welfare distributions in both levels and trends. An application to Mozambique highlights the value of the approach, including its advantages in the monitoring and evaluation of public expenditures. We conclude that the FOD approach to poverty mapping constitutes a useful addition to the toolkit of policy...

  20. Lie Symmetry Analysis of a First-Order Feedback Model of Option Pricing

    Directory of Open Access Journals (Sweden)

    Winter Sinkala

    2015-01-01

    Full Text Available A first-order feedback model of option pricing consisting of a coupled system of two PDEs, a nonliner generalised Black-Scholes equation and the classical Black-Scholes equation, is studied using Lie symmetry analysis. This model arises as an extension of the classical Black-Scholes model when liquidity is incorporated into the market. We compute the admitted Lie point symmetries of the system and construct an optimal system of the associated one-dimensional subalgebras. We also construct some invariant solutions of the model.

  1. Solution of the first order linear fuzzy differential equations by some reliable methods

    Directory of Open Access Journals (Sweden)

    Mojtaba Ghanbari

    2012-10-01

    Full Text Available Fuzzy differential equations are used in modeling problems in science and engineering. For instance, it is known that the knowledge of dynamical systems modeled by ordinary differential equations is often incomplete or vague. While, fuzzy differential equations represent a proper way to model dynamical systems under uncertainty and vagueness. In this paper, two methods for solving first order linear fuzzy differential equations under generalized differentiability are proposed and compared. These methods are variational iteration method (VIM and Adomian decomposition method (ADM. The comparison of the exact solutions with solutions obtained by VIM and ADM are in details. The comparison shows that solutions are excellent agreement.

  2. Determination of triclosan in antiperspirant gels by first-order derivative spectrophotometry.

    Science.gov (United States)

    Du, Lina; Li, Miao; Jin, Yiguang

    2011-10-01

    A first-order derivative UV spectrophotometric method was developed to determine triclosan, a broad-spectrum antimicrobial agent, in health care products containing fragrances which could interfere the determination as impurities. Different extraction methods were compared. Triclosan was extracted with chloroform and diluted with ethanol followed by the derivative spectrophotometric measurement. The interference of fragrances was completely eliminated. The calibration graph was found to be linear in the range of 7.5-45 microg x mL(-1). The method is simple, rapid, sensitive and proper to determine triclosan in fragrance-containing health care products.

  3. First-order systems of linear partial differential equations: normal forms, canonical systems, transform methods

    Directory of Open Access Journals (Sweden)

    Heinz Toparkus

    2014-04-01

    Full Text Available In this paper we consider first-order systems with constant coefficients for two real-valued functions of two real variables. This is both a problem in itself, as well as an alternative view of the classical linear partial differential equations of second order with constant coefficients. The classification of the systems is done using elementary methods of linear algebra. Each type presents its special canonical form in the associated characteristic coordinate system. Then you can formulate initial value problems in appropriate basic areas, and you can try to achieve a solution of these problems by means of transform methods.

  4. Ab-initio Based Analytical Evaluation of Entropy in Magnetocaloric Materials with First Order Phase Transitions

    Science.gov (United States)

    Piazzi, Marco; Zemen, Jan; Basso, Vittorio

    We combine spin polarised density functional theory and thermodynamic mean field theory to describe the phase transitions of antiperovskite manganese nitrides. We find that the inclusion of the localized spin contribution to the entropy, evaluated through mean field theory, lowers the transition temperatures. Furthermore, we show that the electronic entropy leads to first order phase transitions in agreement with experiments whereas the localized spin contribution adds second order character to the transition. We compare our predictions to available experimental data to assess the validity of the assumptions underpinning our multilevel modelling.

  5. A Preconditioning Technique for First-Order Primal-Dual Splitting Method in Convex Optimization

    Directory of Open Access Journals (Sweden)

    Meng Wen

    2017-01-01

    Full Text Available We introduce a preconditioning technique for the first-order primal-dual splitting method. The primal-dual splitting method offers a very general framework for solving a large class of optimization problems arising in image processing. The key idea of the preconditioning technique is that the constant iterative parameters are updated self-adaptively in the iteration process. We also give a simple and easy way to choose the diagonal preconditioners while the convergence of the iterative algorithm is maintained. The efficiency of the proposed method is demonstrated on an image denoising problem. Numerical results show that the preconditioned iterative algorithm performs better than the original one.

  6. An Implementable First-Order Primal-Dual Algorithm for Structured Convex Optimization

    Directory of Open Access Journals (Sweden)

    Feng Ma

    2014-01-01

    Full Text Available Many application problems of practical interest can be posed as structured convex optimization models. In this paper, we study a new first-order primaldual algorithm. The method can be easily implementable, provided that the resolvent operators of the component objective functions are simple to evaluate. We show that the proposed method can be interpreted as a proximal point algorithm with a customized metric proximal parameter. Convergence property is established under the analytic contraction framework. Finally, we verify the efficiency of the algorithm by solving the stable principal component pursuit problem.

  7. First-Order Transitions and the Magnetic Phase Diagram of CeSb

    DEFF Research Database (Denmark)

    Lebech, Bente; Clausen, Kurt Nørgaard; Vogt, O.

    1980-01-01

    might exist in the magnetic phase diagram of CeSb at 16K for a field of approximately 0.3 T. The present study concludes that the transitions from the paramagnetic to the magnetically ordered states are of first order for fields below 0.8 T. Within the experimental accuracy no change has been observed......The high-temperature (14-17K) low-magnetic field (0-0.8 T) region of the phase diagram of the anomalous antiferromagnet CeSb has been reinvestigated by neutron diffraction in an attempt to locate a possible tricritical point. Previous neutron diffraction studies indicated that a tricritical point...

  8. Knowledge Representation for Lexical Semantics Is Standard First Order Logic Enough?

    CERN Document Server

    Light, M; Rochester, U; Light, Marc; Schubert, Lenhart; Rochester, University of

    1994-01-01

    Natural language understanding applications such as interactive planning and face-to-face translation require extensive inferencing. Many of these inferences are based on the meaning of particular open class words. Providing a representation that can support such lexically-based inferences is a primary concern of lexical semantics. The representation language of first order logic has well-understood semantics and a multitude of inferencing systems have been implemented for it. Thus it is a prime candidate to serve as a lexical semantics representation. However, we argue that FOL, although a good starting point, needs to be extended before it can efficiently and concisely support all the lexically-based inferences needed.

  9. Commissioning of a first-order matched transition jump at the Brookhaven Relativistic Heavy Ion Collider

    Directory of Open Access Journals (Sweden)

    C. Montag

    2004-01-01

    Full Text Available When accelerating gold ions in the Relativistic Heavy Ion Collider (RHIC the transition energy must be crossed. For this purpose, RHIC uses a set of correction quadrupoles and special power supplies which can reverse polarity in less than 40 ms. These quadrupoles are used to produce dispersion bumps which increase the transition energy as the beam approaches transition. The change of polarity will then jump the transition energy across the beam energy. This paper describes the commissioning of the RHIC first-order matched transition crossing system.

  10. First-order, worldwide, ionospheric, time-delay algorithm. Air force surveys in geophysics

    Energy Technology Data Exchange (ETDEWEB)

    Klobuchar, J.A.

    1975-09-25

    A first-order model algorithm designed to reduce ionospheric time-delay errors by approximately 50% rms on a world-wide basis for single frequency users of the Global Positioning Systen/NAVSTAR is described. The algorithm was designed for greatest accuracy during times of day when ionospheric time-delay errors are expected to be largest. The algorithm is available in several options, from one which requires only a monthly mean solar-flux value to one which requires 9 daily or monthly update coefficients. Several approximations also are made in the geometry calculations to reduce further operational user computer storage and running time requirements. (auth)

  11. Polarization Switching in Ferroelectric Thin Films Undergoing First-Order Phase Transitions

    Directory of Open Access Journals (Sweden)

    L. A. Bakaleinikov

    2010-01-01

    Full Text Available The main switching properties in ferroelectrics undergoing first-order phase transitions are simulated within the framework of the extended Ishibashi dipole-lattice model including the dipole-dipole interaction in a two-dimensional case for ferroelectric nanoscale objects. The peculiarities of the temperature dependence of the switching rate and the pyroelectric coefficient are discussed in the range of coexistence of the metastable states. The used coefficients of the long-range and short-range interactions between the dipoles are taken from the dielectric and structure measurements in BaTiO3.

  12. Finitely Axiomatized Set Theory: a nonclassical first-order theory implying ZF

    OpenAIRE

    Cabbolet, Marcoen

    2014-01-01

    It is well-known that a finite axiomatization of Zermelo-Fraenkel set theory (ZF) is not possible in the same first-order language. In this note we show that a finite axiomatization is possible if we extent the language of ZF with the new logical concept of 'universal quantification over a family of variables indexed in an arbitrary set X' and with a concept of generalized disjunction. We axiomatically introduce Finitely Axiomatized Set Theory (FAST), which consists of eleven theorems of ZF p...

  13. Self-Organized Bistability Associated with First-Order Phase Transitions

    Science.gov (United States)

    di Santo, Serena; Burioni, Raffaella; Vezzani, Alessandro; Muñoz, Miguel A.

    2016-06-01

    Self-organized criticality elucidates the conditions under which physical and biological systems tune themselves to the edge of a second-order phase transition, with scale invariance. Motivated by the empirical observation of bimodal distributions of activity in neuroscience and other fields, we propose and analyze a theory for the self-organization to the point of phase coexistence in systems exhibiting a first-order phase transition. It explains the emergence of regular avalanches with attributes of scale invariance that coexist with huge anomalous ones, with realizations in many fields.

  14. First-order aerodynamic and aeroelastic behavior of a single-blade installation setup

    DEFF Research Database (Denmark)

    Gaunaa, Mac; Bergami, Leonardo; Guntur, Srinivas

    2014-01-01

    the first-order aerodynamic and aeroelastic behavior of a single blade installation system, where the blade is grabbed by a yoke, which is lifted by the crane and stabilized by two taglines. A simple engineering model is formulated to describe the aerodynamic forcing on the blade subject to turbulent wind...... of arbitrary direction. The model is coupled with a schematic aeroelastic representation of the taglines system, which returns the minimum line tension required to compensate for the aerodynamic forcing. The simplified models are in excellent agreement with the aeroelastic code HAWC2, and provide a solid basis...

  15. Some New First-Order All-Pass Realizations Using CCII

    Directory of Open Access Journals (Sweden)

    Kirat Pal

    2004-01-01

    Full Text Available Some new first-order all-pass filters using a second-generation current conveyor are reported. Two circuits have higher input impedance than reported very recently and use a grounded capacitor. Additionally two more circuits have been reported, one of which has minimum passive and active components and has the facility of single resistance tuning. The other circuit has high input impedance and uses two current conveyors but has one passive component less than the similar circuits reported earlier.

  16. Some remarks on real numbers induced by first-order spectra

    DEFF Research Database (Denmark)

    Jakobsen, Sune; Simonsen, Jakob Grue

    2016-01-01

    The spectrum of a first-order sentence is the set of natural numbers occurring as the cardinalities of finite models of the sentence. In a recent survey, Durand et al. introduce a new class of real numbers, the spectral reals, induced by spectra and pose two open problems associated to this class...... may occur, and (iv) every right-computable real number between 0 and 1 occurs as the subword entropy of a spectral real. In addition, Durand et al. note that the set of spectral reals is not closed under addition or multiplication. We extend this result by showing that the class of spectral reals...

  17. General first-order mass ladder operators for Klein–Gordon fields

    Science.gov (United States)

    Cardoso, Vitor; Houri, Tsuyoshi; Kimura, Masashi

    2018-01-01

    We study the ladder operator on scalar fields, mapping a solution of the Klein–Gordon equation onto another solution with a different mass, when the operator is at most first order in derivatives. Imposing the commutation relation between the d’Alembertian, we obtain the general condition for the ladder operator, which contains a non-trivial case which was not discussed in the previous work (Cardoso et al 2017 Phys. Rev. D 96 024044). We also discuss the relation with supersymmetric quantum mechanics.

  18. New Gain Controllable Resistor-less Current-mode First Order Allpass Filter and its Application

    Directory of Open Access Journals (Sweden)

    W. Jaikla

    2012-04-01

    Full Text Available New first order allpass filter (APF in current mode, constructed from 2 CCCCTAs and grounded capacitor, is presented. The current gain and phase shift can be electronically /orthogonally controlled. Low input and high output impedances are achieved which make the circuit to be easily cascaded to the current-mode circuit without additional current buffers. The operation of the proposed filter has been verified through simulation results which confirm the theoretical analysis. The application example as current-mode quadrature oscillator with non-interactive current control for both of oscillation condition and oscillation frequency is included to show the usability of the proposed filter.

  19. Re-Investigation of Generalized Integrator Based Filters From a First-Order-System Perspective

    DEFF Research Database (Denmark)

    Xin, Zhen; Zhao, Rende; Mattavelli, Paolo

    2016-01-01

    The generalized integrator (GI)-based filters can be categorized into two types: one is related to quadrature signal generator (QSG), and the other is related to sequence filter (SF). The QSG is used for generating the in-quadrature sinusoidal signals and the SF works for extracting the symmetrical...... extended structures and thus restrict their applications. To overcome the drawback, this paper uses the first-order-system concept to re-investigate the GI-based filters, with which their working principles can be intuitively understood and their structure correlations can be easily discovered. Moreover...

  20. Ni (II) adsorption onto Chrysanthemum indicum: Influencing factors, isotherms, kinetics, and thermodynamics.

    Science.gov (United States)

    Vilvanathan, Sowmya; Shanthakumar, S

    2016-10-02

    The study explores the adsorption potential of Chrysanthemum indicum biomass for nickel ion removal from aqueous solution. C. indicum flowers in raw (CIF-I) and biochar (CIF-II) forms were used as adsorbents in this study. Batch experiments were conducted to ascertain the optimum conditions of solution pH, adsorbent dosage, contact time, and temperature for varying initial Ni(II) ion concentrations. Surface area, surface morphology, and functionality of the adsorbents were characterized by Brunauer, Emmett, and Teller (BET) surface analysis, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and Fourier transform infrared spectroscopy (FTIR). Adsorption kinetics were modeled using pseudo-first order, pseudo-second order, Elovich, intraparticle diffusion, Bangham's, and Boyd's plot. The equilibrium data were modeled using Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich (D-R) isotherm models. Experimental data provided the best fit to pseudo-second-order kinetic model and Langmuir isotherm model for the adsorption of Ni(II) ion on both CIF-I and CIF-II with maximum adsorption capacities of 23.97 and 44.02 mg g(-1), respectively. Thermodynamic analysis of the data proved the process to be spontaneous and endothermic in nature. Desorption studies were conducted to evaluate the possibility of reusing the adsorbents. Findings of the present study provide substantial evidence for the use of C. indicum flower as an eco-friendly and potential adsorbent for the removal of Ni(II) ions from aqueous solution.

  1. EQUILIBRIUM AND KINETIC STUDY OF ADSORPTION OF NICKEL FROM AQUEOUS SOLUTION ONTO BAEL TREE LEAF POWDER

    Directory of Open Access Journals (Sweden)

    P. SENTHIL KUMAR

    2009-12-01

    Full Text Available The ability of bael tree (BT leaf powder to adsorb nickel, Ni2+, from aqueous solutions has been investigated through batch experiments. The Ni2+ adsorption was found to be dependent on adsorbent dosage, initial concentration and contact time. All batch experiments were carried out at natural solution pH and at a constant temperature of 30°C using wrist-action shaker that operated at 120 rpm. The experimental isotherm data were analyzed using the Langmuir, Freundlich and Temkin equations. The monolayer adsorption capacity is 1.527 mg Ni per g BT leaf powder. The experiments showed that highest removal rate was 60.21% for Ni2+ under optimal conditions. The kinetic processes of Ni2+ adsorption on BT leaf powder were described by applying pseudo-first-order and pseudo-second-order rate equations. The kinetic data for the adsorption process obeyed pseudo-second-order rate equations. The BT leaf powder investigated in this study exhibited a high potential for the removal of Ni2+ from aqueous solution.

  2. Efficient removal of cadmium using magnetic multiwalled carbon nanotube nanoadsorbents: equilibrium, kinetic, and thermodynamic study

    Science.gov (United States)

    Pashai Gatabi, Maliheh; Milani Moghaddam, Hossain; Ghorbani, Mohsen

    2016-07-01

    Adsorptive potential of maghemite decorated multiwalled carbon nanotubes (MWCNTs) for the removal of cadmium ions from aqueous solution was investigated. The magnetic nanoadsorbent was synthesized using a versatile and cost effective chemical route. Structural, magnetic and surface charge properties of the adsorbent were characterized using FTIR, XRD, TEM, VSM analysis and pHPZC determination. Batch adsorption experiments were performed under varied system parameters such as pH, contact time, initial cadmium concentration and temperature. Highest cadmium adsorption was obtained at pH 8.0 and contact time of 30 min. Adsorption behavior was kinetically studied using pseudo first-order, pseudo second-order, and Weber-Morris intra particle diffusion models among which data were mostly correlated to pseudo second-order model. Adsorbate-adsorbent interactions as a function of temperature was assessed by Langmuir, Freundlich, Dubinin-Radushkevich (D-R) and Temkin isotherm models from which Freundlich model had the highest consistency with the data. The adsorption capacity increased with increasing temperature and maximum Langmuir's adsorption capacity was found to be 78.81 mg g-1 at 298 K. Thermodynamic parameters and activation energy value suggest that the process of cadmium removal was spontaneous and physical in nature, which lead to fast kinetics and high regeneration capability of the nanoadsorbent. Results of this work are of great significance for environmental applications of magnetic MWCNTs as promising adsorbent for heavy metals removal from aqueous solutions.

  3. Adsorption isotherm, kinetic and mechanism of expanded graphite for sulfadiazine antibiotics removal from aqueous solutions.

    Science.gov (United States)

    Zhang, Ling; Wang, Yong; Jin, SuWan; Lu, QunZan; Ji, Jiang

    2017-10-01

    The adsorption of sulfadiazine from water by expanded graphite (EG), a low cost and environmental-friendly adsorbent, was investigated. Several adsorption parameters (including the initial sulfadiazine concentration, contact time, pH of solution, ionic strength and temperature) were studied. Results of equilibrium experiments indicated that adsorption of sulfadiazine onto EG were better described by the Langmuir and Tempkin models than by the Freundlich model. The maximum adsorption capacity is calculated to be 16.586 mg/g at 298 K. The kinetic data were analyzed by pseudo-first-order, pseudo-second-order and intraparticle models. The results indicated that the adsorption process followed pseudo-second-order kinetics and may be controlled by two steps. Moreover, the pH significantly influenced the adsorption process, with the relatively high adsorption capacity at pH 2-10. The electrostatic and hydrophobic interactions are manifested to be two main mechanisms for sulfadiazine adsorption of EG. Meanwhile, the ionic concentration of Cl - slightly impacted the removal of sulfadiazine. Results of thermodynamics analysis showed spontaneous and exothermic nature of sulfadiazine adsorption on EG. In addition, regeneration experiments imply that the saturated EG could be reused for sulfadiazine removal by immersing sodium hydroxide.

  4. Kinetics, equilibrium data and modeling studies for the sorption of chromium by Prosopis juliflora bark carbon

    Directory of Open Access Journals (Sweden)

    M. Kumar

    2017-05-01

    Full Text Available In this study, the activated carbon was prepared from Prosopis juliflora bark as a novel adsorbent. Removal of chromium (Cr was assessed by varying the parameters like metal concentration, temperature, pH, adsorbent dose and contact time. The feasibility of the sorption was studied using Freundlich and Langmuir isotherms including linear and non-linear regression methods. In Langmuir, various forms of linearized equations were evaluated. The isotherm parameter of dimensionless separation factor (RL was also studied. The kinetics of adsorption was studied by using Lagergren’s pseudo-first order and pseudo-second order equations and the results have shown that the adsorption process follows pseudo-second order kinetics and the adsorption process depends on both time and concentration. The mechanistic pathway of the adsorption process was evaluated with intraparticle diffusion model. The effect of heat of adsorption of the adsorbate onto the adsorbent material was determined using the thermodynamic parameters and the reusability of the adsorbent materials was ascertained with desorption studies. The adsorbent material characterization was done by using Fourier Transform Infrared Spectroscopy (FTIR, X-ray Diffraction (XRD method and morphology of the surface of adsorbent was identified with Scanning Electron Microscope (SEM.

  5. Adsorption studies of molasse's wastewaters on activated carbon: modelling with a new fractal kinetic equation and evaluation of kinetic models.

    Science.gov (United States)

    Figaro, S; Avril, J P; Brouers, F; Ouensanga, A; Gaspard, S

    2009-01-30

    Adsorption kinetic of molasses wastewaters after anaerobic digestion (MSWD) and melanoidin respectively on activated carbon was studied at different pH. The kinetic parameters could be determined using classical kinetic equations and a recently published fractal kinetic equation. A linear form of this equation can also be used to fit adsorption data. Even with lower correlation coefficients the fractal kinetic equation gives lower normalized standard deviation values than the pseudo-second order model generally used to fit adsorption kinetic data, indicating that the fractal kinetic model is much more accurate for describing the kinetic adsorption data than the pseudo-second order kinetic model.

  6. First-Order-hold interpolation digital-to-analog converter with application to aircraft simulation

    Science.gov (United States)

    Cleveland, W. B.

    1976-01-01

    Those who design piloted aircraft simulations must contend with the finite size and speed of the available digital computer and the requirement for simulation reality. With a fixed computational plant, the more complex the model, the more computing cycle time is required. While increasing the cycle time may not degrade the fidelity of the simulated aircraft dynamics, the larger steps in the pilot cue feedback variables (such as the visual scene cues), may be disconcerting to the pilot. The first-order-hold interpolation (FOHI) digital-to-analog converter (DAC) is presented as a device which offers smooth output, regardless of cycle time. The Laplace transforms of these three conversion types are developed and their frequency response characteristics and output smoothness are compared. The FOHI DAC exhibits a pure one-cycle delay. Whenever the FOHI DAC input comes from a second-order (or higher) system, a simple computer software technique can be used to compensate for the DAC phase lag. When so compensated, the FOHI DAC has (1) an output signal that is very smooth, (2) a flat frequency response in frequency ranges of interest, and (3) no phase error. When the input comes from a first-order system, software compensation may cause the FOHI DAC to perform as an FOHE DAC, which, although its output is not as smooth as that of the FOHI DAC, has a smoother output than that of the ZOH DAC.

  7. First order flow equations for nonextremal black holes in AdS (super)gravity

    Science.gov (United States)

    Klemm, Dietmar; Rabbiosi, Marco

    2017-10-01

    We consider electrically charged static nonextremal black holes in d-dimensional Einstein-Maxwell-(A)dS gravity, whose horizon is a generic Einstein space in d - 2 dimensions. It is shown that for this system the Hamilton-Jacobi equation is exactly solvable and admits two branches of solutions. One of them exhibits a non-simply connected domain of integration constants and does not reduce to the well-known solution for the d = 4 BPS case. The principal functions generate two first order flows that are analytically different, but support the same general solution. One of the two sets of flow equations corresponds to those found by Lü, Pope and Vázquez-Poritz in hep-th/0307001 and (for d = 4 and Λ = 0) by Miller, Schalm and Weinberg in hep-th/0612308. This clarifies also the reason for the very existence of first order equations for nonextremal black holes, namely, they are just the expressions for the conjugate momenta in terms of derivatives of the principal function in a Hamilton-Jacobi formalism. In the last part of our paper we analyze how much of these integrability properties generalizes to matter-coupled N = 2, d = 4 gauged supergravity.

  8. Model study of intermediate state blocking in first-order optical potential theory

    Science.gov (United States)

    Maung, Khin Maung; Tandy, P. C.

    1983-03-01

    Restrictions on the intermediate states allowed for nucleon-nucleon scattering operators embedded in many-nucleon systems can arise in several circumstances. The most familiar is Pauli blocking of the occupied ground-state levels in the nucleon-nucleon G-matrix for nuclear matter. The corresponding projection operator is QNM=θ(p1-kF)θ(p2-kF). The first-order optical potential from Watson multiple scattering thory involves a nucleon-nucleon scattering operator in which intermediate states of the struck nucleo corresponding to the target ground state are projected out. The corresponding projection operator is Q=1-‖φ0≳<φ0‖ where ‖σ0≳ is the target ground state. These statess are introduced elsewhere in the theory, namely, when the optical potential is used in the wave equation for elastic scattering. These latter modifications of intermediate states are not related to the Pauli principle since they operate also for a system of bosons, yet when applied to the scattering problem the operator QNM is qualitatively similar to Q. A simple model of the free NN t-matrix is employed to study and compare the effects of intermediate-state modifications through both these operators. Particular attention is paid to the unitarity properties of the resulting modified NN scatterig operator for first-order optical potentials.

  9. Dynamic Off-Equilibrium Transition in Systems Slowly Driven across Thermal First-Order Phase Transitions.

    Science.gov (United States)

    Pelissetto, Andrea; Vicari, Ettore

    2017-01-20

    We study the off-equilibrium behavior of systems with short-range interactions, slowly driven across a thermal first-order transition, where the equilibrium dynamics is exponentially slow. We consider a dynamics that starts in the high-T phase at time t=t_{i}0 in the low-T phase, with a time-dependent temperature T(t)/T_{c}≈1-t/t_{s}, where t_{s} is the protocol time scale. A general off-equilibrium scaling (OS) behavior emerges in the limit of large t_{s}. We check it at the first-order transition of the two-dimensional q-state Potts model with q=20 and 10. The numerical results show evidence of a dynamic transition, where the OS functions show a spinodal-like singularity. Therefore, the general mean-field picture valid for systems with long-range interactions is qualitatively recovered, provided the time dependence is appropriately (logarithmically) rescaled.

  10. Deterministic simulation of first-order scattering in virtual X-ray imaging

    Energy Technology Data Exchange (ETDEWEB)

    Freud, N. E-mail: nicolas.freud@insa-lyon.fr; Duvauchelle, P.; Pistrui-Maximean, S.A.; Letang, J.-M.; Babot, D

    2004-07-01

    A deterministic algorithm is proposed to compute the contribution of first-order Compton- and Rayleigh-scattered radiation in X-ray imaging. This algorithm has been implemented in a simulation code named virtual X-ray imaging. The physical models chosen to account for photon scattering are the well-known form factor and incoherent scattering function approximations, which are recalled in this paper and whose limits of validity are briefly discussed. The proposed algorithm, based on a voxel discretization of the inspected object, is presented in detail, as well as its results in simple configurations, which are shown to converge when the sampling steps are chosen sufficiently small. Simple criteria for choosing correct sampling steps (voxel and pixel size) are established. The order of magnitude of the computation time necessary to simulate first-order scattering images amounts to hours with a PC architecture and can even be decreased down to minutes, if only a profile is computed (along a linear detector). Finally, the results obtained with the proposed algorithm are compared to the ones given by the Monte Carlo code Geant4 and found to be in excellent accordance, which constitutes a validation of our algorithm. The advantages and drawbacks of the proposed deterministic method versus the Monte Carlo method are briefly discussed.

  11. Enhanced Modeling of First-Order Plant Equations of Motion for Aeroelastic and Aeroservoelastic Applications

    Science.gov (United States)

    Pototzky, Anthony S.

    2010-01-01

    A methodology is described for generating first-order plant equations of motion for aeroelastic and aeroservoelastic applications. The description begins with the process of generating data files representing specialized mode-shapes, such as rigid-body and control surface modes, using both PATRAN and NASTRAN analysis. NASTRAN executes the 146 solution sequence using numerous Direct Matrix Abstraction Program (DMAP) calls to import the mode-shape files and to perform the aeroelastic response analysis. The aeroelastic response analysis calculates and extracts structural frequencies, generalized masses, frequency-dependent generalized aerodynamic force (GAF) coefficients, sensor deflections and load coefficients data as text-formatted data files. The data files are then re-sequenced and re-formatted using a custom written FORTRAN program. The text-formatted data files are stored and coefficients for s-plane equations are fitted to the frequency-dependent GAF coefficients using two Interactions of Structures, Aerodynamics and Controls (ISAC) programs. With tabular files from stored data created by ISAC, MATLAB generates the first-order aeroservoelastic plant equations of motion. These equations include control-surface actuator, turbulence, sensor and load modeling. Altitude varying root-locus plot and PSD plot results for a model of the F-18 aircraft are presented to demonstrate the capability.

  12. COMPARISON OF PI CONTROLLER PERFORMANCE FOR FIRST ORDER SYSTEMS WITH TIME DELAY

    Directory of Open Access Journals (Sweden)

    RAMAKOTESWARA RAO ALLA

    2017-04-01

    Full Text Available Delays appear often in all real world engineering systems. Delay systems have the property that the rate of variation in the system state depends on the previous states also. They are frequently a source of instability and poor system performance. In order to get the required performance from the delay system controller design plays a vital role. Because of the robust nature, easy structure Proportional Integral Derivative (PID controllers are extensively used in many industrial loops. Parameter tuning of the PID controller is an essential task. Numerous industrial processes, whose transfer function is of first order, can be easily controlled with PI controllers. This paper presents the comparative analysis of an approach based on Lambert W function for PI controller design for first order systems with time delay among Smith predictor (SP and ZeiglerNichols (ZN methods of design. Performance of the considered methods in terms of various performance specifications through simulation results has been illustrated. Results demonstrate that the Lambert W function based PI tuning results in adequate performance compared to other methods with respect to parameters settling time, overshoot, errors, etc.

  13. Echoes of inflationary first-order phase transitions in the CMB

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Hongliang, E-mail: hjiangag@connect.ust.hk [Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong Special Administrative Region (Hong Kong); Liu, Tao, E-mail: taoliu@ust.hk [Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong Special Administrative Region (Hong Kong); Sun, Sichun, E-mail: sichun@uw.edu [Jockey Club Institute for Advanced Study, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong Special Administrative Region (Hong Kong); Wang, Yi, E-mail: phyw@ust.hk [Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong Special Administrative Region (Hong Kong)

    2017-02-10

    Cosmological phase transitions (CPTs), such as the Grand Unified Theory (GUT) and the electroweak (EW) ones, play a significant role in both particle physics and cosmology. In this letter, we propose to probe the first-order CPTs, by detecting gravitational waves (GWs) which are generated during the phase transitions through the cosmic microwave background (CMB). If happened around the inflation era, the first-order CPTs may yield low-frequency GWs due to bubble dynamics, leaving imprints on the CMB. In contrast to the nearly scale-invariant primordial GWs caused by vacuum fluctuation, these bubble-generated GWs are scale dependent and have non-trivial B-mode spectra. If decoupled from inflaton, the EWPT during inflation may serve as a probe for the one after reheating where the baryon asymmetry could be generated via EW baryogenesis (EWBG). The CMB thus provides a potential way to test the feasibility of the EWBG, complementary to the collider measurements of Higgs potential and the direct detection of GWs generated during EWPT.

  14. Echoes of inflationary first-order phase transitions in the CMB

    Directory of Open Access Journals (Sweden)

    Hongliang Jiang

    2017-02-01

    Full Text Available Cosmological phase transitions (CPTs, such as the Grand Unified Theory (GUT and the electroweak (EW ones, play a significant role in both particle physics and cosmology. In this letter, we propose to probe the first-order CPTs, by detecting gravitational waves (GWs which are generated during the phase transitions through the cosmic microwave background (CMB. If happened around the inflation era, the first-order CPTs may yield low-frequency GWs due to bubble dynamics, leaving imprints on the CMB. In contrast to the nearly scale-invariant primordial GWs caused by vacuum fluctuation, these bubble-generated GWs are scale dependent and have non-trivial B-mode spectra. If decoupled from inflaton, the EWPT during inflation may serve as a probe for the one after reheating where the baryon asymmetry could be generated via EW baryogenesis (EWBG. The CMB thus provides a potential way to test the feasibility of the EWBG, complementary to the collider measurements of Higgs potential and the direct detection of GWs generated during EWPT.

  15. Numerical study of Potts models with aperiodic modulations: influence on first-order transitions

    Science.gov (United States)

    Branco, Nilton; Girardi, Daniel

    2012-02-01

    We perform a numerical study of Potts models on a rectangular lattice with aperiodic interactions along one spatial direction. The number of states q is such that the transition is a first-order one for the uniform model. The Wolff algorithm is employed, for many lattice sizes, allowing for a finite-size scaling analyses to be carried out. Three different self-dual aperiodic sequences are employed, such that the exact critical temperature is known: this leads to precise results for the exponents. We analyze models with q=6 and 15 and show that the Harris-Luck criterion, originally introduced in the study of continuous transitions, is obeyed also for first-order ones. The new universality class that emerges for relevant aperiodic modulations depends on the number of states of the Potts model, as obtained elsewhere for random disorder, and on the aperiodic sequence. We determine the occurrence of log-periodic behavior, as expected for models with aperiodic modulated interactions.

  16. Aquifer Denitrification: Is it a Zero-Order or First-Order Reaction?

    Science.gov (United States)

    Korom, S. F.

    2007-12-01

    Results from a network of 16 in situ mesocosms (ISMs) used to study aquifer denitrification at 5 sites in North Dakota and 4 sites in Minnesota (with 2 more installations planned for Iowa) are considered. At the Elk Valley aquifer (EVA) site in northeastern North Dakota, denitrification rates from six denitrification experiments were all better modeled as zero-order (0.16 +/- 0.05 mg nitrate-N/L/day), as determined by squared values of the linear correlation coefficient. Denitrification experiments at the other sites showed that denitrification was either below detection (nitrate-N/L/day) or was better modeled as a first-order reaction (0.00021/day to 0.0020/day), although squared values of the linear correlation coefficients for both rate models were nearly equal for some of the experiments. Not only were denitrification rates at the EVA site highest compared to the other sites in the ISM network, but sediment concentrations of electron donors at the EVA site were also greatest [ferrous iron about 0.3%, inorganic S (as pyrite) about 0.4%, organic C about 0.4%, weight basis]. These observations support the Michaelis- Menten model for reaction rates, which indicates that reaction rates will be zero-order when the substrate (electron donor) is abundant and first-order when the substrate availability is limited.

  17. Renormalization-group theory for cooling first-order phase transitions in Potts models.

    Science.gov (United States)

    Liang, Ning; Zhong, Fan

    2017-03-01

    We develop a dynamic field-theoretic renormalization-group (RG) theory for cooling first-order phase transitions in the Potts model. It is suggested that the well-known imaginary fixed points of the q-state Potts model for q>10/3 in the RG theory are the origin of the dynamic scaling found recently from numerical simulations, apart from logarithmic corrections. This indicates that the real and imaginary fixed points of the Potts model are both physical and control the scalings of the continuous and discontinuous phase transitions, respectively, of the model. Our one-loop results for the scaling exponents are already not far away from the numerical results. Further, the scaling exponents depend on q only slightly, consistent with the numerical results. Therefore, the theory is believed to provide a natural explanation of the dynamic scaling including the scaling exponents and their scaling laws for various observables in the cooling first-order phase transition of the Potts model.

  18. Comparison of three combined sequencing batch reactor followed by enhanced Fenton process for an azo dye degradation: Bio-decolorization kinetics study

    Energy Technology Data Exchange (ETDEWEB)

    Azizi, A., E-mail: armina_84@yahoo.com [Civil and Environmental Engineering Department, Amirkabir University of Technology, Hafez Ave., Tehran15875-4413 (Iran, Islamic Republic of); Alavi Moghaddam, M.R., E-mail: alavim@yahoo.com [Civil and Environmental Engineering Department, Amirkabir University of Technology, Hafez Ave., Tehran15875-4413 (Iran, Islamic Republic of); Maknoon, R., E-mail: rmaknoon@yahoo.com [Civil and Environmental Engineering Department, Amirkabir University of Technology, Hafez Ave., Tehran15875-4413 (Iran, Islamic Republic of); Kowsari, E., E-mail: kowsarie@aut.ac.ir [Department of Chemistry, Amirkabir University of Technology, Hafez Ave., Tehran 15875-4413 (Iran, Islamic Republic of)

    2015-12-15

    Highlights: • Three combined advanced SBR and enhanced Fenton process as post treatment was compared. • Higher biomass concentration, dye, COD and metabolites removal was presented together. • Pseudo zero and pseudo first-order bio-decolorization kinetics were observed in all SBRs. • High reduction of AR18 to intermediate metabolites was monitored by HPLC. - Abstract: The purpose of this research was to compare three combined sequencing batch reactor (SBR) – Fenton processes as post-treatment for the treatment of azo dye Acid Red 18 (AR18). Three combined treatment systems (CTS1, CTS2 and CTS3) were operated to investigate the biomass concentration, COD removal, AR18 dye decolorization and kinetics study. The MLSS concentration of CTS2 reached 7200 mg/L due to the use of external feeding in the SBR reactor of CTS2. The COD concentration remained 273 mg/L and 95 mg/L (initial COD = 3270 mg/L) at the end of alternating anaerobic–aerobic SBR with external feeding (An-A MSBR) and CTS2, respectively, resulting in almost 65% of Fenton process efficiency. The dye concentration of 500 mg/L was finally reduced to less than 10 mg/L in all systems indicating almost complete AR18 decolorization, which was also confirmed by UV–vis analysis. The dye was removed following two successive parts as parts 1 and 2 with pseudo zero-order and pseudo first-order kinetics, respectively, in all CTSs. Higher intermediate metabolites degradation was obtained using HPLC analysis in CTS2. Accordingly, a combined treatment system can be proposed as an appropriate and environmentally-friendly system for the treatment of the azo dye AR18 in wastewater.

  19. Kinetics and Mechanism of Oxidation of Triethylene Glycol and Tetraethylene Glycol by Ditelluratoargentate (III in Alkaline Medium

    Directory of Open Access Journals (Sweden)

    Jinhuan Shan

    2013-01-01

    Full Text Available The kinetics of oxidation of triethylene glycol and tetraethylene glycol by ditelluratoargentate (III (DTA in alkaline liquids has been studied spectrophotometrically in the temperature range of 293.2 K–313.2 K. The reaction rate showed first-order dependence in DTA and fractional order with respect to triethylene glycol or tetraethylene glycol. It was found that the pseudo-first-order rate constant (kobs increased with an increase in concentration of OH− and a decrease in concentration of H4TeO6 2−. There was a negative salt effect and no free radicals were detected. A plausible mechanism involving a two-electron transfer was proposed, and the rate equations derived from the mechanism explained all the experimental results and observations. The activation parameters along with the rate constants of the rate-determining step were calculated.

  20. Chemistry of N,N'-dimethylformamidine. II. Hydrolysis: kinetically controlled formation of cis-N-methylformamide

    Energy Technology Data Exchange (ETDEWEB)

    Halliday, J.D.; Symons, E.A.

    1978-06-01

    The hydrolysis of N,N'-dimethylformamidine (DMFA) has been investigated in acid and alkaline aqueous media by /sup 1/H nmr; only a narrow basic pH range could be extensively studied kinetically. The pseudo-first-order k/sub obs/, rose steadily from pH 11.5 to 13.0 (reaction approximately first order in OH/sup -/), then became independent of pH above 13.5 (9.3 x 10/sup -4/ s/sup -1/ at 10/sup 0/C). In contrast to many amidines, DMFA is quite stable in acid solution (estimated value of the pseudo-first-order hydrolysis rate constant is 1.4 x 10/sup -11/ s/sup -1/ at 10/sup 0/C, pH 0.05, from measurements at 100 and 140/sup 0/C). This stability is ascribed to the difficulty of eliminating the fairly stron base methylamine from the tetrahedral intermediate in acid solution. N-Methylformamide (NMF), one of the products, is formed initially as the cis isomer. A somewhat slower conversion then occurs to the thermodynamically more stable trans isomer. This unusual result is explained in terms of Deslongchamps and co-workers' theory of stereo-electronic control for the orbital-assisted breakdown of tetrahedral intermediates. 4 figures, 1 table.

  1. Kinetics and thermodynamics studies of silver ions adsorption onto coconut shell activated carbon.

    Science.gov (United States)

    Silva-Medeiros, Flávia V; Consolin-Filho, Nelson; Xavier de Lima, Mateus; Bazzo, Fernando Previato; Barros, Maria Angélica S D; Bergamasco, Rosângela; Tavares, Célia R G

    2016-12-01

    The presence of silver in the natural water environment has been of great concern because of its toxicity, especially when it is in the free ion form (Ag(+)). This paper aims to study the adsorption kinetics of silver ions from an aqueous solution onto coconut shell activated carbon using batch methods. Batch kinetic data were fitted to the first-order model and the pseudo-second-order model, and this last equation fits correctly the experimental data. Equilibrium experiments were carried out at 30°C, 40°C, and 50°C. The adsorption isotherms were reasonably fit using Langmuir model, and the adsorption process was slightly influenced by changes in temperature. Thermodynamic parameters (ΔH°, ΔG°, and ΔS°) were determined. The adsorption process seems to be non-favorable, exothermic, and have an increase in the orderness.

  2. Analysis for the Sorption Kinetics of Ag Nanoparticles on Natural Clinoptilolite

    Directory of Open Access Journals (Sweden)

    Alvaro Ruíz-Baltazar

    2015-01-01

    Full Text Available The kinetic adsorption behavior of silver nanoparticles deposited on a natural zeolite from Oaxaca is presented. Theoretical models as Lagergren first-order, pseudo-second-order, Elovich, and intraparticle diffusion were employed and compared with experimental data obtained by atomic absorption spectrophotometry technique. Correlation factors R2 of the order of 0.99 were observed. Analysis by transmission electron microscopy revealed that the silver nanoparticles were homogeneously distributed on the zeolite. Additionally, chemical characterization of the material was carried out through a dilution process with lithium metaborate. An average value of 9.3 in the Si/Al ratio was observed and related to the kinetic adsorption behavior of the zeolite.

  3. First-order derivative couplings between excited states from adiabatic TDDFT response theory.

    Science.gov (United States)

    Ou, Qi; Bellchambers, Gregory D; Furche, Filipp; Subotnik, Joseph E

    2015-02-14

    We present a complete derivation of derivative couplings between excited states in the framework of adiabatic time-dependent density functional response theory. Explicit working equations are given and the resulting derivative couplings are compared with derivative couplings from a pseudo-wavefunction ansatz. For degenerate excited states, i.e., close to a conical intersection (CI), the two approaches are identical apart from an antisymmetric overlap term. However, if the difference between two excitation energies equals another excitation energy, the couplings from response theory exhibit an unphysical divergence. This spurious behavior is a result of the adiabatic or static kernel approximation of time-dependent density functional theory leading to an incorrect analytical structure of the quadratic response function. Numerical examples for couplings close to a CI and for well-separated electronic states are given.

  4. Kinetics of biosorption of hazardous metals by green soil supplement

    Science.gov (United States)

    Bagla, Hemlata; Khilnani, Roshan

    2016-04-01

    of the biosorption in terms of the order of the rate constant were studied applying different kinetic models such as First order, Second order, Pseudo-first order, Pseudo-second order and the intra particle diffusion model. But among these models best fitting model was Lagergren pseudo second order model. The correlation coefficients of all the elements have R2 values close to 1 indicating the applicability of pseudo second order model to the present system. The applicability of this model suggested that biosorption of elements under study, on DCP was based on chemical interactions between metals and active sites of biosorbent. References 1. E. Tipping, Cation Binding by Humic Substances. Cambridge University Press, 2002. 2. S. Lagergren, Zur theorie der sogenannten adsorption geloster stoffe. Kungliga Svenska Vetenskapsakademiens, Handlingar vol. 24, no.4, pp. 1-39, 1898. 3. Y. S. Ho and G. McKay, "Pseudo-second order model for sorption processes," Process Biochem., vol. 34, no. 5, pp. 451-465, Jul. 1999. 4. N. S. Barot and H. K. Bagla, "Extraction of humic acid from biological matrix - dry cow dung powder," Green Chem. Lett. Rev., vol. 2, no. 4, pp. 217-221, 2009.

  5. Magnetization reversal in kagome artificial spin ice studied by first-order reversal curves

    Science.gov (United States)

    Sun, L.; Zhou, C.; Liang, J. H.; Xing, T.; Lei, N.; Murray, P.; Liu, Kai; Won, C.; Wu, Y. Z.

    2017-10-01

    Magnetization reversal of interconnected kagome artificial spin ice was studied by the first-order reversal curve (FORC) technique based on the magneto-optical Kerr effect and magnetoresistance measurements. The magnetization reversal exhibits a distinct sixfold symmetry with the external field orientation. When the field is parallel to one of the nano-bar branches, the domain nucleation/propagation and annihilation processes sensitively depend on the field cycling history and the maximum field applied. When the field is nearly perpendicular to one of the branches, the FORC measurement reveals the magnetic interaction between the Dirac strings and orthogonal branches during the magnetization reversal process. Our results demonstrate that the FORC approach provides a comprehensive framework for understanding the magnetic interaction in the magnetization reversal processes of spin-frustrated systems.

  6. Classical solutions of mixed problems for quasilinear first order PFDEs on a cylindrical domain

    Directory of Open Access Journals (Sweden)

    Wojciech Czernous

    2014-01-01

    Full Text Available We abandon the setting of the domain as a Cartesian product of real intervals, customary for first order PFDEs (partial functional differential equations with initial boundary conditions. We give a new set of conditions on the possibly unbounded domain \\(\\Omega\\ with Lipschitz differentiable boundary. Well-posedness is then reliant on a variant of the normal vector condition. There is a neighbourhood of \\(\\partial\\Omega\\ with the property that if a characteristic trajectory has a point therein, then its every earlier point lies there as well. With local assumptions on coefficients and on the free term, we prove existence and Lipschitz dependence on data of classical solutions on \\((0,c\\times\\Omega\\ to the initial boundary value problem, for small \\(c\\. Regularity of solutions matches this domain, and the proof uses the Banach fixed-point theorem. Our general model of functional dependence covers problems with deviating arguments and integro-differential equations.

  7. First-Order Hyperbolic System Method for Time-Dependent Advection-Diffusion Problems

    Science.gov (United States)

    Mazaheri, Alireza; Nishikawa, Hiroaki

    2014-01-01

    A time-dependent extension of the first-order hyperbolic system method for advection-diffusion problems is introduced. Diffusive/viscous terms are written and discretized as a hyperbolic system, which recovers the original equation in the steady state. The resulting scheme offers advantages over traditional schemes: a dramatic simplification in the discretization, high-order accuracy in the solution gradients, and orders-of-magnitude convergence acceleration. The hyperbolic advection-diffusion system is discretized by the second-order upwind residual-distribution scheme in a unified manner, and the system of implicit-residual-equations is solved by Newton's method over every physical time step. The numerical results are presented for linear and nonlinear advection-diffusion problems, demonstrating solutions and gradients produced to the same order of accuracy, with rapid convergence over each physical time step, typically less than five Newton iterations.

  8. First-order phase transition and tricritical point in multiband U (1 ) London superconductors

    Science.gov (United States)

    Sellin, Karl A. H.; Babaev, Egor

    2016-02-01

    The order of the superconducting phase transition is a classical problem. Single-component type-2 superconductors exhibit a continuous "inverted-X Y " phase transition, as was first demonstrated for U (1 ) lattice London superconductors by a celebrated duality mapping with subsequent backing by numerical simulations. Here we study this problem in multiband U (1 ) London superconductors and find evidence that by contrast the model has a tricritical point. The superconducting phase transition becomes first order when the Josephson length is sufficiently large compared to the magnetic field penetration length. We present evidence that the fluctuation-induced dipolar interaction between vortex loops makes the phase transition discontinuous. We discuss that this mechanism is also relevant for the phase transitions in multicomponent gauge theories with higher broken symmetry.

  9. First-order convex feasibility algorithms for x-ray CT

    DEFF Research Database (Denmark)

    Sidky, Emil Y.; Jørgensen, Jakob Heide; Pan, Xiaochuan

    2013-01-01

    . In this paper, we develop IIR algorithms which solve a certain type of optimization called convex feasibility. The convex feasibility approach can provide alternatives to unconstrained optimization approaches and at the same time allow for rapidly convergent algorithms for their solution—thereby facilitating...... problems. Conclusions: Formulation of convex feasibility problems can provide a useful alternative to unconstrained optimization when designing IIR algorithms for CT. The approach is amenable to recent methods for accelerating first-order algorithms which may be particularly useful for CT with limited......Purpose: Iterative image reconstruction (IIR) algorithms in computed tomography (CT) are based on algorithms for solving a particular optimization problem. Design of the IIR algorithm, therefore, is aided by knowledge of the solution to the optimization problem on which it is based. Often times...

  10. Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2)

    Science.gov (United States)

    Schütz, Martin

    2015-06-01

    We describe theory and implementation of oscillator strengths, orbital-relaxed first-order properties, and nuclear gradients for the local algebraic diagrammatic construction scheme through second order. The formalism is derived via time-dependent linear response theory based on a second-order unitary coupled cluster model. The implementation presented here is a modification of our previously developed algorithms for Laplace transform based local time-dependent coupled cluster linear response (CC2LR); the local approximations thus are state specific and adaptive. The symmetry of the Jacobian leads to considerable simplifications relative to the local CC2LR method; as a result, a gradient evaluation is about four times less expensive. Test calculations show that in geometry optimizations, usually very similar geometries are obtained as with the local CC2LR method (provided that a second-order method is applicable). As an exemplary application, we performed geometry optimizations on the low-lying singlet states of chlorophyllide a.

  11. Periodic solutions of first-order functional differential equations in population dynamics

    CERN Document Server

    Padhi, Seshadev; Srinivasu, P D N

    2014-01-01

    This book provides cutting-edge results on the existence of multiple positive periodic solutions of first-order functional differential equations. It demonstrates how the Leggett-Williams fixed-point theorem can be applied to study the existence of two or three positive periodic solutions of functional differential equations with real-world applications, particularly with regard to the Lasota-Wazewska model, the Hematopoiesis model, the Nicholsons Blowflies model, and some models with Allee effects. Many interesting sufficient conditions are given for the dynamics that include nonlinear characteristics exhibited by population models. The last chapter provides results related to the global appeal of solutions to the models considered in the earlier chapters. The techniques used in this book can be easily understood by anyone with a basic knowledge of analysis. This book offers a valuable reference guide for students and researchers in the field of differential equations with applications to biology, ecology, a...

  12. Gravitational waves from the sound of a first order phase transition.

    Science.gov (United States)

    Hindmarsh, Mark; Huber, Stephan J; Rummukainen, Kari; Weir, David J

    2014-01-31

    We report on the first three-dimensional numerical simulations of first-order phase transitions in the early Universe to include the cosmic fluid as well as the scalar field order parameter. We calculate the gravitational wave (GW) spectrum resulting from the nucleation, expansion, and collision of bubbles of the low-temperature phase, for phase transition strengths and bubble wall velocities covering many cases of interest. We find that the compression waves in the fluid continue to be a source of GWs long after the bubbles have merged, a new effect not taken properly into account in previous modeling of the GW source. For a wide range of models, the main source of the GWs produced by a phase transition is, therefore, the sound the bubbles make.

  13. First-order superconducting transition in the inter-band model

    Energy Technology Data Exchange (ETDEWEB)

    Gomes da Silva, M. [Universidade Federal do Amazonas, Departamento de Física, 3000, Japiim, 69077-00 Manaus, AM (Brazil); Instituto Federal de Educação Ciência e Tecnologia do Amazonas, Av. 7 de Setembro, 1975 - Centro, Manaus, AM 69020-120 (Brazil); Dinóla Neto, F., E-mail: dinola@ufam.edu.br [Universidade Federal do Amazonas, Departamento de Física, 3000, Japiim, 69077-00 Manaus, AM (Brazil); Padilha, I.T. [Universidade Federal do Amazonas, Departamento de Física, 3000, Japiim, 69077-00 Manaus, AM (Brazil); Ricardo de Sousa, J. [Universidade Federal do Amazonas, Departamento de Física, 3000, Japiim, 69077-00 Manaus, AM (Brazil); National Institute of Science and Technology for Complex Systems, Universidade Federal do Amazonas, 3000, Japiim, 69077-000 Manaus, AM (Brazil); Continentino, M.A. [Centro Brasileiro de Pesquisas Físicas, 22290-180 Rio de Janeiro, RJ (Brazil)

    2014-04-01

    The comprehension about the theoretical features of superconductivity is an interesting and fundamental topic in condensed matter physics. Several theoretical proposals were considered to describe the new classes of superconducting compounds and alloys. In this work we propose to study a non-conventional superconducting system where the Cooper pairs are formed by fermions from different bands described via two band model with hybridization. In this inter-band scenario we find a first-order phase transition at low temperatures and we observe a tricritical point in the phase diagram. In our description, the control parameter is the hybridization that can be tuned by external pressure. This fact indicates the possibility to observe discontinuities in the SC gap amplitude through applying pressure on the system.

  14. Observer-Based Bilinear Control of First-Order Hyperbolic PDEs: Application to the Solar Collector

    KAUST Repository

    Mechhoud, Sarra

    2015-12-18

    In this paper, we investigate the problem of bilinear control of a solar collector plant using the available boundary and solar irradiance measurements. The solar collector is described by a first-order 1D hyperbolic partial differential equation where the pump volumetric flow rate acts as the plant control input. By combining a boundary state observer and an internal energy-based control law, a nonlinear observer based feedback controller is proposed. With a feed-forward control term, the effect of the solar radiation is cancelled. Using the Lyapunov approach we prove that the proposed control guarantees the global exponential stability of both the plant and the tracking error. Simulation results are provided to illustrate the performance of the proposed method.

  15. Thermodynamics of rotating black branes in gravity with first order string corrections

    Directory of Open Access Journals (Sweden)

    M. H. Dehghani

    2005-09-01

    Full Text Available   In this paper, the rotating black brane solutions with zero curvature horizon of classical gravity with first order string corrections are introduced. Although these solutions are not asymptotically anti de Sitter, one can use the counterterm method in order to compute the conserved quantities of these solutions. Here, by reviewing the counterterm method for asymptotically anti de Sitter spacetimes, the conserved quantities of these rotating solutions are computed. Also a Smarr-type formula for the mass as a function of the entropy and the angular momenta is obtained, and it is shown that the conserved and thermodynamic quantities satisfy the first law of thermodynamics. Finally, a stability analysis in the canonical ensemble is performed, and it is shown that the system is thermally stable. This is in commensurable with the fact that there is no Hawking-Page phase transition for black object with zero curvature horizon.

  16. Analytically solvable chaotic oscillator based on a first-order filter

    Energy Technology Data Exchange (ETDEWEB)

    Corron, Ned J.; Cooper, Roy M.; Blakely, Jonathan N. [Charles M. Bowden Laboratory, Aviation and Missile Research, Development and Engineering Center, U.S. Army RDECOM, Redstone Arsenal, Alabama 35898 (United States)

    2016-02-15

    A chaotic hybrid dynamical system is introduced and its analytic solution is derived. The system is described as an unstable first order filter subject to occasional switching of a set point according to a feedback rule. The system qualitatively differs from other recently studied solvable chaotic hybrid systems in that the timing of the switching is regulated by an external clock. The chaotic analytic solution is an optimal waveform for communications in noise when a resistor-capacitor-integrate-and-dump filter is used as a receiver. As such, these results provide evidence in support of a recent conjecture that the optimal communication waveform for any stable infinite-impulse response filter is chaotic.

  17. A Framework for Incorporating General Domain Knowledge into Latent Dirichlet Allocation using First-Order Logic

    Energy Technology Data Exchange (ETDEWEB)

    Andrzejewski, D; Zhu, X; Craven, M; Recht, B

    2011-01-18

    Topic models have been used successfully for a variety of problems, often in the form of application-specific extensions of the basic Latent Dirichlet Allocation (LDA) model. Because deriving these new models in order to encode domain knowledge can be difficult and time-consuming, we propose the Fold-all model, which allows the user to specify general domain knowledge in First-Order Logic (FOL). However, combining topic modeling with FOL can result in inference problems beyond the capabilities of existing techniques. We have therefore developed a scalable inference technique using stochastic gradient descent which may also be useful to the Markov Logic Network (MLN) research community. Experiments demonstrate the expressive power of Fold-all, as well as the scalability of our proposed inference method.

  18. Expanding a First-Order Logic Mitigation Framework to Handle Multimorbid Patient Preferences.

    Science.gov (United States)

    Michalowski, Martin; Wilk, Szymon; Rosu, Daniela; Kezadri, Mounira; Michalowski, Wojtek; Carrier, Marc

    2015-01-01

    The increasing prevalence of multimorbidity is a challenge for physicians who have to manage a constantly growing number of patients with simultaneous diseases. Adding to this challenge is the need to incorporate patient preferences as key components of the care process, thanks in part to the emergence of personalized and participatory medicine. In our previous work we proposed a framework employing first order logic to represent clinical practice guidelines (CPGs) and to mitigate possible adverse interactions when concurrently applying multiple CPGs to a multimorbid patient. In this paper, we describe extensions to our methodological framework that (1) broaden our definition of revision operators to support required and desired types of revisions defined in secondary knowledge sources, and (2) expand the mitigation algorithm to apply revisions based on their type. We illustrate the capabilities of the expanded framework using a clinical case study of a multimorbid patient with stable cardiac artery disease who suffers a sudden onset of deep vein thrombosis.

  19. First-order system least squares for the pure traction problem in planar linear elasticity

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Z.; Manteuffel, T.; McCormick, S.; Parter, S.

    1996-12-31

    This talk will develop two first-order system least squares (FOSLS) approaches for the solution of the pure traction problem in planar linear elasticity. Both are two-stage algorithms that first solve for the gradients of displacement, then for the displacement itself. One approach, which uses L{sup 2} norms to define the FOSLS functional, is shown under certain H{sup 2} regularity assumptions to admit optimal H{sup 1}-like performance for standard finite element discretization and standard multigrid solution methods that is uniform in the Poisson ratio for all variables. The second approach, which is based on H{sup -1} norms, is shown under general assumptions to admit optimal uniform performance for displacement flux in an L{sup 2} norm and for displacement in an H{sup 1} norm. These methods do not degrade as other methods generally do when the material properties approach the incompressible limit.

  20. A First-order Prediction-Correction Algorithm for Time-varying (Constrained) Optimization: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Dall-Anese, Emiliano [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Simonetto, Andrea [Universite catholique de Louvain

    2017-07-25

    This paper focuses on the design of online algorithms based on prediction-correction steps to track the optimal solution of a time-varying constrained problem. Existing prediction-correction methods have been shown to work well for unconstrained convex problems and for settings where obtaining the inverse of the Hessian of the cost function can be computationally affordable. The prediction-correction algorithm proposed in this paper addresses the limitations of existing methods by tackling constrained problems and by designing a first-order prediction step that relies on the Hessian of the cost function (and do not require the computation of its inverse). Analytical results are established to quantify the tracking error. Numerical simulations corroborate the analytical results and showcase performance and benefits of the algorithms.

  1. Efficient collective influence maximization in cascading processes with first-order transitions

    Science.gov (United States)

    Pei, Sen; Teng, Xian; Shaman, Jeffrey; Morone, Flaviano; Makse, Hernán A.

    2017-03-01

    In many social and biological networks, the collective dynamics of the entire system can be shaped by a small set of influential units through a global cascading process, manifested by an abrupt first-order transition in dynamical behaviors. Despite its importance in applications, efficient identification of multiple influential spreaders in cascading processes still remains a challenging task for large-scale networks. Here we address this issue by exploring the collective influence in general threshold models of cascading process. Our analysis reveals that the importance of spreaders is fixed by the subcritical paths along which cascades propagate: the number of subcritical paths attached to each spreader determines its contribution to global cascades. The concept of subcritical path allows us to introduce a scalable algorithm for massively large-scale networks. Results in both synthetic random graphs and real networks show that the proposed method can achieve larger collective influence given the same number of seeds compared with other scalable heuristic approaches.

  2. First-order transition between adhesion states in a system mimicking cell-tissue interaction

    Science.gov (United States)

    Guttenberg, Z.; Lorz, B.; Sackmann, E.; Boulbitch, A.

    2001-06-01

    We establish a model of cell-tissue interaction consisting of vesicles carrying lipopolymers (to mimic the glycocalix) and mobile specific ligands of the blood platelet integrin αIIbβ3 covering the substrate. We find the phase diagram with a first-order transition between a gravity-controlled weak state of the vesicle-substrate adhesion and a strong-adhesion state governed by receptor-ligand interaction. Adhesion energy ɛadh is measured as a function of ligand and repeller concentration by interferometric contour analysis on the basis of a new refined model of soft shell adhesion (accounting for the membrane bending and stretching at the adhesion rim of the ellipsoidal vesicle). At ligand densities comparable to integrin density, ɛadh decreases sharply. Increasing the repeller content weakens the adhesion strength.

  3. Temperature dependence of the magneto-controllable first-order phase transition in dilute magnetic fluids

    Science.gov (United States)

    Ivanov, A. S.

    2017-11-01

    Experimental study was carried out to investigate the influence of particle size distribution function on the temperature dependent magneto-controllable first-order phase transition of the ;gas-liquid; type in magnetic fluids. The study resolves one crisis situation in ferrohydrodynamic experiment made by several research groups in the 1980-1990s. It is shown that due to polydispersity magnetic fluids exhibit phase diagrams which are divided into three regions by vaporus and liquidus curves. Granulometric data states the primary role of the width of the particle size distribution function in the process of spinodal decomposition. New modified Langevin parameter is introduced for unification of liquidus curves of different ferrofluids despite the significant difference between the curves (one order of magnitude) in (H, T) coordinates.

  4. Partial differential equations of first order and their applications to physics

    CERN Document Server

    López, Gustavo

    2012-01-01

    This book tries to point out the mathematical importance of the Partial Differential Equations of First Order (PDEFO) in Physics and Applied Sciences. The intention is to provide mathematicians with a wide view of the applications of this branch in physics, and to give physicists and applied scientists a powerful tool for solving some problems appearing in Classical Mechanics, Quantum Mechanics, Optics, and General Relativity. This book is intended for senior or first year graduate students in mathematics, physics, or engineering curricula. This book is unique in the sense that it covers the applications of PDEFO in several branches of applied mathematics, and fills the theoretical gap between the formal mathematical presentation of the theory and the pure applied tool to physical problems that are contained in other books. Improvements made in this second edition include corrected typographical errors; rewritten text to improve the flow and enrich the material; added exercises in all chapters; new applicati...

  5. First-order derivative spectrophotometric estimation of nabumetone and paracetamol in tablet dosage form.

    Science.gov (United States)

    Rote, Ambadas R; Bhalerao, Swapnil R

    2011-10-01

    To develop and validate a simple, precise and accurate spectrophotometric method for the simultaneous estimation of nabumetone and paracetamol in their combined tablet dosage form. This method is based on first-order derivative spectroscopy. For determination of sampling wavelengths, each of nabumetone and paracetamol were scanned in the wavelength range of 200-400 nm in the spectrum mode and sampling wavelengths were selected at 261 nm (zero crossing of nabumetone) where paracetamol showed considerable absorbance and at 248.2 nm (zero crossing of paracetamol) where nabumetone showed considerable absorbance. Beer's law obeyed in the concentration range of 3-18 μg/ml for both the drugs. The correlation coefficients were found to be 0.9992 and 0.9998 for nabumetone and paracetamol, respectively. Mean recoveries were found satisfactory. The proposed method can be successfully applied for simultaneous estimation of nabumetone and paracetomol.

  6. Efficient design of a truss beam by applying first order optimization method

    Science.gov (United States)

    Fedorik, Filip

    2013-10-01

    Applications of optimization procedures in structural designs are widely discussed problems, which are caused by currently still-increasing demands on structures. Using of optimization methods in efficient designs passes through great development, especially in duplicate production where even small savings might lead to considerable reduction of total costs. The presented paper deals with application and analysis of the First Order optimization technique, which is implemented in the Design Optimization module that uses the main features of multi-physical FEM program ANSYS, in steel truss-beam design. Constraints of the design are stated by EN 1993 Eurocode 3, for uniform compression forces in compression members and tensile resistance moments in tension members. Furthermore, a minimum frequency of the first natural modal shape of the structure is determined. The aim of the solution is minimizing the weight of the structure by changing members' cross-section properties.

  7. MASS TRANSFER EFFECTS ON ACCELERATED VERTICAL PLATE IN A ROTATING FLUID WITH FIRST ORDER CHEMICAL REACTION

    Directory of Open Access Journals (Sweden)

    R. Muthucumaraswamy

    2012-12-01

    Full Text Available The precise analysis of the rotation effects on the unsteady flow of an incompressible fluid past a uniformly accelerated infinite vertical plate with variable temperature and mass diffusion has been undertaken, in the presence of a homogeneous first order chemical reaction. The dimensionless governing equations are solved using the Laplace-transform technique. The plate temperature as well as the concentration near the plate increase linearly with time. The velocity profiles, temperature and concentration are studied for different physical parameters, like the chemical reaction parameter, thermal Grashof number, mass Grashof number, Schmidt number, Prandtl number and time. It is observed that the velocity increases with increasing values of thermal Grashof number or mass Grashof number. It is also observed that the velocity increases with decreasing rotation parameter Ω.

  8. Pseudo-Marginal Slice Sampling

    OpenAIRE

    Murray, Iain; Graham, Matthew

    2015-01-01

    Markov chain Monte Carlo (MCMC) methods asymptotically sample from complex probability distributions. The pseudo-marginal MCMC framework only requires an unbiased estimator of the unnormalized probability distribution function to construct a Markov chain. However, the resulting chains are harder to tune to a target distribution than conventional MCMC, and the types of updates available are limited. We describe a general way to clamp and update the random numbers used in a pseudo-marginal meth...

  9. O the First-Order Amplitude Statistics of Myocardial Ultrasonic Backscatter.

    Science.gov (United States)

    Clifford, Larry Arthur

    Improved understanding of ultrasonic backscatter, particularly of its statistical behavior in the presence of disease, could enhance tissue characterization methods. Historically it has been assumed that the first-order envelope statistics of ultrasonic myocardial backscatter are best described by the Rayleigh probability distribution function (PDF); this assumption has been challenged frequently in recent years, however, the relative goodness-of-fit (GOF) of competing PDFs to actual data has not been tested. This research compares the abilities of five PDFs (the Rayleigh, the Rician, the lognormal, the Nakagami-m, and the K) to describe high-frequency (2.5-15 MHz) ultrasonic backscatter from in vivo canine myocardium, in vitro human myocardium, in vivo (intraoperative) human myocardium, in vivo blood pool, tissue phantoms, and computer simulations. Ordinal GOF rankings of myocardial data from a wide variety of sources show that only in a small minority of cases is the envelope of backscatter from myocardium Rayleigh-distributed, or other than K-distributed. On the other hand, backscatter from sources expected to be Rayleigh-scattering (such as tissue phantom and blood pool) is approximately Rayleigh -distributed, confirming that non-Rayleighness is not simply a system artifact. Furthermore, signal statistics are not found to be sensitive indicators of disease under clinical operating conditions. Analysis of the influence of pulse shape on the backscatter amplitude density using classical Random Walk and probability techniques, followed by application of Monte Carlo methods to the resulting expressions, shows that backscatter statistics depend both on pulse characteristics (in a manner which can be functionally described) and on the heart's collagen microstructure (in a manner which can be approximately modeled). The observed first-order amplitude statistics of myocardial backscatter are thus characterized with new specificity and a theoretical frame offered within

  10. First-order catchment mass balance during the wet season in the Panama Canal Watershed

    Science.gov (United States)

    Niedzialek, Justin M.; Ogden, Fred L.

    2012-09-01

    SummaryTropical hydrology is poorly understood for a number of reasons. Intense biological activity in the tropics introduces complexities to the hydrologic process. Bioturbation, rapid rates of decay, and intensive insect activity all tend to promote rapid flow paths in the upper soil. Aggressive weathering leads to clays depleted of light cations and deep soil profiles. Processes in the seasonal tropics are further complicated by seasonal transitions, and very large changes in catchment storage between seasons. Beginning in 2005, we installed a suite of hydrologic sensors in a 16.7 ha first-order catchment in the Panama Canal Watershed to observe hydrologic variables and identify the dominant streamflow generation processes. The site is located near the village of Gamboa, which is located on the east bank of the Panama Canal at the confluence of Lake Gatun and the Chagres River. The study catchment is located on the north side of a ridge off the eastern flank of a 230 m tall hill known as Cerro Pelado, and is covered by 70-120 year old re-growth triple-canopy forest. Measurements included: rainfall above the canopy, throughfall, stemflow, evapotranspiration, shallow groundwater levels and streamflow. Deep groundwater storage was not measured. This paper describes measurements made, data collected, and the worth of those data in estimating the mass balance closure of a first-order catchment during the wet season. We compare measurements of the different components of the water cycle with observations from other published studies from the tropics. Data analysis results indicate water balance closure errors of approximately 8%.

  11. Influence of operational parameters and kinetics analysis on the photocatalytic reduction of Cr(VI) by immobilized ZnO.

    Science.gov (United States)

    Behnajady, Mohammad A; Mansoriieh, Nafiseh; Modirshahla, Nasser; Shokri, Mohammad

    2012-01-01

    In the present work the performance of immobilized ZnO on a glass plate with the heat attachment method has been described for photoreduction of Cr(VI) to the less harmful Cr(III) at different operational parameters. The photoreduction of Cr(VI) on the surface of the immobilized ZnO catalyst was studied as a function of the pH of solution, initial Cr(VI) concentration and ultraviolet (UV) light intensity. Results indicated that the reduction rate decreases with increasing initial concentration of Cr(VI) and initial pH of solution, whereas it increases with increasing UV light intensity. The photoreduction rate of Cr(VI) on the surface of the immobilized ZnO in the presence of O2 as mobile gas is more than Ar and N2. The reduction process of Cr(VI) by immobilized ZnO also could be done under visible light irradiation. Pseudo first-order kinetics were observed for the photoreduction of Cr(VI) at different operational conditions. With non-linear regression analysis a mathematical kinetics model was developed for the pseudo first-order constant (k(ap)) as a function of operational parameters.

  12. On Pseudo Turbulence

    Science.gov (United States)

    van Wijngaarden, L.

    When bubbles rise in a vertical turbulent liquid flow, their trajectories are affected by the turbulence. In addition, the motion of the bubbles relative to the liquid causes velocity fluctuations in the latter. This is commonly called ``pseudoturbulence.'' Over the past decades measurements of pseudoturbulence have been reported (Theofanous and Sullivan, 1982; Lance and Bataille, 1991; Stewart, 1995). For the bubbles used in the majority of these experiments the relative motion can, as far as the rise of isolated bubbles is concerned, be described by potential flow together with thin boundary layers to accommodate the tangential stress difference between liquid and gas. With the help of this same description an approximate calculation is made of the kinetic energy in the pseudoturbulence. Except for a very low gas concentration, this turns out to be much smaller than the measurements indicate. A tentative explanation of this phenomenon is presented, based on the observed behavior (Duineveld, 1994) of bubbles encountering another bubble or a solid wall.

  13. First order reversal curve analysis on NdFeB nanocomposite ribbons subjected to Joule heating treatments

    Energy Technology Data Exchange (ETDEWEB)

    Pampillo, L.G. [INTECIN-Instituto de Tecnologias y ciencias de la Ingenieria ' Hilario Fernandez Long' (UBA-CONICET), Facultad de Ingenieria, Paseo Colon 850 (C1063ACV), C. A. B. A. (Argentina); Saccone, F.D., E-mail: fsaccone@fi.uba.ar [INTECIN-Instituto de Tecnologias y ciencias de la Ingenieria ' Hilario Fernandez Long' (UBA-CONICET), Facultad de Ingenieria, Paseo Colon 850 (C1063ACV), C. A. B. A. (Argentina); Knobel, M. [Instituto de Fisica Gleb Wataghin-Departamento de Fisica de Materia Condensada-Universidade Estadual de Campinas, Cidade Universitaria Zeferino Vaz, Barao Geraldo 13083-970, Campinas, Sao Paulo (Brazil); Sirkin, H.R.M. [INTECIN-Instituto de Tecnologias y ciencias de la Ingenieria ' Hilario Fernandez Long' (UBA-CONICET), Facultad de Ingenieria, Paseo Colon 850 (C1063ACV), C. A. B. A. (Argentina)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Nd-lean amorphous precursors subjected to Joule heating. Black-Right-Pointing-Pointer Exchange-spring magnets. Black-Right-Pointing-Pointer FORC diagrams of irreversible switching fields. Black-Right-Pointing-Pointer This last techniques helped us to verify the optimized treatments conditions. - Abstract: Amorphous precursors with composition Nd{sub 4.5}Fe{sub 72-x}Co{sub 3+x}Cr{sub 2}Al{sub 1}B{sub 17.5} (x = 0, 2, 7, 12) were thermally treated by the Joule heating technique with a linearly varying electrical current. The crystallization kinetics was followed by monitoring the resistance of the ribbons during the heating up to the final applied current. Crystallized nanostructured phases coexist with an amorphous matrix, as it was observed by means of Moessbauer Spectroscopy and X-ray diffraction. The irreversible magnetic response of the Joule heated ribbons was analyzed by the First Order Reversal Curves (FORC) diagram technique. For the optimal treatments, associated with the higher maximum energy products for each sample composition, it was found that the main interaction is of a strongly dipolar characteristic. Over annealed samples show a FORC diagram that gives into account of softening, due to grain growth, for those phases precipitated at the first crystallization stage. When it is measured at 20 K, the hardest magnetic sample (Fe = 72 at.%, Co = 3 at.%, I{sub final} = 0.5 A), exhibits a diagram with characteristics corresponding to dipolar interactions of soft phases. This fact is consistent with an enhancement of the exchange length due to the increase in the soft phase stiffness as it is expected at low temperatures.

  14. Phenomenology and Cosmology of an Electroweak Pseudo-Dilaton and Electroweak Baryons

    CERN Document Server

    Campbell, Bruce A; Olive, Keith A

    2012-01-01

    In many strongly-interacting models of electroweak symmetry breaking the lowest-lying observable particle is a pseudo-Goldstone boson of approximate scale symmetry, the pseudo-dilaton. Its interactions with Standard Model particles can be described using a low-energy effective nonlinear chiral Lagrangian supplemented by terms that restore approximate scale symmetry, yielding couplings of the pseudo-dilaton that differ from those of a Standard Model Higgs boson by fixed factors. We review the experimental constraints on such a pseudo-dilaton in light of new data from the LHC and elsewhere. The effective nonlinear chiral Lagrangian has Skyrmion solutions that may be identified with the `electroweak baryons' of the underlying strongly-interacting theory, whose nature may be revealed by the properties of the Skyrmions. We discuss the finite-temperature electroweak phase transition in the low-energy effective theory, finding that the possibility of a first-order electroweak phase transition is resurrected. We disc...

  15. Tropomyosin Ser-283 pseudo-phosphorylation slows myofibril relaxation.

    Science.gov (United States)

    Nixon, Benjamin R; Liu, Bin; Scellini, Beatrice; Tesi, Chiara; Piroddi, Nicoletta; Ogut, Ozgur; Solaro, R John; Ziolo, Mark T; Janssen, Paul M L; Davis, Jonathan P; Poggesi, Corrado; Biesiadecki, Brandon J

    2013-07-01

    Tropomyosin (Tm) is a central protein in the Ca(2+) regulation of striated muscle. The αTm isoform undergoes phosphorylation at serine residue 283. While the biochemical and steady-state muscle function of muscle purified Tm phosphorylation have been explored, the effects of Tm phosphorylation on the dynamic properties of muscle contraction and relaxation are unknown. To investigate the kinetic regulatory role of αTm phosphorylation we expressed and purified native N-terminal acetylated Ser-283 wild-type, S283A phosphorylation null and S283D pseudo-phosphorylation Tm mutants in insect cells. Purified Tm's regulate thin filaments similar to that reported for muscle purified Tm. Steady-state Ca(2+) binding to troponin C (TnC) in reconstituted thin filaments did not differ between the 3 Tm's, however disassociation of Ca(2+) from filaments containing pseudo-phosphorylated Tm was slowed compared to wild-type Tm. Replacement of pseudo-phosphorylated Tm into myofibrils similarly prolonged the slow phase of relaxation and decreased the rate of the fast phase without altering activation kinetics. These data demonstrate that Tm pseudo-phosphorylation slows deactivation of the thin filament and muscle force relaxation dynamics in the absence of dynamic and steady-state effects on muscle activation. This supports a role for Tm as a key protein in the regulation of muscle relaxation dynamics. Copyright © 2012 Elsevier Inc. All rights reserved.

  16. Hydrodechlorination of dichlorobenzenes and their derivatives over Ni-Mo/C catalyst: kinetic analysis and effect of molecular structure of reactant.

    Science.gov (United States)

    Gryglewicz, Stanisław; Piechocki, Wojciech

    2011-04-01

    The kinetics of the catalytic hydrodechlorination (HDC) process of selected dichlorobenzenes (DCBs), dichlorotoluenes (DCTs) and dichlorodiphenyls (DCDs) was studied in the presence of a sulphided carbon-supported Ni-Mo catalyst. The HDC runs were performed in a magnetic stirred batch reactor in the range of 210-230°C under the hydrogen pressure of 3MPa. The kinetic constants were evaluated and the reaction network was proposed assuming the pseudo-first order kinetics of dechlorination process. The HDC of aromatic dichloroderivatives proceeded via a network of sequential-parallel reactions. At 210°C DCBs, DCTs and DCDs followed mainly the pathway of direct transformation to respective aromatic hydrocarbon. At 230°C, the contribution of sequential dechlorination to monochloroderivative became more predominant. Copyright © 2010 Elsevier Ltd. All rights reserved.

  17. The effects of substituent position on kinetics of benzene vapour adsorption onto 3-phenylphenoxy substituted metal-free and metallo-phthalocyanines thin films.

    Science.gov (United States)

    Alamin Ali, Haytham Elzien; Can, Nursel; Altun, Selçuk; Odabaş, Zafer

    2016-11-14

    The preparation of metal-free, Zn(ii), In(iii), and Cu(ii)-phthalocyanines containing tetrakis-(3-phenylphenoxy) groups was achieved by employing 3-(3-phenylphenoxy)phthalonitrile (1) and 4-(3-phenylphenoxy)phthalonitrile (2) as starting materials. The phthalonitriles and phthalocyanines were characterized by elemental analysis, infrared, proton nuclear magnetic resonance, ultraviolet-visible, and matrix-assisted laser desorption/ionization time-of-flight mass spectroscopic techniques. The effect of the substituent group on the kinetics of benzene vapour adsorption onto these novel compounds was examined using three kinetics models: the pseudo first-order model, the Elovich equation, and a simple adsorption-desorption model. Results show that the benzene adsorption kinetics strongly depend on the position of the substituent groups.

  18. Equilibrium and kinetic studies of phosphate removal from solution onto a hydrothermally modified oyster shell material.

    Science.gov (United States)

    Chen, Jie; Cai, Yun; Clark, Malcolm; Yu, Yan

    2013-01-01

    Phosphate removal to a hydrothermally modified fumed silica and pulverized oyster shell material for use in wastewater treatments were made. Sorption data modeling (pH's 3-11, P concentrations of 3, 5, 10, 15, 20, & 25 mg/L, and at an ambient temperature of 23°C) indicate that an optimal removal of P occurs at pH 11. Three kinetic models were also applied (a pseudo-first-order Lagergren kinetic model, a pseudo-second-order (PSO) kinetic and Elovich) and indicate that a PSO model best describes P-removal. In addition, an application of the Weber and Morris intra-particle diffusion model indicates that external mass transfer and intra-particle diffusion were both involved in the rate-determining step. Langmuir, Freundlich modeling of the sorption data also indicate that the heterogeneous Freundlich sorption site model best describes the data although Langmuir data also fit with data tailing suggesting data are not linear. The data collected indicates that the hydrothermally modified fumed silica and pulverized oyster shell material is suitable for use in wastewater treatment, with P-removal to the solids being preferential and spontaneous.

  19. Equilibrium and kinetic studies of phosphate removal from solution onto a hydrothermally modified oyster shell material.

    Directory of Open Access Journals (Sweden)

    Jie Chen

    Full Text Available Phosphate removal to a hydrothermally modified fumed silica and pulverized oyster shell material for use in wastewater treatments were made. Sorption data modeling (pH's 3-11, P concentrations of 3, 5, 10, 15, 20, & 25 mg/L, and at an ambient temperature of 23°C indicate that an optimal removal of P occurs at pH 11. Three kinetic models were also applied (a pseudo-first-order Lagergren kinetic model, a pseudo-second-order (PSO kinetic and Elovich and indicate that a PSO model best describes P-removal. In addition, an application of the Weber and Morris intra-particle diffusion model indicates that external mass transfer and intra-particle diffusion were both involved in the rate-determining step. Langmuir, Freundlich modeling of the sorption data also indicate that the heterogeneous Freundlich sorption site model best describes the data although Langmuir data also fit with data tailing suggesting data are not linear. The data collected indicates that the hydrothermally modified fumed silica and pulverized oyster shell material is suitable for use in wastewater treatment, with P-removal to the solids being preferential and spontaneous.

  20. Equilibrium and kinetic studies of C.I. Basic Blue 41 adsorption onto N, F-codoped flower-like TiO{sub 2} microspheres

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Yinhua, E-mail: jyinhua@126.com [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Luo, Yingying; Zhang, Fumei; Guo, Leiqun; Ni, Liang [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China)

    2013-05-15

    Three-dimensional (3D) N, F-codoped flower-like TiO{sub 2} microspheres were successfully synthesized by a hydrothermal method combined with calcination process. The as-prepared samples were characterized by XRD, FE-SEM and EDS. The adsorption abilities of prepared samples were investigated for the removal of C.I. Basic Blue 41(CB41) from aqueous solution. The FE-SEM and adsorption results showed that doping amount of NH{sub 4}F affected the morphologies of samples and sample NFT-1 with the structure of 3D flower-like microsphere had the highest adsorption amount of CB41. The effects of varying parameters such as pH, contact time, initial dye concentration and temperature on the CB41 adsorption onto NFT-1 were further examined. Equilibrium data correlated with Langmuir, Freundlich and Temkin isotherms. The Langmuir isotherm showed the best fit to the equilibrium data. The kinetic experimental data were analyzed by three kinetic models including the pseudo-first-order model, the pseudo-second-order model and the intraparticle diffusion model to access the adsorption mechanism and the potential rate-controlling step. The pseudo-second-order kinetic model described best for the adsorption of CB41 on NFT-1 and the intraparticle diffusion was not the only rate-controlling step. The thermodynamics parameters as positive values of ΔH° and negative values of ΔG° showed that the adsorption process was endothermic and spontaneous in nature.

  1. Equilibrium and kinetic studies of C.I. Basic Blue 41 adsorption onto N, F-codoped flower-like TiO2 microspheres

    Science.gov (United States)

    Jiang, Yinhua; Luo, Yingying; Zhang, Fumei; Guo, Leiqun; Ni, Liang

    2013-05-01

    Three-dimensional (3D) N, F-codoped flower-like TiO2 microspheres were successfully synthesized by a hydrothermal method combined with calcination process. The as-prepared samples were characterized by XRD, FE-SEM and EDS. The adsorption abilities of prepared samples were investigated for the removal of C.I. Basic Blue 41(CB41) from aqueous solution. The FE-SEM and adsorption results showed that doping amount of NH4F affected the morphologies of samples and sample NFT-1 with the structure of 3D flower-like microsphere had the highest adsorption amount of CB41. The effects of varying parameters such as pH, contact time, initial dye concentration and temperature on the CB41 adsorption onto NFT-1 were further examined. Equilibrium data correlated with Langmuir, Freundlich and Temkin isotherms. The Langmuir isotherm showed the best fit to the equilibrium data. The kinetic experimental data were analyzed by three kinetic models including the pseudo-first-order model, the pseudo-second-order model and the intraparticle diffusion model to access the adsorption mechanism and the potential rate-controlling step. The pseudo-second-order kinetic model described best for the adsorption of CB41 on NFT-1 and the intraparticle diffusion was not the only rate-controlling step. The thermodynamics parameters as positive values of ΔH° and negative values of ΔG° showed that the adsorption process was endothermic and spontaneous in nature.

  2. One-step synthesized calcium phosphate-based material for the removal of alizarin S dye from aqueous solutions: isothermal, kinetics, and thermodynamics studies

    Science.gov (United States)

    Adeogun, Abideen Idowu; Babu, Ramesh Balakrishnan

    2015-07-01

    Calcium phosphate hydroxyapatite (Ca-Hap) synthesized from CaCO3 and H3PO5, it was characterized by scanning electron microscopy, Fourier transform infrared, and X-ray diffraction. The Ca-Hap was used for the removal of Alizarin Red S dye from its aqueous solution. The kinetics, equilibrium, and thermodynamic of the adsorption of the dye onto the Ca-Hap were investigated. The effects of contact time, initial dye concentration, pH as well as temperature on adsorption capacity of Ca-Hap were studied. Experimental data were analyzed using six model equations: Langmuir, Freudlinch, Redlich-Peterson, Temkin, Dubinin-Radushkevich, and Sips isotherms and it was found that the data fitted well with Sips and Dubinin-Radushkevich isotherm models. Pseudo-first-order, pseudo-second-order, Elovic, and Avrami kinetic models were used to test the experimental data in order to elucidate the kinetic adsorption process and it was found that pseudo-second-order model best fit the data. The calculated thermodynamics parameters (∆G°, ∆H° and ∆S°) indicated that the process is spontaneous and endothermic in nature.

  3. Kinetic of Th ions adsorption process in the magnetic chitosan; Cinetica do processo de adsorcao de ions de Th na quitosana magnetica

    Energy Technology Data Exchange (ETDEWEB)

    Oda, Hugo Takao Yamaura; Horita, Andreia Sayuri; Yamaura, Mitiko, E-mail: htyoda@hotmail.co, E-mail: ash.horita@gmail.co, E-mail: myamaura@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2009-07-01

    A magnetic bio absorbent called chitosan was prepared and it potentiality for removal Th ions in nitric medium was verified. The chitosan is a derivative processed from crustacean shells which is a fishing residue. The adsorption studies were accomplished by essays in batch. The equilibrium time was determined for the concentration of Th 101,4 mg L{sup -1} and the kinetic of equilibrium was analysed according to the pseudo-first order, pseudo-second order and intra particle diffusion models. A removal of 35 % by adsorption was observed to confirm that the magnetic chitosan posses a considerable potential as Th absorbent. The magnetic use of chitosan can contribute in the economic and environmental aspects, viewing the low cost of chitosan and the strategies application of control of fishing activity residues and radionuclides with development of a sustainable technology

  4. First-order phase transition in the bosonic Kondo-Hubbard model

    Science.gov (United States)

    Foss-Feig, Michael; Rey, Ana Maria

    2011-05-01

    Recent experimental progress in populating the excited bands of an optical lattice gives rise to the exciting possibility of simulating multi-band condensed matter Hamiltonians. The Kondo lattice model (KLM), in which tightly bound electrons act as spinful scattering centers for electrons in a conduction band, is a typical example of the type of model one would like to simulate. In the KLM, the orbital (band) degree of freedom gives rise to a complex phase diagram, which includes magnetically ordered states, a heavy Fermi liquid, and unconventional superconductors. Here we consider a version of the KLM first proposed in, in which the electrons are replaced by spin-1/2 bosons, which in turn are realized physically by bosonic alkali atoms in an optical lattice. As we demonstrate, the interplay between spin, charge, and orbital degrees of freedom can drive the Mott insulator to superfluid transition to be first order, without explicit breaking of SU(2) symmetry. The observability of such behavior in the context of current experiments will also be discussed.

  5. Morphing Continuum Theory: A First Order Approximation to the Balance Laws

    Science.gov (United States)

    Wonnell, Louis; Cheikh, Mohamad Ibrahim; Chen, James

    2017-11-01

    Morphing Continuum Theory is constructed under the framework of Rational Continuum Mechanics (RCM) for fluid flows with inner structure. This multiscale theory has been successfully emplyed to model turbulent flows. The framework of RCM ensures the mathematical rigor of MCT, but contains new material constants related to the inner structure. The physical meanings of these material constants have yet to be determined. Here, a linear deviation from the zeroth-order Boltzmann-Curtiss distribution function is derived. When applied to the Boltzmann-Curtiss equation, a first-order approximation of the MCT governing equations is obtained. The integral equations are then related to the appropriate material constants found in the heat flux, Cauchy stress, and moment stress terms in the governing equations. These new material properties associated with the inner structure of the fluid are compared with the corresponding integrals, and a clearer physical interpretation of these coefficients emerges. The physical meanings of these material properties is determined by analyzing previous results obtained from numerical simulations of MCT for compressible and incompressible flows. The implications for the physics underlying the MCT governing equations will also be discussed. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-17-1-0154.

  6. The Jump Set under Geometric Regularization. Part 1: Basic Technique and First-Order Denoising

    KAUST Repository

    Valkonen, Tuomo

    2015-01-01

    © 2015 Society for Industrial and Applied Mathematics. Let u ∈ BV(Ω) solve the total variation (TV) denoising problem with L2-squared fidelity and data f. Caselles, Chambolle, and Novaga [Multiscale Model. Simul., 6 (2008), pp. 879-894] have shown the containment Hm-1 (Ju \\\\Jf) = 0 of the jump set Ju of u in that of f. Their proof unfortunately depends heavily on the co-area formula, as do many results in this area, and as such is not directly extensible to higher-order, curvature-based, and other advanced geometric regularizers, such as total generalized variation and Euler\\'s elastica. These have received increased attention in recent times due to their better practical regularization properties compared to conventional TV or wavelets. We prove analogous jump set containment properties for a general class of regularizers. We do this with novel Lipschitz transformation techniques and do not require the co-area formula. In the present Part 1 we demonstrate the general technique on first-order regularizers, while in Part 2 we will extend it to higher-order regularizers. In particular, we concentrate in this part on TV and, as a novelty, Huber-regularized TV. We also demonstrate that the technique would apply to nonconvex TV models as well as the Perona-Malik anisotropic diffusion, if these approaches were well-posed to begin with.

  7. Fuzzy stochastic generalized reliability studies on embankment systems based on first-order approximation theorem

    Directory of Open Access Journals (Sweden)

    Wang Yajun

    2008-12-01

    Full Text Available In order to address the complex uncertainties caused by interfacing between the fuzziness and randomness of the safety problem for embankment engineering projects, and to evaluate the safety of embankment engineering projects more scientifically and reasonably, this study presents the fuzzy logic modeling of the stochastic finite element method (SFEM based on the harmonious finite element (HFE technique using a first-order approximation theorem. Fuzzy mathematical models of safety repertories were introduced into the SFEM to analyze the stability of embankments and foundations in order to describe the fuzzy failure procedure for the random safety performance function. The fuzzy models were developed with membership functions with half depressed gamma distribution, half depressed normal distribution, and half depressed echelon distribution. The fuzzy stochastic mathematical algorithm was used to comprehensively study the local failure mechanism of the main embankment section near Jingnan in the Yangtze River in terms of numerical analysis for the probability integration of reliability on the random field affected by three fuzzy factors. The result shows that the middle region of the embankment is the principal zone of concentrated failure due to local fractures. There is also some local shear failure on the embankment crust. This study provides a referential method for solving complex multi-uncertainty problems in engineering safety analysis.

  8. Efficient robust control of first order scalar conservation laws using semi-analytical solutions

    KAUST Repository

    Li, Yanning

    2014-01-01

    This article presents a new robust control framework for transportation problems in which the state is modeled by a first order scalar conservation law. Using an equivalent formulation based on a Hamilton-Jacobi equation, we pose the problem of controlling the state of the system on a network link, using initial density control and boundary flow control, as a Linear Program. We then show that this framework can be extended to arbitrary control problems involving the control of subsets of the initial and boundary conditions. Unlike many previously investigated transportation control schemes, this method yields a globally optimal solution and is capable of handling shocks (i.e. discontinuities in the state of the system). We also demonstrate that the same framework can handle robust control problems, in which the uncontrollable components of the initial and boundary conditions are encoded in intervals on the right hand side of inequalities in the linear program. The lower bound of the interval which defines the smallest feasible solution set is used to solve the robust LP/MILP. Since this framework leverages the intrinsic properties of the Hamilton-Jacobi equation used to model the state of the system, it is extremely fast. Several examples are given to demonstrate the performance of the robust control solution and the trade-off between the robustness and the optimality.

  9. First-order uncertainty analysis using Algorithmic Differentiation of morphodynamic models

    Science.gov (United States)

    Villaret, Catherine; Kopmann, Rebekka; Wyncoll, David; Riehme, Jan; Merkel, Uwe; Naumann, Uwe

    2016-05-01

    We present here an efficient first-order second moment method using Algorithmic Differentiation (FOSM/AD) which can be applied to quantify uncertainty/sensitivities in morphodynamic models. Changes with respect to variable flow and sediment input parameters are estimated with machine accuracy using the technique of Algorithmic Differentiation (AD). This method is particularly attractive for process-based morphodynamic models like the Telemac-2D/Sisyphe model considering the large number of input parameters and CPU time associated to each simulation. The FOSM/AD method is applied to identify the relevant processes in a trench migration experiment (van Rijn, 1987). A Tangent Linear Model (TLM) of the Telemac-2D/Sisyphe morphodynamic model (release 6.2) was generated using the AD-enabled NAG Fortran compiler. One single run of the TLM is required per variable input parameter and results are then combined to calculate the total uncertainty. The limits of the FOSM/AD method have been assessed by comparison with Monte Carlo (MC) simulations. Similar results were obtained assuming small standard deviation of the variable input parameters. Both settling velocity and grain size have been identified as the most sensitive input parameters and the uncertainty as measured by the standard deviation of the calculated bed evolution increases with time.

  10. First-order irreversible thermodynamic approach to a nonsteady RLC circuit as an energy converter

    Science.gov (United States)

    Valencia, G.; Arias, L. A.

    2015-01-01

    In this work we show a RLC-circuit as energy converter within the context of first-order irreversible thermodynamics (FOIT). For our analysis, we propose an isothermic model with transient elements and passive elements. With the help of the dynamic equations, the Kirchhoff equations, we found the generalized fluxes and forces of the circuit, the equation system shows symmetry of the cross terms, this property is characteristic of the steady state linear systems, but in this case phenomenological coefficients are function of time. Then, we can use these relations, similar to the linear Onsager relations, to construct the characteristic functions of the RLC energy converter: the power output, efficiency, dissipation and ecological function, and study its energetic performance. The study of performance of the converter is based on two parameters, the coupling parameter and the "forces ratio" parameter, in this case as functions of time. We find that the behavior of the non-steady state converter is similar to the behavior of steady state energy converter. We will explain the linear and symmetric behavior of the converter in the frequencies space rather than in the time space. Finally, we establish optimal operation regimes of economic degree of coupling for this energy converter.

  11. A Python Pipeline for the Mercury N-body Code With First-Order GR Effects

    Science.gov (United States)

    Wieland, Christopher AM; Madigan, Ann-Marie

    2015-01-01

    We present a pipeline for use with the Mercury N-body code (Chambers 1999), which we make publicly available on github. We have modified the standard Mercury integrator to include first-order numerical relativistic effects and a smooth stellar potential for use in the near-Keplerian potential around a massive black hole. Python scripts generate the input files and perform analysis on hundreds of stars, including those in a disk around Sgr A* and in highly-eccentric remnants of disrupted binaries.We use this code to simulate the dynamical effects of an intermediate-mass black hole on the stars in the Galactic center. Preliminary results indicate significant effects on the semi-major axis and eccentricity distribution. Using the h-statistic (Madigan et al. 2014) as a proxy for eccentricity, this should be observable in current observational data, allowing us to constrain the remaining parameter space available to an intermediate-mass black hole in the Galactic center (Gualandris & Merritt, 2009).

  12. Simultaneous determination of the textile dyes in industrial effluents by first-order derivative spectrophotometry.

    Science.gov (United States)

    Almeida, Vitor C; Vargas, Alexandro M M; Garcia, Juliana C; Lenzi, Ervim; Oliveira, Cláudio C; Nozaki, Jorge

    2009-04-01

    A first-order derivative spectrophotometric method for the simultaneous determination of three textile dyes, Procion Yellow HE4R, Procion Red HE7B and Remazol Black 5 (RB5), has been developed. The effects of pH, heating and ionic strength of the solution on the absorption spectra of the dyes were investigated. The wavelengths selected for the measures of the derivative signals of HE4R (395 nm), HE7B (604 nm) and RB5 (659 nm) presented these coefficients of linear correlation: 0.9978, 0.9992 and 0.9999, and these detection limits: 0.180, 0.317 and 0.0233 mg L(-1), respectively. The reliability and reproducibility of the method were tested and showed recovery values of 95.7 to 109%. The proposed method was applied for the determination of dyes in binary and ternary mixtures of textile effluents and showed an estimate of the loss of dyes for the effluents between 6.67 and 28.9%.

  13. FIRST-ORDER ULTRAVIOLET DERIVATIVE SPECTROPHOTOMETRIC METHODS FOR DETERMINATION OF RESERPINE IN ANTIHYPERTENSION TABLET

    Directory of Open Access Journals (Sweden)

    Latifah K Darusman

    2012-12-01

    Full Text Available A new ultraviolet derivative spectrophotometry (UVDS method has been developed for determination of reserpine in antihypertension tablets. A first-order UVDS based on the measurement of the distance between peaks to baseline (DZ at the wavelength of 312 nm was used. Evaluation of analytical performance showed that accuracy as percentage recovery was 99.18-101.13%, precision expressed as relative standard deviation (RSD was 1.91% and linear correlation was also obtained 0.9998 in the range of 10-50 µg/mL. Estimation of limit of detection and limit of quantitation was 0.8868 µg/mL and 2.6874 µg/mL, respectively. As a reference method, HPLC methods from United States Pharmacopiea (USP were used. Commercially tablets available were analyzed by the two methods. The content of reserpine in tablets was found 0.2260±0.0033 mg by UVDS and 0.2301±0.0051 mg by the USP methods. The result obtained from the two methods was compared statistically using F-test and t-test and showed no significant differences between the variance and mean values of the two methods at 95% confidence level. This method was faster, easier, low cost and gave result as well as the reference method published by USP.

  14. First-order phase transition during displacement of amphiphilic biomacromolecules from interfaces by surfactant molecules

    Science.gov (United States)

    Ettelaie, Rammile; Dickinson, Eric; Pugnaloni, Luis

    2014-11-01

    The adsorption of surfactants onto a hydrophobic interface, already laden with a fixed number of amphiphilic macromolecules, is studied using the self consistent field calculation method of Scheutjens and Fleer. For biopolymers having unfavourable interactions with the surfactant molecules, the adsorption isotherms show an abrupt jump at a certain value of surfactant bulk concentration. Alternatively, the same behaviour is exhibited when the number of amphiphilic chains on the interface is decreased. We show that this sudden jump is associated with a first-order phase transition, by calculating the free energy values for the stable and the metastable states at both sides of the transition point. We also observe that the transition can occur for two approaching surfaces, from a high surfactant coverage phase to a low surfactant coverage one, at sufficiently close separation distances. The consequence of this finding for the steric colloidal interactions, induced by the overlap of two biopolymer + surfactant films, is explored. In particular, a significantly different interaction, in terms of its magnitude and range, is predicted for these two phases. We also consider the relevance of the current study to problems involving the competitive displacement of proteins by surfactants in food colloid systems.

  15. Modified Inverse First Order Reliability Method (I-FORM) for Predicting Extreme Sea States.

    Energy Technology Data Exchange (ETDEWEB)

    Eckert-Gallup, Aubrey Celia; Sallaberry, Cedric Jean-Marie; Dallman, Ann Renee; Neary, Vincent Sinclair

    2014-09-01

    Environmental contours describing extreme sea states are generated as the input for numerical or physical model simulation s as a part of the stand ard current practice for designing marine structure s to survive extreme sea states. Such environmental contours are characterized by combinations of significant wave height ( ) and energy period ( ) values calculated for a given recurrence interval using a set of data based on hindcast simulations or buoy observations over a sufficient period of record. The use of the inverse first - order reliability method (IFORM) i s standard design practice for generating environmental contours. In this paper, the traditional appli cation of the IFORM to generating environmental contours representing extreme sea states is described in detail and its merits and drawbacks are assessed. The application of additional methods for analyzing sea state data including the use of principal component analysis (PCA) to create an uncorrelated representation of the data under consideration is proposed. A reexamination of the components of the IFORM application to the problem at hand including the use of new distribution fitting techniques are shown to contribute to the development of more accurate a nd reasonable representations of extreme sea states for use in survivability analysis for marine struc tures. Keywords: In verse FORM, Principal Component Analysis , Environmental Contours, Extreme Sea State Characteri zation, Wave Energy Converters

  16. Electrodynamics of s-Wave Superconductors Using First-Order Formalism

    Directory of Open Access Journals (Sweden)

    Naoum Karchev

    2017-06-01

    Full Text Available In this paper we give a derivation of a system of equations which generalize the London brothers and Ginzburg–Landau systems of equations, to describe the electrodynamics of s-wave superconductors. First, we consider a relativistically covariant theory in terms of gauge four-vector electromagnetic potential and scalar complex field. We use the first-order formalism to obtain the supplemented Maxwell equations for gauge-invariant electric, magnetic, four-vector fields and the modulus of the superconducting order parameter. The new four-vector field appears in some of the equations as a gauge-invariant super-current, and in other ones, while gauge invariant, as a four-vector electromagnetic potential. This dual contribution of the new four-vector field is the basis of the electrodynamics of superconductors. We focus on the system of equations with time-independent fields. The qualitative analysis shows that the applied magnetic field suppresses the superconductivity, while the applied electric field impacts oppositely, supporting it. Secondly, we consider time-dependent non-relativistic Ginzburg–Landau theory.

  17. Retinal vessel extraction by matched filter with first-order derivative of Gaussian.

    Science.gov (United States)

    Zhang, Bob; Zhang, Lin; Zhang, Lei; Karray, Fakhri

    2010-04-01

    Accurate extraction of retinal blood vessels is an important task in computer aided diagnosis of retinopathy. The matched filter (MF) is a simple yet effective method for vessel extraction. However, a MF will respond not only to vessels but also to non-vessel edges. This will lead to frequent false vessel detection. In this paper we propose a novel extension of the MF approach, namely the MF-FDOG, to detect retinal blood vessels. The proposed MF-FDOG is composed of the original MF, which is a zero-mean Gaussian function, and the first-order derivative of Gaussian (FDOG). The vessels are detected by thresholding the retinal image's response to the MF, while the threshold is adjusted by the image's response to the FDOG. The proposed MF-FDOG method is very simple; however, it reduces significantly the false detections produced by the original MF and detects many fine vessels that are missed by the MF. It achieves competitive vessel detection results as compared with those state-of-the-art schemes but with much lower complexity. In addition, it performs well at extracting vessels from pathological retinal images. 2010 Elsevier Ltd. All rights reserved.

  18. Magnetic Fields at First Order Phase Transition: A Threat to Electroweak Baryogenesis

    CERN Document Server

    De Simone, Andrea; Quiros, Mariano; Riotto, Antonio

    2011-01-01

    The generation of the observed baryon asymmetry may have taken place during the electroweak phase transition, thus involving physics testable at LHC, a scenario dubbed electroweak baryogenesis. In this paper we point out that the magnetic field which is produced in the bubbles of a first order phase transition endangers the baryon asymmetry produced in the bubble walls. The reason being that the produced magnetic field couples to the sphaleron magnetic moment and lowers the sphaleron energy; this strengthens the sphaleron transitions inside the bubbles and triggers a more effective wash out of the baryon asymmetry. We apply this scenario to the Minimal Supersymmetric extension of the Standard Model (MSSM) where, in the absence of a magnetic field, successful electroweak baryogenesis requires the lightest CP-even Higgs and the right-handed stop masses to be lighter than about 127 GeV and 120 GeV, respectively. We show that even for moderate values of the magnetic field, the Higgs mass required to preserve the ...

  19. First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

    Science.gov (United States)

    Zhao, Xiu-Qin; Liu, Ni; Liang, Jiu-Qing

    2017-05-01

    In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. Supported by the National Natural Science Foundation of China under Grant Nos. 11275118, 11404198, 91430109, 61505100, 51502189, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province (STIP) under Grant No. 2014102, and the Launch of the Scientific Research of Shanxi University under Grant No. 011151801004, and the National Fundamental Fund of Personnel Training under Grant No. J1103210. The Natural Science Foundation of Shanxi Province under Grant No. 2015011008

  20. Efficient collective influence maximization in cascading processes with first-order transitions

    Science.gov (United States)

    Pei, Sen; Teng, Xian; Shaman, Jeffrey; Morone, Flaviano; Makse, Hernán A.

    2017-01-01

    In many social and biological networks, the collective dynamics of the entire system can be shaped by a small set of influential units through a global cascading process, manifested by an abrupt first-order transition in dynamical behaviors. Despite its importance in applications, efficient identification of multiple influential spreaders in cascading processes still remains a challenging task for large-scale networks. Here we address this issue by exploring the collective influence in general threshold models of cascading process. Our analysis reveals that the importance of spreaders is fixed by the subcritical paths along which cascades propagate: the number of subcritical paths attached to each spreader determines its contribution to global cascades. The concept of subcritical path allows us to introduce a scalable algorithm for massively large-scale networks. Results in both synthetic random graphs and real networks show that the proposed method can achieve larger collective influence given the same number of seeds compared with other scalable heuristic approaches. PMID:28349988

  1. Mechanically clamped PZT ceramics investigated by First-order reversal curves diagram

    Directory of Open Access Journals (Sweden)

    Laurentiu Stoleriu

    2010-09-01

    Full Text Available The First Order Reversal Curves (FORC diagrams method was developed for characterizing the switching properties of ferroelectrics. In the present paper, the FORC method was applied for hard Pb(Zr,TiO3 ceramics with symmetric and asymmetric clamping. An ideal high-oriented single-crystalline ferroelectric with rectangular P(E loop would be characterised by a delta-function FORC distribution, while real ferroelectrics and mostly the polycrystalline ceramics show dispersed FORC distributions. All the investigated ceramics show FORC distributions with non-Gaussian shape, slightly elongated along the coercitive axis, meaning a high dispersion of the energy barriers separating the two bi-stable polarizations ±P. The degree of dispersion is enhanced by clamping. The maximum FORC coercivity is located at ~ (1.9-2 MV/m for all the hard ceramics. The FORC cycling experiment causes the reversal of the initial poling and result in a positive/negative bias on the FORC diagrams. According to the observed features, it results that FORC coercivity is more related to the nature of the material, while the bias field is more sensitive to the electrical and mechanical boundary conditions in which the ferroelectric ceramics evolves while switching.

  2. Application of magneto-optical Kerr effect to first-order reversal curve measurements.

    Science.gov (United States)

    Gräfe, Joachim; Schmidt, Mathias; Audehm, Patrick; Schütz, Gisela; Goering, Eberhard

    2014-02-01

    First-order reversal curves (FORC) are a powerful method for magnetic sample characterization, separating all magnetic states of an investigated system according to their coercivity and internal magnetic interactions. A major drawback of using measurement techniques like VSM or SQUID, typically applied for FORC acquisition, is the long measurement time, limiting the resolution and the number of measurements due to time constraints. Faster techniques like MOKE result in problems regarding measurement stability over the curse of the acquisition of many minor loops, due to drift and non-absolute magnetization values. Here, we present an approach using a specialized field shape providing two anchor points for each minor loop for applying the magneto-optical Kerr effect (MOKE) technique to FORC measurements. This results in a high field resolution while keeping the total acquisition time to only a few minutes. MOKE FORC measurements are exemplarily applied to a simple permalloy film, an exchange-bias system, and a Gd/Fe multilayer system with perpendicular magnetic anisotropy, showcasing the versatility of the method.

  3. An Arbitrary First Order Theory Can Be Represented by a Program: A Theorem

    Science.gov (United States)

    Hosheleva, Olga

    1997-01-01

    How can we represent knowledge inside a computer? For formalized knowledge, classical logic seems to be the most adequate tool. Classical logic is behind all formalisms of classical mathematics, and behind many formalisms used in Artificial Intelligence. There is only one serious problem with classical logic: due to the famous Godel's theorem, classical logic is algorithmically undecidable; as a result, when the knowledge is represented in the form of logical statements, it is very difficult to check whether, based on this statement, a given query is true or not. To make knowledge representations more algorithmic, a special field of logic programming was invented. An important portion of logic programming is algorithmically decidable. To cover knowledge that cannot be represented in this portion, several extensions of the decidable fragments have been proposed. In the spirit of logic programming, these extensions are usually introduced in such a way that even if a general algorithm is not available, good heuristic methods exist. It is important to check whether the already proposed extensions are sufficient, or further extensions is necessary. In the present paper, we show that one particular extension, namely, logic programming with classical negation, introduced by M. Gelfond and V. Lifschitz, can represent (in some reasonable sense) an arbitrary first order logical theory.

  4. First-order optical analysis of a quasi-microscope for planetary landers

    Science.gov (United States)

    Huck, F. O.; Sinclair, A. R.; Burcher, E. E.

    1973-01-01

    A first-order geometrical optics analysis of a facsimile camera augmented with an auxiliary lens as magnifier is presented. This concept, called quasi-microscope, bridges the gap between surface resolutions of the order of 1 to 10 mm which can be obtained directly with planetary lander cameras and resolutions of the order of 0.2 to 10 microns which can be obtained only with relatively complex microscopes. A facsimile camera was considered in the analysis; however, the analytical results can also be applied to television and film cameras. It was found that quasi-microscope resolutions in the range from 10 to 100 microns are obtainable with current state-of-the-art lander facsimile cameras. For the Viking lander camera having an angular resolution of 0.04 deg, which was considered as a specific example, the best achievable resolution would be about 20 microns. The preferred approach to increase the resolution of the quasi-microscope would be, if possible, through an increase in angular resolution of the camera. A twofold to threefold improvement in resolution could also be achieved with a special camera focus position, but this approach tends to require larger and heavier auxiliary optics.

  5. First order Two-Scale Particle-in-Cell numerical method for the Vlasov equation

    Directory of Open Access Journals (Sweden)

    Frénod Emmanuel

    2013-01-01

    Full Text Available The aim of this work is to build an accurate numerical method for the simulation of the long time evolution of the Vlasov solution fε with an electric field Eε = E0 + εE1 for small ε. To this purpose, we use the Two-Scale Convergence to determine a first order approximation F + εF1 of fε. Then, by means of particle approximations we build an algorithm which is intended for providing a numerical approximation of F + εF1. On cherche à construire une méthode numérique pour l’évolution en temps long de la solution fε de l’équation de Vlasov avec un champ électrique Eε = E0 + εE1 pour ε petit. À cet effet, on utilise la théorie de la convergence à deux échelles pour obtenir une approximation d’ordre un F + εF1 de fε, puis une méthode particulaire pour construire l’algorithme d’approximation numérique de F + εF1.

  6. Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.

    Science.gov (United States)

    Stopkowicz, Stella; Gauss, Jürgen

    2011-05-28

    In this work, we present relativistic corrections to first-order electrical properties obtained using fourth-order direct perturbation theory (DPT4) at the Hartree-Fock level. The considered properties, i.e., dipole moments and electrical-field gradients, have been calculated using numerical differentiation techniques based on a recently reported DPT4 code for energies [S. Stopkowicz and J. Gauss, J. Chem. Phys. 134, 064114 (2011)]. For the hydrogen halides HX, X=F, Cl, Br, I, and At, we study the convergence of the scalar-relativistic contributions by comparing the computed DPT corrections to results from spin-free Dirac-Hartree-Fock calculations. Furthermore, since in the DPT series spin-orbit contributions first appear at fourth order, we investigate their magnitude and judge the performance of the DPT4 treatment by means of Dirac-Hartree-Fock benchmark calculations. Finally, motivated by experimental investigations of the molecules CH(2)FBr, CHF(2)Br, and CH(2)FI, we present theoretical results for their halogen quadrupole-coupling tensors and give recommendations concerning the importance of higher-order scalar-relativistic and spin-orbit corrections. © 2011 American Institute of Physics

  7. Generic first-order phase transitions between isotropic and orientational phases with polyhedral symmetries

    Science.gov (United States)

    Liu, Ke; Greitemann, Jonas; Pollet, Lode

    2018-01-01

    Polyhedral nematics are examples of exotic orientational phases that possess a complex internal symmetry, representing highly nontrivial ways of rotational symmetry breaking, and are subject to current experimental pursuits in colloidal and molecular systems. The classification of these phases has been known for a long time; however, their transitions to the disordered isotropic liquid phase remain largely unexplored, except for a few symmetries. In this work, we utilize a recently introduced non-Abelian gauge theory to explore the nature of the underlying nematic-isotropic transition for all three-dimensional polyhedral nematics. The gauge theory can readily be applied to nematic phases with an arbitrary point-group symmetry, including those where traditional Landau methods and the associated lattice models may become too involved to implement owing to a prohibitive order-parameter tensor of high rank or (the absence of) mirror symmetries. By means of exhaustive Monte Carlo simulations, we find that the nematic-isotropic transition is generically first-order for all polyhedral symmetries. Moreover, we show that this universal result is fully consistent with our expectation from a renormalization group approach, as well as with other lattice models for symmetries already studied in the literature. We argue that extreme fine tuning is required to promote those transitions to second-order ones. We also comment on the nature of phase transitions breaking the O(3 ) symmetry in general cases.

  8. Strong first order electroweak phase transition in the CP-conserving 2HDM revisited

    Energy Technology Data Exchange (ETDEWEB)

    Basler, P.; Krause, M.; Mühlleitner, M. [Institute for Theoretical Physics, Karlsruhe Institute of Technology,Wolfgang-Gaede-Str. 1, 76131 Karlsruhe (Germany); Wittbrodt, J. [Institute for Theoretical Physics, Karlsruhe Institute of Technology,Wolfgang-Gaede-Str. 1, 76131 Karlsruhe (Germany); Deutsches Elektronen-Synchrotron DESY,Notkestraße 85, D-22607 Hamburg (Germany); Wlotzka, A. [Institute for Theoretical Physics, Karlsruhe Institute of Technology,Wolfgang-Gaede-Str. 1, 76131 Karlsruhe (Germany)

    2017-02-23

    The discovery of the Higgs boson by the LHC experiments ATLAS and CMS has marked a milestone for particle physics. Yet, there are still many open questions that cannot be answered within the Standard Model (SM). For example, the generation of the observed matter-antimatter asymmetry in the universe through baryogenesis can only be explained qualitatively in the SM. A simple extension of the SM compatible with the current theoretical and experimental constraints is given by the 2-Higgs-Doublet Model (2HDM) where a second Higgs doublet is added to the Higgs sector. We investigate the possibility of a strong first order electroweak phase transition in the CP-conserving 2HDM type I and type II where either of the CP-even Higgs bosons is identified with the SM-like Higgs boson. The renormalisation that we apply on the loop-corrected Higgs potential allows us to efficiently scan the 2HDM parameter space and simultaneously take into account all relevant theoretical and up-to-date experimental constraints. The 2HDM parameter regions found to be compatible with the applied constraints and a strong electroweak phase transition are analysed systematically. Our results show that there is a strong interplay between the requirement of a strong phase transition and collider phenomenology with testable implications for searches at the LHC.

  9. Distinguishing magnetic particle size of iron oxide nanoparticles with first-order reversal curves

    Energy Technology Data Exchange (ETDEWEB)

    Kumari, Monika; Hirt, Ann M., E-mail: ann.hirt@erdw.ethz.ch [Department of Earth Sciences, Institute of Geophysics, ETH-Zurich, Sonneggstrasse 5, CH-8092 Zurich (Switzerland); Widdrat, Marc; Faivre, Damien [Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, Science Park Golm, D-14424 Potsdam (Germany); Tompa, Éva; Pósfai, Mihály [Department of Earth and Environmental Sciences, University of Pannonia, Egyetem u. 10, H-8200 Veszprém (Hungary); Uebe, Rene; Schüler, Dirk [Department Biologie I, LMU Munich, Großhaderner Str. 2, D-82152 Martinsried (Germany)

    2014-09-28

    Magnetic nanoparticles encompass a wide range of scientific study and technological applications. The success of using the nanoparticles in various applications demands control over size, dispersibility, and magnetics. Hence, the nanoparticles are often characterized by transmission electron microscopy (TEM), X-ray diffraction, and magnetic hysteresis loops. TEM analysis requires a thin layer of dispersed particles on the grid, which may often lead to particle aggregation thus making size analysis difficult. Magnetic hysteresis loops on the other hand provide information on the bulk property of the material without discriminating size, composition, and interaction effects. First order reversal curves (FORCs), described as an assembly of partial hysteresis loops originating from the major loop are efficient in identifying the domain size, composition, and interaction in a magnetic system. This study presents FORC diagrams on a variety of well-characterized biogenic and synthetic magnetite nanoparticles. It also introduces deconvoluted reversible and irreversible components from FORC as an important method for obtaining a semi-quantitative measure of the effective magnetic particle size. This is particularly important in a system with aggregation and interaction among the particles that often leads to either the differences between physical size and effective magnetic size. We also emphasize the extraction of secondary components by masking dominant coercivity fraction on FORC diagram to explore more detailed characterization of nanoparticle systems.

  10. Design of experiments for zeroth and first-order reaction rates.

    Science.gov (United States)

    Amo-Salas, Mariano; Martín-Martín, Raúl; Rodríguez-Aragón, Licesio J

    2014-09-01

    This work presents optimum designs for reaction rates experiments. In these experiments, time at which observations are to be made and temperatures at which reactions are to be run need to be designed. Observations are performed along time under isothermal conditions. Each experiment needs a fixed temperature and so the reaction can be measured at the designed times. For these observations under isothermal conditions over the same reaction a correlation structure has been considered. D-optimum designs are the aim of our work for zeroth and first-order reaction rates. Temperatures for the isothermal experiments and observation times, to obtain the most accurate estimates of the unknown parameters, are provided in these designs. D-optimum designs for a single observation in each isothermal experiment or for several correlated observations have been obtained. Robustness of the optimum designs for ranges of the correlation parameter and comparisons of the information gathered by different designs are also shown. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. First-order derivative UV spectrophotometric method for simultaneous measurement of delapril and manidipine in tablets.

    Science.gov (United States)

    Todeschini, Vítor; Barden, Amanda Thomas; Sfair, Leticia Lenz; da Silva Sangoi, Maximiliano; Volpato, Nadia Maria

    2013-01-01

    A first-order derivative spectrophotometric (1D-UV) method was developed and validated for simultaneous determination of delapril (DEL) and manidipine (MAN) in tablets. The 1D-UV spectra were obtained using change lambda = 4.0 nm and wavelength set at 228 nm for DEL and 246 nm for MAN. The method was validated in accordance with the ICH requirements, involving the specificity, linearity, precision, accuracy, robustness and limits of detection and quantitation. The method showed high specificity in the presence of two drugs and formulation excipients and was linear over the concentration range of 18-54 microg mL(-1) (r2 = 0.9994) for DEL and 6-18 microg mL(-1) (r2 = 0.9981) for MAN with adequate results for the precision (< or = 1.47%) and accuracy (98.98% for DEL and 100.50% for MAN). Moreover, the method proved to be robust by a Plackett-Burman experimental design evaluation. The proposed 'D-UV method was successfully applied for simultaneous analysis of DEL and MAN in tablets and can be used as alternative green method to separation techniques. The results were compared with the validated liquid chromatography, capillary electrophoresis and liquid chromatography-tandem mass spectrometry methods, showing non-significant difference.

  12. Determination of first-order derivative matrix of wavefront aberration with respect to system variables.

    Science.gov (United States)

    Lin, Psang Dain

    2012-02-01

    The first-order derivative matrix of a function with respect to a variable vector is referred to as the Jacobian matrix in mathematics. Current commercial software packages for the analysis and design of optical systems use a finite difference (FD) approximation methodology to estimate the Jacobian matrix of the wavefront aberration with respect to all of the independent system variables in a single raytracing pass such that the change of the wavefront aberration can be determined simply by computing the product of the developed Jacobian matrix and the corresponding changes in the system variables. The proposed method provides an ideal basis for automatic optical system design applications in which the merit function is defined in terms of wavefront aberration. The validity of the proposed approach is demonstrated by means of two illustrative examples. It is shown that the proposed method requires fewer iterations than the traditional FD approach and yields a more reliable and precise optimization performance. However, the proposed method incurs an additional CPU overhead in computing the Jacobian matrix of the merit function. As a result, the CPU time required to complete the optimization process is longer than that required by the FD method.

  13. Black string first order flow in N = 2, d = 5 abelian gauged supergravity

    Science.gov (United States)

    Klemm, Dietmar; Petri, Nicolò; Rabbiosi, Marco

    2017-01-01

    We derive both BPS and non-BPS first-order flow equations for magnetically charged black strings in five-dimensional N = 2 abelian gauged supergravity, using the Hamilton-Jacobi formalism. This is first done for the coupling to vector multiplets only and U(1) Fayet-Iliopoulos (FI) gauging, and then generalized to the case where also hyper-multiplets are present, and abelian symmetries of the quaternionic hyperscalar target space are gauged. We then use these results to derive the attractor equations for near-horizon geometries of extremal black strings, and solve them explicitely for the case where the constants appearing in the Chern-Simons term of the supergravity action satisfy an adjoint identity. This allows to compute in generality the central charge of the two-dimensional conformal field theory that describes the black strings in the infrared, in terms of the magnetic charges, the CY intersection numbers and the FI constants. Finally, we extend the r-map to gauged supergravity and use it to relate our flow equations to those in four dimensions.

  14. A time series model: First-order integer-valued autoregressive (INAR(1))

    Science.gov (United States)

    Simarmata, D. M.; Novkaniza, F.; Widyaningsih, Y.

    2017-07-01

    Nonnegative integer-valued time series arises in many applications. A time series model: first-order Integer-valued AutoRegressive (INAR(1)) is constructed by binomial thinning operator to model nonnegative integer-valued time series. INAR (1) depends on one period from the process before. The parameter of the model can be estimated by Conditional Least Squares (CLS). Specification of INAR(1) is following the specification of (AR(1)). Forecasting in INAR(1) uses median or Bayesian forecasting methodology. Median forecasting methodology obtains integer s, which is cumulative density function (CDF) until s, is more than or equal to 0.5. Bayesian forecasting methodology forecasts h-step-ahead of generating the parameter of the model and parameter of innovation term using Adaptive Rejection Metropolis Sampling within Gibbs sampling (ARMS), then finding the least integer s, where CDF until s is more than or equal to u . u is a value taken from the Uniform(0,1) distribution. INAR(1) is applied on pneumonia case in Penjaringan, Jakarta Utara, January 2008 until April 2016 monthly.

  15. Spatial Estimation of Accelerated Stimuli Is Based on a Linear Extrapolation of First-Order Information.

    Science.gov (United States)

    Bennett, Simon J; Benguigui, Nicolas

    2016-03-01

    We examined spatial estimation of accelerating objects (-8, -4, 0, +4, or +8 deg/s(2)) during occlusion (600, 1,000 ms) in a spatial prediction motion task. Multiple logistic regression indicated spatial estimation was influenced by these factors such that participants estimated objects with positive acceleration to reappear behind less often than those with negative acceleration, and particularly after the longer occlusion. Individual-participant logistic regressions indicated spatial estimation was better predicted by a first-order extrapolation of the occluded object motion based on pre-occlusion velocity rather than a second-order extrapolation that took account of object acceleration. We suggest a general principle of extrapolation is involved in prediction motion tasks whereby there is a contraction of the variable of interest (i.e., displacement in spatial prediction motion and time in temporal prediction motion). Such an approach to extrapolation could be advantageous as it would offer participants better opportunity to correct for an initial estimation error.

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

    Science.gov (United States)

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

    2011-10-15

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

  17. Equilibrium, kinetics and thermodynamic parameters for adsorptive removal of dye Basic Blue 9 by ground nut shells and Eichhornia

    Directory of Open Access Journals (Sweden)

    Sumanjit

    2016-11-01

    Full Text Available Adsorption of dye Basic Blue 9 (BB9 was studied using ground nut shells charcoal (GNC, and Eichhornia charcoal (EC as adsorbents. The characterization was done with FTIR spectroscopy, scanning electron microscopy and X-ray diffraction. Batch adsorption studies have been investigated by measuring the effect of pH, adsorbent dose, adsorbate concentration, contact time, temperature, and ionic strength. Adsorption of the dye increased with increase in contact time, temperature, amount of adsorbent and initial concentration. The kinetic experimental data were fitted to pseudo-first order, pseudo-second order, intra-particle diffusion, Elovich model and Bangham’s model and corresponding constants were calculated and discussed. Pseudo-second order kinetics was found to describe the adsorption of dye BB9 on both the adsorbents and rate is mainly controlled by intra particle diffusion. A study of five isotherm models; Langmuir, Freundlich, Temkin, Dubinin and Radushkevich and generalized isotherms have been made and important thermodynamic parameters have been obtained. The adsorption of BB9 onto GNC and EC was spontaneous and endothermic as concluded from thermodynamic assays. Experimental results confirmed that dye BB9 can be successfully removed from the aqueous solutions economically and efficiently.

  18. Adsorption of food dyes acid blue 9 and food yellow 3 onto chitosan: stirring rate effect in kinetics and mechanism.

    Science.gov (United States)

    Dotto, G L; Pinto, L A A

    2011-03-15

    Adsorption of food dyes acid blue 9 and food yellow 3 onto chitosan was studied. Stirring rate influence on kinetics and mechanism was verified. Infra-red analysis was carried out before and after adsorption in order to verify the adsorption nature. Adsorption experiments were carried out in batch systems with different stirring rates (15-400 rpm). Kinetic behavior was analyzed through the pseudo-first-order, pseudo-second-order and Elovich models. Adsorption mechanism was verified according to the film diffusion model and HSDM model. Pseudo-second-order and Elovich models were satisfactory in order to represent experimental data in all stirring rates. For both dyes, adsorption occurred by film and intraparticle diffusion, and the stirring rate increase caused a decrease in film diffusion resistance. Therefore, the film diffusivity increased the adsorption capacity and, consequently, intraparticle diffusivity increased. In all stirring rates, the rate-limiting step was film diffusion. Adsorption of acid blue 9 and food yellow 3 onto chitosan occurred by chemiosorption. Copyright © 2011 Elsevier B.V. All rights reserved.

  19. One-step fabricated Fe3O4@C core-shell composites for dye removal: Kinetics, equilibrium and thermodynamics

    Science.gov (United States)

    Qu, Lingling; Han, Tingting; Luo, Zhijun; Liu, Cancan; Mei, Yan; Zhu, Ting

    2015-03-01

    B-Fe3O4@C core-shell composites were synthesized via one-pot hydrothermal carbonization (HTC) process and used as an adsorbent for the removal of methylene blue (MB) from aqueous solution. By using sodium borate as the catalyst, the hydrothermal carbonization process of B-Fe3O4@C core-shell composites was optimized and a higher surface area was obtained. The adsorbent was characterized by XRD, Raman spectra, SEM, TEM and N2 adsorption/desorption isotherms. We studied the dye adsorption process at different conditions and analyzed the data by employing the Langmuir and Freundlich models, and the equilibrium data fitted well with both models. Kinetic analyses were conducted by using the Lagergren pseudo-first-order and pseudo-second-order model and the results showed that the adsorption process was more consistent with the pseudo-second-order kinetics. To better understand the dye adsorption process from the thermodynamics perspective, we also calculated ΔHο, ΔSο, ΔGο and Ea, the results suggesting that the MB adsorption process was physisorption endothermic process, and spontaneous at room temperature. The as-synthesized B-Fe3O4@C showing high magnetic sensitivity provides a facile and efficient way to recycle from aqueous solution.

  20. Removal of reactive blue 19 dyes from textile wastewater by pomegranate seed powder: Isotherm and kinetic studies

    Directory of Open Access Journals (Sweden)

    Mahboobeh Dehvari

    2016-01-01

    Full Text Available Aims: The aim of this study was the evaluation of adsorption kinetics and equilibrium of reactive blue 19 dyes from textile synthetic wastewater by pomegranate seed powder. Materials and Methods: This study is an experimental research, which was performed in laboratory scale. In this study, the parameters such as adsorbent dose, pH and retention time, initial concentration of dye and agitation rate have been investigated. After washing and boiling of pomegranate seeds for 2 h, they dried, milled and finally pulverized by standard ASTM sieves (40-100 mesh. Maximum adsorption wave length (λmax by spectrophotometer ultra violet/visible (model SP-3000 Plus 592 nm was determined. The Langmuir, Freundlich and Temkin isotherm models and the pseudo-first-order and pseudo-second-order kinetic models were analyzed. Results: According to results, the removal efficiency with adsorbent dose, retention time and agitation rate has a direct relation. Maximum adsorption occurred in the first 60 min. The removal efficiency with initial concentration of dye and pH of solution has indirect relation. The Freundlich isotherm fits the experimental data better than the other isotherms. It was recognized that the adsorption followed by pseudo-second-order model (R2 > 0.99. Conclusion: Based on the results, pomegranate seeds as a new natural sorbent can be used in removal of dye and other environmental pollutants with desirable absorption capacity.

  1. Equilibrium, kinetic and thermodynamic studies for sorption of Ni (II from aqueous solution using formaldehyde treated waste tea leaves

    Directory of Open Access Journals (Sweden)

    Jasmin Shah

    2015-05-01

    Full Text Available The sorption characteristic of Ni (II from aqueous solution using formaldehyde treated waste tea leaves as a low cost sorbent has been studied. The effect of pH, contact time, sorbent dose, initial metal ion concentration and temperature were investigated in batch experiments. The equilibrium data were fitted into four most common isotherm models; Freundlich, Langmuir, Tempkin and Dubinin–Radushkevich (D–R. The Langmuir model described the sorption isotherm best with maximum monolayer sorption capacity of 120.50 mg g−1. Four kinetic models, pseudo-first-order, pseudo-second-order, intraparticle diffusion and Elovich were employed to explain the sorption mechanism. The kinetics of sorption data showed that the pseudo-second-order model is the best with correlation coefficient of 0.9946. The spontaneous and exothermic nature of the sorption process was revealed from thermodynamic investigations. The effect of some common alkali and alkaline earth metal ions were also studied which showed that the presence of these ions have no effect on the sorption of Ni (II. The results showed that waste tea leaves have the potential to be used as a low cost sorbent for the removal of Ni (II from aqueous solutions.

  2. Reversible hydrogen storage in the Ni-rich pseudo-binary Mg{sub 6}Pd{sub 0.25}Ni{sub 0.75} intermetallic compound: Reaction pathway, thermodynamic and kinetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Ponthieu, M. [Dpto. Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, 28049 Madrid (Spain); ICMPE/CNRS-UPEC UMR 7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Fernandez, J.F., E-mail: josefrancisco.fernandez@uam.es [Dpto. Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, 28049 Madrid (Spain); Cuevas, F. [ICMPE/CNRS-UPEC UMR 7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Ares, J.R.; Leardini, F.; Bodega, J.; Sanchez, C. [Dpto. Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, 28049 Madrid (Spain)

    2013-01-25

    Highlights: Black-Right-Pointing-Pointer Mg{sub 6.2}Pd{sub 0.25}Ni{sub 0.65} reversibly absorbs 5.6 wt.% H in a two plateau pressure PCI. Black-Right-Pointing-Pointer The ternary phase depletes in Mg and Ni at low hydrogen pressure to form Mg{sub 2}Ni. Black-Right-Pointing-Pointer Reaction pathway of hydrogenation has been determined. Black-Right-Pointing-Pointer Enthalpy of the high pressure plateau is less negative than the one of pure Mg. Black-Right-Pointing-Pointer Low activation energy for desorption has been found for highly hydrided material. - Abstract: To improve the hydrogen storage properties of Mg{sub 6}Pd and to reduce its cost, Pd has been partly substituted by Ni at the solubility limit of the Mg{sub 6}(Pd,Ni) {rho}-phase. The attained composition is Mg{sub 6.2}Pd{sub 0.25}Ni{sub 0.65} as determined by Energy Dispersive X-Ray (EDX) and X-Ray Diffraction (XRD). Hydrogenation of this compound has been investigated by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM-EDX), Pressure-Composition-Isotherms (PCI) and thermal desorption analysis. On absorption, it decomposes in two steps as evidenced by two distinct plateau pressures. At low pressure, a partial segregation of Mg and Ni out of the pseudo-binary Mg{sub 6.2}Pd{sub 0.25}Ni{sub 0.65} {rho}-phase occurs leading to the formation of MgH{sub 2}, Mg{sub 2}Ni and Mg{sub 6}Pd{sub 0.7}Ni{sub 0.3} phases. At high pressure, the Mg{sub 6}Pd{sub 0.7}Ni{sub 0.3} phase disproportionates into MgH{sub 2}, Mg{sub 2}NiH{sub 4}, MgPd and Mg{sub 5}Pd{sub 2} phases. The hydrogenation reaction is reversible providing a hydrogen capacity of 5.6 wt.% H. The reaction enthalpy of the high pressure plateau is less negative than for pure Mg. Furthermore, the activation energy for H-desorption exhibits a dramatic decrease for hydrogen contents above 4 wt.% H, i.e. after the alloy disproportionation.

  3. Estados de pseudo-Cushing

    OpenAIRE

    Romanholi, Daniella J.P.C.; SALGADO, Luiz Roberto

    2007-01-01

    Síndromes de pseudo-Cushing são um grupo heterogêneo de doenças, incluindo alcoolismo, anorexia nervosa, obesidade visceral e depressão, que compartilham muitas das características clínicas e bioquímicas da síndrome de Cushing. Os mecanismos responsáveis para a gênese da síndrome de pseudo-Cushing são fracamente compreendidos. Tem sido sugerido que o hipercortisolismo da síndrome de pseudo-Cushing pode ser resultante do aumento da secreção do hormônio liberador de corticotrofina (CRH) hipotal...

  4. Removal of COD from olive mill wastewater by Fenton's reagent: Kinetic study

    Energy Technology Data Exchange (ETDEWEB)

    Lucas, Marco S. [Centro de Quimica, Universidade de Tras-os-Montes e Alto Douro (UTAD), Apartado 1013, 5001-801 Vila Real (Portugal); Peres, Jose A., E-mail: jperes@utad.pt [Centro de Quimica, Universidade de Tras-os-Montes e Alto Douro (UTAD), Apartado 1013, 5001-801 Vila Real (Portugal)

    2009-09-15

    This work describes the application of Fenton's reagent (H{sub 2}O{sub 2}/Fe{sup 2+}) to the removal of chemical oxygen demand (COD) from olive mill wastewater (OMW) in a laboratory-scale batch reactor. The effect of different operational conditions, namely, hydrogen peroxide and ferrous ion concentrations, temperature and initial pH were evaluated. ORP, pH and dissolved oxygen were on-line monitored. Working with an initial pH equal to 3.5, a temperature of 30 deg. C, a molar ratio H{sub 2}O{sub 2}/Fe{sup 2+} = 15 and a weight ratio R = H{sub 2}O{sub 2}/COD = 1.75 makes possible a COD conversion of 70%. A kinetic study was carried out using a modified pseudo-first-order model. The experiments performed at different temperatures allowed the calculation of the Arrhenius equation parameters and the global activation energy for the pseudo-first-order reaction (28.2 kJ/mol).

  5. The Oxidation of 2-(2-Methoxyethoxyethanol and 2-(2-Ethoxyethoxyethanol by Ditelluratocuprate(III: A Kinetic and Mechanistic Study

    Directory of Open Access Journals (Sweden)

    Jin-huan Shan

    2013-01-01

    Full Text Available The oxidation of 2-(2-methoxyethoxyethanol (MEE and 2-(2-ethoxyethoxyethanol (EEE by ditelluratocuprate(III (DTC had been studied spectrophotometrically in alkaline medium. The reaction between and showed first-order dependence in DTC and fractional order in MEE and EEE. The rate constant of the pseudo-first-order reaction decreased with an increase of [TeO4  2−], whereas adding [OH−] enhanced the constant. In addition, the reaction had a negative salt effect. The rate of EEE was higher than that of MEE. A suitable assumption involving preequilibriums before the rate-controlling step and a free radical mechanism was proposed, based on the kinetic data. Activation parameters and the rate constant of the rate-determining step were calculated.

  6. Renormalization group theory for temperature-driven first-order phase transitions in scalar models

    Science.gov (United States)

    Liang, Ning; Zhong, Fan

    2017-12-01

    We study the scaling and universal behavior of temperature-driven first-order phase transitions in scalar models. These transitions are found to exhibit rich phenomena, though they are controlled by a single complex-conjugate pair of imaginary fixed points of ϕ 3 theory. Scaling theories and renormalization group theories are developed to account for the phenomena, and three universality classes with their own hysteresis exponents are found: a field-like thermal class, a partly thermal class, and a purely thermal class, designated, respectively, as Thermal Classes I, II, and III. The first two classes arise from the opposite limits of the scaling forms proposed and may cross over to each other depending on the temperature sweep rate. They are both described by a massless model and a purely massive model, both of which are equivalent and are derived from ϕ 3 theory via symmetry. Thermal Class III characterizes the cooling transitions in the absence of applied external fields and is described by purely thermal models, which include cases in which the order parameters possess different symmetries and thus exhibit different universality classes. For the purely thermal models whose free energies contain odd-symmetry terms, Thermal Class III emerges only at the mean-field level and is identical to Thermal Class II. Fluctuations change the model into the other two models. Using the extant three- and two-loop results for the static and dynamic exponents for the Yang-Lee edge singularity, respectively, which falls into the same universality class as ϕ 3 theory, we estimate the thermal hysteresis exponents of the various classes to the same precision. Comparisons with numerical results and experiments are briefly discussed.

  7. Statistical mechanics of random geometric graphs: Geometry-induced first-order phase transition.

    Science.gov (United States)

    Ostilli, Massimo; Bianconi, Ginestra

    2015-04-01

    Random geometric graphs (RGGs) can be formalized as hidden-variables models where the hidden variables are the coordinates of the nodes. Here we develop a general approach to extract the typical configurations of a generic hidden-variables model and apply the resulting equations to RGGs. For any RGG, defined through a rigid or a soft geometric rule, the method reduces to a nontrivial satisfaction problem: Given N nodes, a domain D, and a desired average connectivity 〈k〉, find, if any, the distribution of nodes having support in D and average connectivity 〈k〉. We find out that, in the thermodynamic limit, nodes are either uniformly distributed or highly condensed in a small region, the two regimes being separated by a first-order phase transition characterized by a O(N) jump of 〈k〉. Other intermediate values of 〈k〉 correspond to very rare graph realizations. The phase transition is observed as a function of a parameter a∈[0,1] that tunes the underlying geometry. In particular, a=1 indicates a rigid geometry where only close nodes are connected, while a=0 indicates a rigid antigeometry where only distant nodes are connected. Consistently, when a=1/2 there is no geometry and no phase transition. After discussing the numerical analysis, we provide a combinatorial argument to fully explain the mechanism inducing this phase transition and recognize it as an easy-hard-easy transition. Our result shows that, in general, ad hoc optimized networks can hardly be designed, unless to rely to specific heterogeneous constructions, not necessarily scale free.

  8. Shape of the acoustic gravitational wave power spectrum from a first order phase transition

    Science.gov (United States)

    Hindmarsh, Mark; Huber, Stephan J.; Rummukainen, Kari; Weir, David J.

    2017-11-01

    We present results from large-scale numerical simulations of a first order thermal phase transition in the early Universe, in order to explore the shape of the acoustic gravitational wave and the velocity power spectra. We compare the results with the predictions of the recently proposed sound shell model. For the gravitational wave power spectrum, we find that the predicted k-3 behavior, where k is the wave number, emerges clearly for detonations. The power spectra from deflagrations show similar features, but exhibit a steeper high-k decay and an extra feature not accounted for in the model. There are two independent length scales: the mean bubble separation and the thickness of the sound shell around the expanding bubble of the low temperature phase. It is the sound shell thickness which sets the position of the peak of the power spectrum. The low wave number behavior of the velocity power spectrum is consistent with a causal k3, except for the thinnest sound shell, where it is steeper. We present parameters for a simple broken power law fit to the gravitational wave power spectrum for wall speeds well away from the speed of sound where this form can be usefully applied. We examine the prospects for the detection, showing that a LISA-like mission has the sensitivity to detect a gravitational wave signal from sound waves with an RMS fluid velocity of about 0.05 c , produced from bubbles with a mean separation of about 10-2 of the Hubble radius. The shape of the gravitational wave power spectrum depends on the bubble wall speed, and it may be possible to estimate the wall speed, and constrain other phase transition parameters, with an accurate measurement of a stochastic gravitational wave background.

  9. Can eustatic charts go beyond first-order? Insights from the Permo-Triassic

    Science.gov (United States)

    Guillaume, Benjamin; Monteux, Julien; Pochat, Stéphane; Husson, Laurent; Choblet, Gaël

    2016-04-01

    To the first order, eustatic charts are in accord with our understanding of the geodynamic processes that control sea level. By extrapolation, second-order features are also thought to obey to the same rules, and are thus often taken for granted. But this assumption may be jeopardized by a close examination of a characteristic example. The Permo-Triassic period is characteristic for both its purported eustatic signal and its geodynamic and climatic setting are well defined and contrasted. Both the fragmentation of the Pangean supercontinent and the late Paleozoic melting of ice sheets argue for a rise of the eustatic sea level (ESL) whereas eustatic charts show the opposite. Here we review the possible mechanisms that could explain the apparent sea level low, and find that some of them do lower the ESL while others instead only modify the referential, either uplifting continents or tilting the margins where the control points are located. In the first category, we find that (i) dynamic deflections of the Earth surface above subduction zones and their location with respect to continents primarily control absolute sea level while the Pangean supercontinent forms and breaks up, (ii) endorheism that ubiquitously developed at the time of Pangean aggregation also contributed to lowering the ESL by storing water out of the oceanic reservoir. In the second category, we show that (i) the thermal uplift associated to supercontinental insulation and (ii) the dynamic uplift associated with the emplacement of a superplume both give rates of change in the range of long-term changes of ESL. We also show that (iii) the dynamic tilting of continental margins not only produces apparent sea level changes, but also modifies the absolute sea level, which in turn may end up in the paradoxical situation wherein fingerprints of ESL drop are found in the geological record whereas ESL is actually rising. We conclude that the establishment of second to third order absolute sea level changes

  10. Trophic structure of fish fauna along the longitudinal gradient of a first-order rural stream

    Directory of Open Access Journals (Sweden)

    Jardel Nimet

    2015-12-01

    Full Text Available Abstract Aim: This study evaluated the trophic structure of the fish assemblage along the longitudinal gradient of a first-order rural stream. Methods Fish were sampled by electrofishing technique in December 2007, September 2008 and March 2009, at three stretch of the Itiz stream (headwater, middle and mouth. We sampled 1,255 individuals relating to 18 species. The categorization of trophic guilds was based on stomach content data of 1,096 individuals, analyzed according to the volumetric method, except for four species, which were classified according to the literature. To test the hypothesis of differences in the richness, abundance and biomass of trophic guilds along the headwater-mouth gradient, it was performed non-parametric statistical analysis of the dietary data. Was also calculated, the amplitude of trophic niche (Levins's index for each guild. To summarize the composition and abundance of the trophic guilds along the longitudinal gradient, we applied a non-metric multidimensional scaling (NMDS. Results We registered seven guilds: herbivorous, detritivorous, aquatic insectivorous, terrestrial insectivorous, invertivorous, omnivorous and piscivorous, the latter was exclusive to headwater and middle stretches. The omnivorous guild was not recorded in the headwater. Through PERMANOVA analysis it was found that the species richness of more specialized guilds (detritivorous and insectivorous terrestrial and of generalist invertivorous increased, while less specialized guilds like aquatic insectivorous and herbivorous, decrease significantly in headwater-mouth direction. Except by the non-expected increase of insectivorous terrestrial and decrease of herbivorous downstream, the non-metric multidimensional scaling (NMDS identified longitudinal variations in abundance and biomass of the guilds that agree with general patterns of fish guilds distribution along environmental gradients. Conclusion These results suggest that the influence of

  11. Solute transport in aquifers: The comeback of the advection dispersion equation and the First Order Approximation

    Science.gov (United States)

    Fiori, A.; Zarlenga, A.; Jankovic, I.; Dagan, G.

    2017-12-01

    Natural gradient steady flow of mean velocity U takes place in heterogeneous aquifers of random logconductivity Y = lnK , characterized by the normal univariate PDF f(Y) and autocorrelation ρY, of variance σY2 and horizontal integral scale I. Solute transport is quantified by the Breakthrough Curve (BTC) M at planes at distance x from the injection plane. The study builds on the extensive 3D numerical simulations of flow and transport of Jankovic et al. (2017) for different conductivity structures. The present study further explores the predictive capabilities of the Advection Dispersion Equation (ADE), with macrodispersivity αL given by the First Order Approximation (FOA), by checking in a quantitative manner its applicability. After a discussion on the suitable boundary conditions for ADE, we find that the ADE-FOA solution is a sufficiently accurate predictor for applications, the many other sources of uncertainty prevailing in practice notwithstanding. We checked by least squares and by comparison of travel time of quantiles of M that indeed the analytical Inverse Gaussian M with αL =σY2 I , is able to fit well the bulk of the simulated BTCs. It tends to underestimate the late arrival time of the thin and persistent tail. The tail is better reproduced by the semi-analytical MIMSCA model, which also allows for a physical explanation of the success of the Inverse Gaussian solution. Examination of the pertinent longitudinal mass distribution shows that it is different from the commonly used Gaussian one in the analysis of field experiments, and it captures the main features of the plume measurements of the MADE experiment. The results strengthen the confidence in the applicability of the ADE and the FOA to predicting longitudinal spreading in solute transport through heterogeneous aquifers of stationary random structure.

  12. Full correspondence between asymmetric filling of slits and first-order phase transition lines

    Directory of Open Access Journals (Sweden)

    Leszek Szybisz

    2011-12-01

    Full Text Available Adsorption on single planar walls and filling of slits with identical planar walls are investigated in the frame of the density functional theory. In this sort of slits the external potential is symmetric with respect to its central plane. Calculations were carried out by applying both the canonical and grand canonical ensembles (CE and GCE, respectively. The behavior is analyzed by varying the strength of the adsorbate-substrate attraction, the temperature T, and the coverage Γℓ. Results obtained for physisorption of Xe on alkaline surfaces are reported in the present work. Prewetting (PW lines and wetting temperatures, Tw, are determined from the analysis of adsorption on single walls. The filling of slits is analyzed for temperatures T > Tw. It is found that whenever for a given Xe-substrate combination the adsorption on a single wall exhibits a first-order wetting transition then asymmetric profiles that break the left-right symmetry of the external potential appear in the filling of an equivalent slit. These spontaneously symmetry breaking (SSB solutions occur in a restricted range of Γℓ with a T-dependent width. In the case of closed slits analyzed in the CE scheme, the obtained asymmetric profiles exhibit lower Helmholtz free energies than the symmetric species and, therefore, could be stabilized in this geometry. For open slits, the GCE scheme yields all the symmetric and SSB states in the corresponding convex regimes of the free energy. It is shown that both the CE and the GCE frames yield three coexistent states, two symmetric and one asymmetric twofold degenerate. Both a PW line and the related SSB effect terminate at the same temperature. For rather strongly attractive surfaces reentrant SSB states are found at a fixed value of T.

  13. Unmixing Multi-Component Magnetic Mixtures in Geologic Materials Using First Order Reversal Curve Diagrams

    Science.gov (United States)

    Lascu, I.; Harrison, R. J.; Li, Y.; Muraszko, J.; Channell, J. E. T.; Piotrowski, A. M.; Hodell, D. A.; Necula, C.; Panaiotu, C. G.

    2015-12-01

    We have developed a magnetic unmixing method based on principal component analysis (PCA) of first-order reversal curve (FORC) diagrams. PCA provides an objective and robust statistical framework for unmixing, because it represents data variability as a linear combination of a limited number of principal components that are derived purely on the basis of natural variations contained within the dataset. For PCA we have resampled FORC distributions on grids that capture diagnostic signatures of magnetic domain states. Individual FORC diagrams were then recast as linear combinations of end-member (EM) FORC diagrams, located at user-defined positions in PCA space. The EM selection is guided by constraints derived from physical modeling, and is imposed by data scatter. To test our model, we have investigated temporal variations of two EMs in bulk North Atlantic sediment cores collected from the Rockall Trough and the Iberian Continental Margin. Sediments from these sites contain a mixture of magnetosomes and granulometrically distinct detrital magnetite. We have also quantified the spatial variation of three EM components in surficial sediments along the flow path of the North Atlantic Deep Water (NADW). These samples were separated into granulometric fractions, which also assisted in constraining EM definition. The unmixing model reveals systematic variations in EM relative abundance as a function of distance along NADW flow. Finally, we have applied PCA to the combined dataset of Rockall Trough and NADW sediments, which can be recast as a four-EM mixture, providing enhanced discrimination between components. Our method forms the foundation of a general solution to the problem of unmixing multi-component magnetic mixtures, a fundamental task of rock magnetic studies.

  14. Effect of humic acid on the adsorption/desorption behavior of glyphosate on goethite. Isotherms and kinetics.

    Science.gov (United States)

    Arroyave, Jeison Manuel; Waiman, Carolina C; Zanini, Graciela P; Avena, Marcelo J

    2016-02-01

    The effects of humic acid (HA) on the adsorption/desorption of glyphosate (Gly) on goethite were investigated under pseudo equilibrium conditions by adsorption isotherms and under kinetic conditions by ATR-FTIR spectroscopy. Isotherms reveal that the attachment of Gly is almost completely inhibited by HA molecules. The opposite effect is not observed: HA adsorption is not affected by the presence of Gly. ATR-FTIR allowed the simultaneous detection of adsorbed HA and Gly during kinetic runs, revealing that HA at the surface decreases markedly the adsorption rate of Gly likely as a result of a decreased availability of sites for Gly adsorption and because of electrostatic repulsion. In addition, HA in solution increases the desorption rate of Gly. The rate law for Gly desorption could be determined giving important insights on the desorption mechanism. The herbicide is desorbed by two parallel processes: i) a direct detachment from the surface, which is first order in adsorbed Gly; and ii) a ligand exchange with HA molecules, which is first order in adsorbed Gly and first order in dissolved HA. Rate constants for both processes were quantified, leading to half-lives of 3.7 h for the first process, and 1.4 h for the second process in a 400 mg L(-1) HA solution. These data are important for modeling the dynamics of glyphosate in environmentally relevant systems, such as soils and surface waters. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. The Upper Rhine Graben revisited: Miocene transtension and transpression account for the observed first-order structures

    National Research Council Canada - National Science Library

    Rotstein, Y; Schaming, M

    2011-01-01

    [1] Although the Upper Rhine Graben (URG) has been studied extensively for years, the origin of some of its first-order structures is still under debate, particularly the relatively young uplift of the Vosges Mountains (VM...

  16. Finite element method for neutron transport. 7. Completely boundary-free maximum principle for the first-order Boltzmann equation

    Energy Technology Data Exchange (ETDEWEB)

    Ackroyd, R.T. (UKAEA Risley Nuclear Power Development Establishment. Process Technology and Safety Directorate)

    1983-01-01

    A completely boundary-free maximum principle for the first-order Boltzmann equation is derived from the completely boundary-free maximum principle for the mixed-parity Boltzmann equation. When continuity is imposed on the trial function for directions crossing interfaces the completely boundary-free principle for the first-order Boltzmann equation reduces to a maximum principle previously established directly from first principles and indirectly by the Euler-Lagrange method. Present finite element methods for the first-order Boltzmann equation are based on a weighted-residual method which permits the use of discontinuous trial functions. The new principle for the first-order equation can be used as a basis for finite-element methods with the same freedom from boundary conditions as those based on the weighted-residual method. The extremum principle as the parent of the variationally-derived weighted-residual equations ensures their good behaviour.

  17. Pseudo-Weak-R0 Algebras

    Directory of Open Access Journals (Sweden)

    Yong Lin Liu

    2014-01-01

    Full Text Available A positive answer to the open problem of Iorgulescu on extending weak-R0 algebras and R0-algebras to the noncommutative forms is given. We show that pseudo-weak-R0 algebras are categorically isomorphic to pseudo-IMTL algebras and that pseudo-R0 algebras are categorically isomorphic to pseudo-NM algebras. Some properties, the noncommutative forms of the properties in weak-R0 algebras and R0-algebras, are investigated. The simplified axiom systems of pseudo-weak-R0 algebras and pseudo-R0 algebras are obtained.

  18. Exending pseudo-arcs in odd characteristic

    OpenAIRE

    Penttila, Tim; Van de Voorde, Geertrui

    2015-01-01

    A {\\em pseudo-arc} in $\\mathrm{PG}(3n-1,q)$ is a set of $(n-1)$-spaces such that any three of them span the whole space. A pseudo-arc of size $q^n+1$ is a {\\em pseudo-oval}. If a pseudo-oval $\\mathcal{O}$ is obtained by applying field reduction to a conic in $\\mathrm{PG}(2,q^n)$, then $\\mathcal{O}$ is called a {\\em pseudo-conic}. We first explain the connection of (pseudo-)arcs with Laguerre planes, orthogonal arrays and generalised quadrangles. In particular, we prove that the Ahrens-Szekere...

  19. W-phase estimation of first-order rupture distribution for megathrust earthquakes

    Science.gov (United States)

    Benavente, Roberto; Cummins, Phil; Dettmer, Jan

    2014-05-01

    Estimating the rupture pattern for large earthquakes during the first hour after the origin time can be crucial for rapid impact assessment and tsunami warning. However, the estimation of coseismic slip distribution models generally involves complex methodologies that are difficult to implement rapidly. Further, while model parameter uncertainty can be crucial for meaningful estimation, they are often ignored. In this work we develop a finite fault inversion for megathrust earthquakes which rapidly generates good first order estimates and uncertainties of spatial slip distributions. The algorithm uses W-phase waveforms and a linear automated regularization approach to invert for rupture models of some recent megathrust earthquakes. The W phase is a long period (100-1000 s) wave which arrives together with the P wave. Because it is fast, has small amplitude and a long-period character, the W phase is regularly used to estimate point source moment tensors by the NEIC and PTWC, among others, within an hour of earthquake occurrence. We use W-phase waveforms processed in a manner similar to that used for such point-source solutions. The inversion makes use of 3 component W-phase records retrieved from the Global Seismic Network. The inverse problem is formulated by a multiple time window method, resulting in a linear over-parametrized problem. The over-parametrization is addressed by Tikhonov regularization and regularization parameters are chosen according to the discrepancy principle by grid search. Noise on the data is addressed by estimating the data covariance matrix from data residuals. The matrix is obtained by starting with an a priori covariance matrix and then iteratively updating the matrix based on the residual errors of consecutive inversions. Then, a covariance matrix for the parameters is computed using a Bayesian approach. The application of this approach to recent megathrust earthquakes produces models which capture the most significant features of

  20. First-order estimate of the planktic foraminifer biomass in the modern ocean

    Directory of Open Access Journals (Sweden)

    R. Schiebel

    2012-09-01

    Full Text Available Planktic foraminifera are heterotrophic mesozooplankton of global marine abundance. The position of planktic foraminifers in the marine food web is different compared to other protozoans and ranges above the base of heterotrophic consumers. Being secondary producers with an omnivorous diet, which ranges from algae to small metazoans, planktic foraminifers are not limited to a single food source, and are assumed to occur at a balanced abundance displaying the overall marine biological productivity at a regional scale. With a new non-destructive protocol developed from the bicinchoninic acid (BCA method and nano-photospectrometry, we have analysed the protein-biomass, along with test size and weight, of 754 individual planktic foraminifers from 21 different species and morphotypes. From additional CHN analysis, it can be assumed that protein-biomass equals carbon-biomass. Accordingly, the average individual planktic foraminifer protein- and carbon-biomass amounts to 0.845 μg. Samples include symbiont bearing and symbiont-barren species from the sea surface down to 2500 m water depth. Conversion factors between individual biomass and assemblage-biomass are calculated for test sizes between 72 and 845 μm (minimum test diameter. Assemblage-biomass data presented here include 1128 sites and water depth intervals. The regional coverage of data includes the North Atlantic, Arabian Sea, Red Sea, and Caribbean as well as literature data from the eastern and western North Pacific, and covers a wide range of oligotrophic to eutrophic waters over six orders of magnitude of planktic-foraminifer assemblage-biomass (PFAB. A first order estimate of the average global planktic foraminifer biomass production (>125 μm ranges from 8.2–32.7 Tg C yr−1 (i.e. 0.008–0.033 Gt C yr−1, and might be more than three times as high including neanic and juvenile individuals adding up to 25–100 Tg C yr−1. However, this is a first

  1. A sharp analysis on the asymptotic behavior of the Durbin-Watson statistic for the first-order autoregressive process

    OpenAIRE

    Bercu, Bernard; Proia, Frédéric

    2013-01-01

    International audience; The purpose of this paper is to provide a sharp analysis on the asymptotic behavior of the Durbin-Watson statistic. We focus our attention on the first-order autoregressive process where the driven noise is also given by a first-order autoregressive process. We establish the almost sure convergence and the asymptotic normality for both the least squares estimator of the unknown parameter of the autoregressive process as well as for the serial correlation estimator asso...

  2. Kinetic study of ozonation of molasses fermentation wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Coca, M. [Departamento de Ingenieria Quimica y Tecnologia del Medio Ambiente, Universidad de Valladolid, Prado de la Magdalena s/n, 47011 Valladolid (Spain)], E-mail: monica@iq.uva.es; Pena, M.; Gonzalez, G. [Departamento de Ingenieria Quimica y Tecnologia del Medio Ambiente, Universidad de Valladolid, Prado de la Magdalena s/n, 47011 Valladolid (Spain)

    2007-10-22

    A kinetic study of molasses wastewater ozonation was carried out in a stirred tank reactor to obtain the rate constants for the decolorization reaction and the regime through which ozone is absorbed. First, fundamental mass transfer parameters such as ozone solubility, volumetric mass transfer coefficients and ozone decomposition kinetics were determined from semi-batch experiments in organic-free solutions with an ionic composition similar that of industrial wastewater. The influence of operating variables such as the stirring rate and gas flow rate on the kinetic and mass transfer parameters was also studied. The application of film theory allows to establish that the reactions between ozone and colored compounds in wastewater take place in the fast and pseudo-first-order regime, within the liquid film. The decolorization rate constants were evaluated at pH 8.7 and 25 deg. C, varying from 0.6 x 10{sup 7} to 3.8 x 10{sup 7} L mol{sup -1} s{sup -1}, depending on the stirring rate and the inlet gas flow.

  3. Kinetics of Adsorption of Nickel Ion on Kankara Kaolinite

    Directory of Open Access Journals (Sweden)

    Lawrence C. EDOMWONYI-OTU

    2013-06-01

    Full Text Available In this work, the kinetics and dynamics of nickel ion adsorption on calcined kaolinite clay were studied. The Kinetic models (k1=0.025, k2=0.00065 and ki=2.089 g/(mg·min were evaluated in order to identify potential adsorption mechanisms. The kinetic data were best represented by the pseudo first order model (R2=0.959 and the adsorption process is favored by decrease in pH i.e. Acidic condition (below 5.0. The Langmuir model was found to best suit the adsorption isotherm of nickel ion on clay than the Freundlich model. The maximum adsorption capacity of Kankara kaolinite was found to be 97.68% at a temperature of 50°C and pH of 2. The intra-particle diffusion model suggests that the process was diffusion controlled. The thermodynamic data indicates that the adsorption reaction is spontaneous with an increase in Gibbs free energy (∆G>0 and purely physisorption and exothermal in nature (∆H = -19.837 kJ/mol.

  4. Punishing second-order free riders before first-order free riders: The effect of pool punishment priority on cooperation.

    Science.gov (United States)

    Ozono, Hiroki; Kamijo, Yoshio; Shimizu, Kazumi

    2017-10-30

    Second-order free riders, who do not owe punishment cost to first-order free riders in public goods games, lead to low cooperation. Previous studies suggest that for stable cooperation, it is critical to have a pool punishment system with second-order punishment, which gathers resources from group members and punishes second-order free riders as well as first-order free riders. In this study, we focus on the priority of punishment. We hypothesize that the pool punishment system that prioritizes second-order punishment is more likely to achieve cooperation than the system that prioritizes first-order punishment, because the former is more likely to obtain sufficient punishment resources. In the experiments, we compare four pool punishment systems: 1To2 (first-order punishment to second-order punishment), 2To1 (second-order punishment to first-order punishment), 1ONLY (first-order punishment only), and 2ONLY (second-order punishment only). We find that the 2To1 and 2ONLY systems can receive more support than the 1To2 and 1ONLY systems and only the 2To1 system can achieve high cooperation. However, the effect of priority of second-order punishment is observed only when the punishment ratio (PR) is low (Experiment 1), not high (Experiment 2), in which the punishment resource is relatively abundant.

  5. Review of reactive kinetic models describing reductive dechlorination of chlorinated ethenes in soil and groundwater

    DEFF Research Database (Denmark)

    Chambon, Julie Claire Claudia; Bjerg, Poul Løgstrup; Scheutz, Charlotte

    2013-01-01

    include first order kinetics, Monod kinetics to describe sequential reductive dechlorination and bacterial growth, and metabolic models which simulate fermentation and redox processes interacting with reductive dechlorination processes. The review shows that the estimated kinetic parameters reported vary...

  6. Isotherm, Kinetic and Thermodynamic Characteristics for Adsorption of Congo Red by Activated Carbon

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jong Jib [Kongju National University, Cheonan (Korea, Republic of)

    2015-02-15

    Batch experiment studies were carried out for adsorption of congo red using granular activated carbon with various parameters such as activated carbon dose, pH, initial dye concentration, temperature and contact time. Equilibrium experimental data are fitted to the Langmuir, Freundlich, Temkin and Dubin-Radushkevich isotherm equations. From Freundlich's separation factor (1/n) estimated, adsorption could be employed as effective treatment method for adsorption of congo red from aqueous solution. Base on Temkin constant (B) and Dubinin-Radushkevich constant (E), this adsorption process is physical adsorption. Adsorption kinetics has been tested using pseudo-first order and pseudo second order models. The results followed pseudo second order model with good correlation. Adsorption process of congo red on granular activated carbon was endothermic (ΔH=42.036 kJ/mol) and was accompanied by decrease in Gibbs free energy (ΔG=-2.414 to -4.596 kJ/mol) with increasing adsorption temperature.

  7. Adsorption kinetic parameters of Fe3+ and Ni2+ ions by gyrolite

    Directory of Open Access Journals (Sweden)

    Kestutis Baltakys

    2015-03-01

    Full Text Available In this work the adsorption kinetic parameters for Fe3+ and Ni2+ ions by gyrolite are presented. Additionally, the adsoption mechanism was described by using pseudo first order and pseudo second order  equations. It was determined that the adsorption capacity of gyrolite and intrusion of heavy metals ions in its structure depends on reaction time and the pH value of adsorptive. It was observed that the incorporation of Fe3+ ions occurs more intensive than Ni2+ ions. It was found that in the acidic solution the intrusion of Fe3+ ions into gyrolite structure proceeds by two types of chemical reaction mechanisms: substitution and addition. Meanwhile, nickel ions were participated only in substitution reaction: gyrolite-Ca0 + Mex+ ↔ gyrolite-Me0 + Ca2+. It was observed that the pseudo second order model fit well for iron and nickel ions adsorption mechanism. It was estimated that the adsorption reactions are not reversible process and the crystal structure of gyrolite is stable. Moreover, synthetic adsorbent and the products of sorption were characterized by XRD, STA and FT-IR methods.DOI: http://dx.doi.org/10.5755/j01.ms.21.1.5735

  8. Extractive efficacy of microwave synthesized zeolitic material for acephate: Equilibrium and kinetics

    Directory of Open Access Journals (Sweden)

    Shah Bhavna A.

    2013-01-01

    Full Text Available Present investigation deals with the utilization of Bagasse fly ash (BFA a sugar industry waste and Zeolitic material (MZBFA, synthesized from BFA by combined conventional and microwave reflux method as adsorbents for the extraction of Acephate (ACP, an organophosphorus pesticide from aqueous solution. The synthesized adsorbents were characterized using various techniques such as FTIR, PXRD and SEM. The effect of various experimental parameters has been investigated using a batch adsorption technique for the extraction of ACP. The extent of removal is increased with decrease in initial ACP concentration and particle size of the adsorbent. Adsorption was fast and the equilibrium was established within 90 min. Pseudo-first-order, Pseudo-second-order, Bangham and intra-particle particle diffusion models were used to fit the experimental data. Pseudo-second-order rate equation was able to provide realistic description of adsorption kinetics. Equilibrium isotherms were analyzed by Freundlich, Langmuir, Dubinin-Radushkevich and Tempkin isotherm equations. Langmuir equation was found to best represent the equilibrium data. The thermodynamic study showed that adsorption of ACP on MZBFA is higher than that on BFA. The results indicate that such Zeolitic material could be employed as low cost alternatives to Bagasse fly ash in wastewater treatment for the removal of pesticides.

  9. Kinetics of the adsorption of strontium ions by a crosslinked copolymer containing methacrylic acid functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Oezeroglu, C.; Keceli, G. [Istanbul Univ. (Turkey). Dept. of Chemistry

    2007-07-01

    The crosslinked copolymers of ethylene glycol dimethacrylate (EGDM) and methacrylic acid (MA) containing different amounts of MA as weight percentage (MA content = 10.00%, 25.00% and 50.00%) were synthesized by using BPO-DMA initiator system at room temperature. Infrared (FTIR) and thermal gravimetric analysis (TGA) were used to characterize the crosslinked copolymers. The crosslinked copolymer containing 25.00% of MA as weight percentage (w/w) was used as adsorbent for the removal of strontium ions from aqueous solution. The effects of parameters including strontium concentration, agitation time, temperature and pH were examined. Kinetics of the adsorption of strontium ions on the copolymer bearing methacrylic acid functional groups from aqueous solution at various initial strontium concentrations was studied. Goodness of experimental results to the Elovich, fractional powder, pseudo-first order and pseudo-second order models have been examined. The pseudo-second order model provided a high degree of correlation with the experimental data for the adsorption process of strontium ion on the crosslinked copolymer bearing methacrylic acid functional groups from aqueous solutions. (orig.)

  10. Dilution and Mixing in transient velocity fields: a first-order analysis

    Science.gov (United States)

    Di Dato, Mariaines; de Barros, Felipe, P. J.; Fiori, Aldo; Bellin, Alberto

    2017-04-01

    An appealing remediation technique is in situ oxidation, which effectiveness is hampered by difficulties in obtaining good mixing of the injected oxidant with the contaminant, particularly when the contaminant plume is contained and therefore its deformation is physically constrained. Under such conditions (i.e. containment), mixing may be augmented by inducing temporal fluctuations of the velocity field. The temporal variability of the flow field may increase the deformation of the plume such that diffusive mass flux becomes more effective. A transient periodic velocity field can be obtained by an engineered sequence of injections and extractions from wells, which may serve also as a hydraulic barrier to confine the plume. Assessing the effectiveness of periodic flows to maximize solute mixing is a difficult task given the need to use a 3D setup and the large number of possible flow configurations that should be analyzed in order to identify the optimal one. This is the typical situation in which analytical solutions, though approximated, may assist modelers in screening possible alternative flow configurations such that solute dilution is maximized. To quantify dilution (i.e. a precondition that enables reactive mixing) we utilize the concept of the dilution index [1]. In this presentation, the periodic flow takes place in an aquifer with spatially variable hydraulic conductivity field which is modeled as a Stationary Spatial Random Function. We developed a novel first-order analytical solution of the dilution index under the hypothesis that the flow can be approximated as a sequence of steady state configurations with the mean velocity changing with time in intensity and direction. This is equivalent to assume that the characteristic time of the transient behavior is small compared to the period characterizing the change in time of the mean velocity. A few closed paths have been analyzed quantifying their effectiveness in enhancing dilution and thereby mixing

  11. Metal accumulation kinetics by the estuarine macroalga, Fucus ceranoides

    Science.gov (United States)

    Varma, Ranjit; Turner, Andrew; Brown, Murray T.; Millward, Geoff E.

    2013-08-01

    The kinetics of Cu, Cd and Pb accumulation by the macroalga, Fucus ceranoides, was studied under simulated estuarine conditions. Accumulation of Cu and Pb proceeded via a pseudo-first-order reaction that was reversible, suggesting desorption or efflux of accumulated metal, with forward rate constants on the order of 0.1 h-1. For both metals, reaction reversibility increased and the equilibrium constant decreased with increasing salinity (from 1 to 33.5) and system response times were <10 h throughout. Accumulation of Cd proceeded via a first-order reaction that was irreversible, suggesting little desorption or efflux of metal, with rate constants that decreased with increasing salinity (from 0.023 to 0.015 h-1) and reaction half-lives ranging from approximately 30-50 h. Inorganic equilibrium speciation calculations suggest that interactions of Cu, Cd and Pb principally involve the respective free ions, but that additional ions (e.g. CdCl+) and biotic processes may also be significant.

  12. Removal of Cr(VI from Aqueous Solution Using Modified Pomegranate Peel : Equilibrium and Kinetic Studies

    Directory of Open Access Journals (Sweden)

    Tariq S. Najim

    2009-01-01

    Full Text Available The present investigation deals with the utilization of modified pomegrenate peel (MPGP and formaldehyde modified pomegrenate peel (FMPGP as adsorbents for the removal of chromium Cr(VI from aqueous solution. A series of experiments were conducted in a batch system to evaluate the effect of system variables. The effect of pH, initial Cr(VI concentration, contact time, adsorbent dosage and temperature were considered. The optimal pH values of Cr(VI removal by MPGP and FMPGP were 2.0 and 3.0 respectively. The time required for equilibrium was found to be about 100 minutes. The initial Cr(VI concentration and adsorbent dosage was found to have large effect on the adsorption of Cr(VI. The maximum uptake capacities were 13.01 and 22.28 mg of Cr(VI per gram of MPGP and FMPGP respectively. Adsorption kinetic data were tested using pseudo-first order, pseudo-second order, Elovich and intra-particle diffusion models. Kinetic studies showed that the adsorption followed a pseudo second order reaction due to the high correlation coefficient and the agreement between the experimental and calculated values of qe.The adsorption may follow intraparticle diffusion as well, due to the highest values of rate constants for the surface adsorption and intraparticle diffusion kinetic models, the higher values of rate constants are related to an improved bonding between Cr(VI ions and adsorbent particle.The Dubinin-radushkevich, Freundlich and Tempkin models were the closest fit for the equilibrium data of MPGP and FMPGP.

  13. Kinetic and Thermodynamics of Methylene Blue Adsorption onto Zero Valent Iron Supported on Mesoporous Silica

    Directory of Open Access Journals (Sweden)

    Atyaf Khalid Hameed

    2016-08-01

    Full Text Available Zero valent iron supported on mesoporous silicanano particles (NZVI/MSNs was prepared by the aqueous phase borohydride reduction methods. Prior to the reduction, mesoporous silica nanoparticles (MSNs were prepared through the activation of fumed silica with concentrated HCl by refluxing at 90 °C. FTIR, XRD, FESEM, EDX and BET were used to characterize theadsorbents prepared. BET surface areas of MSNs, NZVI, and NZVI/MSNs were 126, 41, and 72 m2/g for, respectively. The performance of NZVI/MSNs as adsorbent was examined by adsorption of methylene blue (MB, performed in series of batch experiments. In the kinetic studies, pseudo first order and pseudo second order kinetic models were examined. The pseudo second order equation provided the best fit with the experimental data. Thermodynamic studies indicated that the adsorption process is endothermic with ΔH° was 90.53 kJ/mol. Positive ΔS° (300 J/mol and negative ΔG° (-6.42 kJ/mol was recorded, indicating the spontaneous of the adsorption process and naturally favorable. Copyright © 2016 BCREC GROUP. All rights reserved Received: 5th March 2016; Revised: 18th March 2016; Accepted: 18th March 2016 How to Cite: Hameed, A.K., Dewayanto, N., Dongyun, D., Nordin, M.R., Mohd Hasbi Ab. Rahim, M.H.A. (2016. Kinetic and Thermodynamics of Methylene Blue Adsorption onto Zero Valent Iron Supported on Mesoporous Silica. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (2: 250-261 (doi:10.9767/bcrec.11.2.443.250-261 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.11.2.443.250-261

  14. Equilibrium and kinetics study on hexavalent chromium adsorption onto diethylene triamine grafted glycidyl methacrylate based copolymers.

    Science.gov (United States)

    Maksin, Danijela D; Nastasović, Aleksandra B; Milutinović-Nikolić, Aleksandra D; Suručić, Ljiljana T; Sandić, Zvjezdana P; Hercigonja, Radmila V; Onjia, Antonije E

    2012-03-30

    Two porous and one non-porous crosslinked poly(glycidyl methacrylate-co-ethylene glycol dimethacrylate) [abbreviated PGME] were prepared by suspension copolymerization and functionalized with diethylene triamine [abbreviated PGME-deta]. Samples were characterized by elemental analysis, mercury porosimetry, scanning electron microscopy with energy-dispersive X-ray spectroscopy, and transmission electron microscopy. Kinetics of Cr(VI) sorption by PGME-deta were investigated in batch static experiments, in the temperature range 25-70°C. Sorption was rapid, with the uptake capacity higher than 80% after 30 min. Sorption behavior and rate-controlling mechanisms were analyzed using five kinetic models (pseudo-first order, pseudo-second order, Elovich, intraparticle diffusion and Bangham model). Kinetic studies showed that Cr(VI) adsorption adhered to the pseudo-second-order model, with definite influence of pore diffusion. Equilibrium data was tested with Langmuir, Freundlich and Tempkin adsorption isotherm models. Langmuir model was the most suitable indicating homogeneous distribution of active sites on PGME-deta and monolayer sorption. The maximum adsorption capacity from the Langmuir model, Q(max), at pH 1.8 and 25°C was 143 mg g(-1) for PGME2-deta (sample with the highest amino group concentration) while at 70°C Q(max) reached the high value of 198 mg g(-1). Thermodynamic parameters revealed spontaneous and endothermic nature of Cr(VI) adsorption onto PGME-deta. Copyright © 2012 Elsevier B.V. All rights reserved.

  15. Kinetics and equilibrium studies for the adsorption of Acid Red 57 from aqueous solutions onto calcined-alunite.

    Science.gov (United States)

    Tunali, Sibel; Ozcan, A Safa; Ozcan, Adnan; Gedikbey, Tevfik

    2006-07-31

    The adsorption of Acid Red 57 (AR57) onto calcined-alunite was examined in aqueous solution in a batch system with respect to contact time, pH and temperature. The first-order, pseudo-second-order kinetic and the intraparticle diffusion models were used to describe the kinetic data and the rate constants were evaluated. The experimental data fitted very well the pseudo-second-order kinetic model and also followed the intraparticle diffusion model up to 90 min. The Langmuir and Freundlich adsorption models were applied to describe the equilibrium isotherms and the isotherm constants were also determined. The equilibrium data are successfully fitted to the Langmuir adsorption isotherm. The Langmuir isotherm constant, K(L), was used to evaluate the changes of free energy, enthalpy and entropy of adsorption for the adsorption of AR57 onto calcined-alunite. The results indicate that calcined-alunite could be employed as low-cost material for the removal of acid dyes from textile effluents.

  16. Immobilization of phenanthrene onto gemini surfactant modified sepiolite at solid/aqueous interface: Equilibrium, thermodynamic and kinetic studies.

    Science.gov (United States)

    Zhao, Shan; Huang, Guohe; Mu, Sen; An, Chunjiang; Chen, Xiujuan

    2017-11-15

    The immobilization of phenanthrene from aqueous phase onto natural and gemini surfactant modified sepiolite was investigated with respect to contact time, pH, ionic strength and temperature. The surface modification was examined through FT-IR characterization, SEM technique, and the thermogravimetric analysis. The maximum sorption capacity of phenanthrene on modified sepiolite was 95.15μgg-1 with initial PHE concentration 1.0mgL-1, temperature 293K, pH7, and ionic strength 1M. The corresponding PHE removal efficiency was higher than 95%. The Langmuir, Freundlich and Temkin isotherm models were applied to describe the phenanthrene sorption behavior and the Freundlich equation agreed well with the experimental data. The evaluation of the thermodynamic parameters indicated that the immobilization of phenanthrene onto gemini surfactant modified sepiolite was a spontaneous and exothermic process from 283 to 313K. The pseudo-first-order, pseudo-second-order, Elovich, and intraparticle diffusion models were used to evaluate the kinetic data. According to the calculated kinetic parameters, the immobilization process of phenanthrene followed the Elovich kinetic model with the highest correlation coefficients. The obtained results show that gemini surfactant modified sepiolite could be effectively utilized as one type of low-cost clay material to remove polycyclic aromatic hydrocarbons from water effluents. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. A comparative examination of the adsorption mechanism of an anionic textile dye (RBY 3GL) onto the powdered activated carbon (PAC) using various the isotherm models and kinetics equations with linear and non-linear methods

    Science.gov (United States)

    Açıkyıldız, Metin; Gürses, Ahmet; Güneş, Kübra; Yalvaç, Duygu

    2015-11-01

    The present study was designed to compare the linear and non-linear methods used to check the compliance of the experimental data corresponding to the isotherm models (Langmuir, Freundlich, and Redlich-Peterson) and kinetics equations (pseudo-first order and pseudo-second order). In this context, adsorption experiments were carried out to remove an anionic dye, Remazol Brillant Yellow 3GL (RBY), from its aqueous solutions using a commercial activated carbon as a sorbent. The effects of contact time, initial RBY concentration, and temperature onto adsorbed amount were investigated. The amount of dye adsorbed increased with increased adsorption time and the adsorption equilibrium was attained after 240 min. The amount of dye adsorbed enhanced with increased temperature, suggesting that the adsorption process is endothermic. The experimental data was analyzed using the Langmuir, Freundlich, and Redlich-Peterson isotherm equations in order to predict adsorption isotherm. It was determined that the isotherm data were fitted to the Langmuir and Redlich-Peterson isotherms. The adsorption process was also found to follow a pseudo second-order kinetic model. According to the kinetic and isotherm data, it was found that the determination coefficients obtained from linear method were higher than those obtained from non-linear method.

  18. Adsorption of Direct of Yellow ARLE Dye by Activated Carbon of Shell of Coconut Palm: Diffusional Effects on Kinetics and Equilibrium States

    Directory of Open Access Journals (Sweden)

    Aparecido Nivaldo Módenes

    2015-06-01

    Full Text Available In this paper, the characteristics and potential removal of direct yellow ARLE (DYA dye by using coconut palm shell-based activated carbon (CPS-AC were assessed. Both kinetic and equilibrium experimental data were obtained from a series of DYA dye sorption experiments. All the sorption experiments were performed in closed batch system under constant temperature and stirring speed, at the predetermined pH of initial solution. The kinetic mathematical models of pseudo-first order, pseudo-second order, Elovich and intra-particle diffusion model were used in order to better interpret the adsorption kinetics phenomenon. Equilibrium data were described by applying the isotherm models of Langmuir, Freundlich, Tóth, Sips and Khan. The best description of DYA sorption equilibrium data was achieved for the Langmuir isotherm model, reaching a maximum adsorption capacity of 100 mg·g-1. Finally, the DYA dye adsorption functional groups characterizations were successfully accomplished and the results elucidated the most important groups linked with CPS-AC surface where molecular interactions could occur. Hence, the quantitative evaluation of equilibrium and kinetic experiments of adsorption process have demonstrated that the CPS-AC adsorbent was a promising high effective adsorbent and its potential can be successfully used for DYA dye removal.

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

    Science.gov (United States)

    Kul, Ali Riza; Koyuncu, Hülya

    2010-07-15

    In this study, the adsorption kinetics, equilibrium and thermodynamics of Pb(II) ions on native (NB) and acid activated (AAB) bentonites were examined. The specific surface areas, pore size and pore-size distributions of the samples were fully characterized. The adsorption efficiency of Pb(II) onto the NB and AAB was increased with increasing temperature. The kinetics of adsorption of Pb(II) ions was discussed using three kinetic models, the pseudo-first-order, the pseudo-second-order and the intra-particle diffusion model. The experimental data fitted very well the pseudo-second-order kinetic model. The initial sorption rate and the activation energy were also calculated. The activation energy of the sorption was calculated as 16.51 and 13.66 kJ mol(-1) for NB and AAB, respectively. Experimental results were also analysed by the Langmuir, Freundlich and Dubinin-Redushkevich (D-R) isotherm equations at different temperatures. R(L) separation factor for Langmuir and the n value for Freundlich isotherm show that Pb(II) ions are favorably adsorbed by NB and AAB. Thermodynamic quantities such as Gibbs free energy (DeltaG), the enthalpy (DeltaH) and the entropy change of sorption (DeltaS) were determined as about -5.06, 10.29 and 0.017 kJ mol(-1) K(-1), respectively for AAB. It was shown that the sorption processes were an endothermic reactions, controlled by physical mechanisms and spontaneously. 2010 Elsevier B.V. All rights reserved.

  20. The Effect of First-Order Bending Resonance of Wheelset at High Speed on Wheel-Rail Contact Behavior

    Directory of Open Access Journals (Sweden)

    Shuoqiao Zhong

    2013-01-01

    Full Text Available The first-order bending deformation of wheelset is considered in the modeling vehicle/track coupling dynamic system to investigate its effect on wheel/rail contact behavior. In considering the effect of the first-order bending resonance on the rolling contact of wheel/rail, a new wheel/rail contact model is derived in detail in the modeling vehicle/track coupling dynamic system, in which the many intermediate coordinate systems and complex coordinate system transformations are used. The bending mode shape and its corresponding frequency of the wheelset are obtained through the modal analysis by using commercial software ANSYS. The modal superposition method is used to solve the differential equations of wheelset motion considering its flexible deformation due to the first-order bending resonance. In order to verify the present model and clarify the influence of the first-order bending deformation of wheelset on wheel/track contact behavior, a harmonic track irregularity with a fixed wavelength and a white-noise roughness are, respectively used as the excitations in the two models of vehicle-rail coupling dynamic system, one considers the effect of wheelset bending deformation, and the other does not. The numerical results indicate that the wheelset first-order bending deformation has an influence on wheel/rail rolling contact behavior and is easily excited under wheel/rail roughness excitation.

  1. Micellar effect on the kinetics of oxidation of methyl blue by Ce(IV in sulfuric acid medium

    Directory of Open Access Journals (Sweden)

    Mohammed Hassan

    2015-01-01

    Full Text Available The kinetics of oxidation of methyl blue (MB by Ce(IV in aqueous and surfactant media has been carried out to explore the micellar effect on the rate and kinetic parameters of the reaction. The reaction was found to be first order with respect to both oxidant and substrate and fractional order with respect to H+. The active kinetic species of the oxidant was found to be Ce(SO4+2 based on the effect of ionic strength and sulfate ion on the rate of the reaction. The presence of micelles was found to inhibit the reaction and this effect has been explained by the association of one of the reactants with the micelles leaving the other reactant in the bulk solution. The binding constant and first order rate constant in micellar medium has been obtained by the application of pseudo-phase model to the experimental data. Interestingly, the temperature dependence of the reaction reveals that the reaction has negative activation energy in the absence of micelles, which turns to a positive value in the presence of micelles.

  2. Adsorption Kinetics for the Removal of Hazardous Dye Congo Red by Biowaste Materials as Adsorbents

    Directory of Open Access Journals (Sweden)

    Sumanjit Kaur

    2013-01-01

    Full Text Available The present work aims to investigate the removal of dye congo red from aqueous solutions by two low-cost biowaste adsorbents such as ground nut shells charcoal (GNC and eichhornia charcoal (EC under various experimental conditions. The effect of contact time, ionic strength, temperature, pH, dye concentration, and adsorbent dose on the removal of dye was studied. The kinetic experimental data were fitted to pseudo-first order, pseudo-second order, intraparticle diffusion, Elovich model, and Bangham’s model. Results imply that adsorption of congo red on these adsorbents nicely followed the second order kinetic model and maximum adsorption capacity was found to be 117.6 and 56.8 mg g−1 for GNC and EC at 318 K, however it increases with increase in temperature for both adsorbents. Equilibrium isotherms were analyzed by Langmuir, Freundlich, Temkin, Dubinin and Radushkevich, and Generalized Isotherms. Freundlich isotherm described the isotherm data with high-correlation coefficients. The results of the present study substantiate that biowaste material GNC and EC are promising adsorbents for the removal of the dye congo red.

  3. Preparation of steam activated carbon from rubberwood sawdust (Hevea brasiliensis) and its adsorption kinetics.

    Science.gov (United States)

    Prakash Kumar, B G; Shivakamy, K; Miranda, Lima Rose; Velan, M

    2006-08-25

    Activated carbon was produced from a biowaste product, rubberwood sawdust (RWSD) using steam in a high temperature fluidized bed reactor. Experiments were carried out to investigate the influence of various process parameters such as activation time, activation temperature, particle size and fluidising velocity on the quality of the activated carbon. The activated carbon was characterized based on its iodine number, methylene blue number, Brauner Emmet Teller (BET) surface area and surface area obtained using the ethylene glycol mono ethyl ether (EGME) retention method. The best quality activated carbon was obtained at an activation time and temperature of 1h and 750 degrees C for an average particle size of 0.46 mm. The adsorption kinetics shows that pseudo-second-order rate fitted the adsorption kinetics better than pseudo-first-order rate equation. The adsorption capacity of carbon produced from RWSD was found to be 1250 mg g(-1) for the Bismark Brown dye. The rate constant and diffusion coefficient for intraparticle transport were determined for steam activated carbon. The characteristic of the prepared activated carbon was found comparable to the commercial activated carbon.

  4. Preparation of steam activated carbon from rubberwood sawdust (Hevea brasiliensis) and its adsorption kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Prakash Kumar, B.G. [Department of Chemical Engineering, Alagappa College of Technology, Anna University, Chennai 600 025 (India); Shivakamy, K. [Centralised Waste Management Facility, Bhabha Atomic Research Centre, Kalpakkam 603 102 (India); Miranda, Lima Rose [Department of Chemical Engineering, Alagappa College of Technology, Anna University, Chennai 600 025 (India); Velan, M. [Department of Chemical Engineering, Alagappa College of Technology, Anna University, Chennai 600 025 (India)]. E-mail: velan@annauniv.edu

    2006-08-25

    Activated carbon was produced from a biowaste product, rubberwood sawdust (RWSD) using steam in a high temperature fluidized bed reactor. Experiments were carried out to investigate the influence of various process parameters such as activation time, activation temperature, particle size and fluidising velocity on the quality of the activated carbon. The activated carbon was characterized based on its iodine number, methylene blue number, Brauner Emmet Teller (BET) surface area and surface area obtained using the ethylene glycol mono ethyl ether (EGME) retention method. The best quality activated carbon was obtained at an activation time and temperature of 1 h and 750 deg. C for an average particle size of 0.46 mm. The adsorption kinetics shows that pseudo-second-order rate fitted the adsorption kinetics better than pseudo-first-order rate equation. The adsorption capacity of carbon produced from RWSD was found to be 1250 mg g{sup -1} for the Bismark Brown dye. The rate constant and diffusion coefficient for intraparticle transport were determined for steam activated carbon. The characteristic of the prepared activated carbon was found comparable to the commercial activated carbon.

  5. Kinetic, equilibrium isotherm and thermodynamic studies of Cr(VI) adsorption onto low-cost adsorbent developed from peanut shell activated with phosphoric acid.

    Science.gov (United States)

    ALOthman, Zeid A; Naushad, Mu; Ali, Rahmat

    2013-05-01

    A particular agricultural waste, peanut shell, has been used as precursor for activated carbon production by chemical activation with H₃PO₄. Unoxidized activated carbon was prepared in nitrogen atmosphere which was then heated in air at a desired temperature to get oxidized activated carbon. The prepared carbons were characterized for surface area, surface morphology, and pore volume and utilized for the removal of Cr(VI) from aqueous solution. Batch mode experiments were conducted to study the effects of pH, contact time, particle size, adsorbent dose, initial concentration of adsorbate, and temperature on the adsorption of Cr(VI). Cr(VI) adsorption was significantly dependent on solution pH, and the optimum adsorption was observed at pH 2. Pseudo-first-order, pseudo-second-order, and intraparticle diffusion models were used to analyze the kinetic data obtained at different initial Cr(VI) concentrations. The adsorption kinetic data were described very well by the pseudo-second-order model. Equilibrium isotherm data were analyzed by the Langmuir, Freundlich, and Temkin models. The results showed that the Langmuir adsorption isotherm model fitted the data better in the temperature range studied. The adsorption capacity which was found to increase with temperature showed the endothermic nature of Cr(VI) adsorption. The thermodynamic parameters, such as Gibb's Free energy change (ΔG°), standard enthalpy change (ΔH°), and standard entropy change (ΔS°) were evaluated.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhou Limin [Key Laboratory of Nuclear Resources and Environment, East China Institute of Technology, Ministry of Education, Xuefu Road No. 56, Fuzhou, Jiangxi 344000 (China); School of Chemistry and Chemical Engineering, Tianjin University, Weijin Road No. 92, Tianjin 300072 (China)], E-mail: minglzh@sohu.com; Wang Yiping [School of Chemistry and Chemical Engineering, Tianjin University, Weijin Road No. 92, Tianjin 300072 (China); Liu Zhirong [Key Laboratory of Nuclear Resources and Environment, East China Institute of Technology, Ministry of Education, Xuefu Road No. 56, Fuzhou, Jiangxi 344000 (China); Huang Qunwu [School of Chemistry and Chemical Engineering, Tianjin University, Weijin Road No. 92, Tianjin 300072 (China)

    2009-01-30

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

  7. Reactions of enolisable ketones with dichloroisocyanuric acid in absence and presence of added chloride ions – a kinetic study

    Directory of Open Access Journals (Sweden)

    Y. L. Kumar

    2015-01-01

    Full Text Available Kinetics of reactions of enolisable ketones (S = acetone/2-butanone with dichloroisocyanuric acid (DCICA were studied in aqueous acetic acid and perchloric acid media in absence and presence of added chloride ions. The reactions were found to be pseudo zero order and pseudo first order on [DCICA] in absence and presence of chloride ions respectively. Both in presence and absence of chloride ions, first order and fractional order in substrate and perchloric acid were observed respectively. An increase in the rate of reaction was observed with an increase in chloride ion concentration as well as acetic acid composition. The results were interpreted in terms of probable mechanisms involving (i rate-determining enol formation from the conjugate acid of the ketone (SH+ in the absence of added chloride ions and (ii rate-determining interaction of SH+ with the most effective molecular chlorine species produced by the hydrolysis of DCICA (rather than a rate-determining interaction of enol with chlorine in the presence of added chloride ions, prior to the rapid steps of product formation. DOI: http://dx.doi.org/10.4314/bcse.v29i1.12

  8. Kinetics and isotherm analysis of Tropaeoline 000 adsorption onto unsaturated polyester resin (UPR): a non-carbon adsorbent.

    Science.gov (United States)

    Jain, Rajeev; Sharma, Pooja; Sikarwar, Shalini

    2013-03-01

    The presence of dyes in water is undesirable due to the toxicological impact of their entrance into the food chain. Owing to the recalcitrant nature of dyes to biological oxidation, a tertiary treatment like adsorption is required. In the present study, unsaturated polyester resin (UPR) has been used as a sorbent in the treatment of dye-contaminated water. Different concentrations of Tropaeoline 000 containing water were treated with UPR. The preliminary investigations were carried out by batch adsorption to examine the effects of pH, adsorbate concentration, adsorbent dosage, contact time, and temperature. A plausible mechanism for the ongoing adsorption process and thermodynamic parameters have also been obtained from Langmuir and Freundlich adsorption isotherm models. Thermodynamic parameter showed that the sorption process of Tropaeoline 000 onto activated carbon (AC) and UPR were feasible, spontaneous, and endothermic under studied conditions. The estimated values for (ΔG) are -10.48 × 10(3) and -6.098 × 10(3) kJ mol(-1) over AC and UPR at 303 K (30 °C), indicating towards a spontaneous process. The adsorption process followed pseudo-first-order model. The mass transfer property of the sorption process was studied using Lagergren pseudo-first-order kinetic models. The values of % removal and k (ad) for dye systems were calculated at different temperatures (303-323 K). The mechanism of the adsorption process was determined from the intraparticle diffusion model.

  9. Quasi-phases and pseudo-transitions in one-dimensional models with nearest neighbor interactions

    Science.gov (United States)

    de Souza, S. M.; Rojas, Onofre

    2018-01-01

    There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be confused naively with an authentic phase transition. Through the analysis of the first derivative of free energy, such as entropy, magnetization, and internal energy, a "sudden" jump that closely resembles a first-order phase transition at finite temperature occurs. However, by analyzing the second derivative of free energy, such as specific heat and magnetic susceptibility at finite temperature, it behaves quite similarly to a second-order phase transition exhibiting an astonishingly sharp and fine peak. The correlation length also confirms the evidence of this pseudo-transition temperature, where a sharp peak occurs at the pseudo-critical temperature. We also present the necessary conditions for the emergence of these quasi-phases and pseudo-transitions.

  10. First order accuracy conservative smooth particle method for elastic-plastic flows with contacts and free surfaces

    Science.gov (United States)

    Cherepanov, Roman O.; Gerasimov, Alexander V.

    2016-11-01

    A fully conservative first order accuracy smooth particle method is proposed for elastic-plastic flows. The paper also provides an algorithm for calculating free boundary conditions. A weak variational formulation is used to achieve energy and momentum conservation and to decrease an order of spatial derivatives for the boundary condition calculation, and the Taylor series expansion is used for restoring particle inconsistence and for getting at least the first order of accuracy of spatial derivatives. The approach proposed allows us to avoid the "ghost" particle usage.

  11. Performance characteristics of high performance liquid chromatography, first order derivative UV spectrophotometry and bioassay for fluconazole determination in capsules

    Directory of Open Access Journals (Sweden)

    Josilene Chaves Ruela Corrêa

    2012-01-01

    Full Text Available The bioassay, first order derivative UV spectrophotometry and chromatographic methods for assaying fluconazole capsules were compared. They have shown great advantages over the earlier published methods. Using the first order derivative, the UV spectrophotometry method does not suffer interference of excipients. Validation parameters such as linearity, precision, accuracy, limit of detection and limit of quantitation were determined. All methods were linear and reliable within acceptable limits for antibiotic pharmaceutical preparations being accurate, precise and reproducible. The application of each method as a routine analysis should be investigated considering cost, simplicity, equipment, solvents, speed, and application to large or small workloads.

  12. A detailed comparison study of first order and higher order shear deformation theories in the analysis of laminated composite plate

    Science.gov (United States)

    Sreehari, V. M.

    2017-08-01

    The primary aim of the present work is to calculate and compare the response of composite plate using first order and higher order shear deformation theories. The present study initially attempts to develop a finite element formulation for handling the analysis of laminated composite plates. The current study elaborately discusses the formulation that makes an easy programming even for a beginner in this field. Presently, mathematical formulation and Matlab coding using First Order Shear Deformation Theory (FSDT) and Higher Order Shear Deformation Theory (HSDT) had done. Results obtained were compared with the available literature. Parametric study also conducted to clearly understand the variation in results obtained from both FSDT and HSDT.

  13. In situ and laboratory determined first-order degradation rate constants of specific organic compounds in an aerobic aquifer

    DEFF Research Database (Denmark)

    Nielsen, P.H.; Bjerg, P.L.; Nielsen, P.

    1996-01-01

    , tetrachloroethene, phenol, o-cresol, 2,4- and 2,6-dichlorophenol, 4,6-o-dichlorocresol, and o- and p-nitrophenol in an aerobic aquifer, All aromatic hydrocarbons were degraded in ISM and LBM experiments. The phenolic hydrocarbons were ail degraded in ISM experiments, but some failed to degrade in LBM experiments...... experiments. First-order degradation rate constants for aromatic and phenolic hydrocarbons ranged between 0.01 and 0.9 day(-1). Local variations in first-order degradation rates and variations between rate constants determined by ISM and LBM were generally with in a factor of 5, but no systematic differences...

  14. KINETICS OF PALM OIL TRANSESTERIFICATION IN METHANOL WITH POTASSIUM HYDROXIDE AS A CATALYST

    Directory of Open Access Journals (Sweden)

    Yoeswono Yoeswono

    2010-06-01

    Full Text Available A study on palm oil transesterification to evaluate the effect of some parameters in the reaction on the reaction kinetics has been carried out. Transesterification was started by preparing potassium methoxide from potassium hydroxide and methanol and then mixed it with the palm oil. An aliquot was taken at certain time interval during transesterification and poured into test tube filled with distilled water to stop the reaction immediately. The oil phase that separated from the glycerol phase by centrifugation was analyzed by 1H-NMR spectrometer to determine the percentage of methyl ester conversion. Temperature and catalyst concentration were varied in order to determine the reaction rate constants, activation energies, pre-exponential factors, and effective collisions. The results showed that palm oil transesterification in methanol with 0.5 and 1 % w/w KOH/palm oil catalyst concentration appeared to follow pseudo-first order reaction. The rate constants increase with temperature. After 13 min of reaction, More methyl esters were formed using KOH 1 % than using 0.5 % w/w KOH/palm oil catalyst concentration. The activation energy (Ea and pre-exponential factor (A for reaction using 1 % w/w KOH was lower than those using 0.5 % w/w KOH.   Keywords: palm oil, transesterification, catalyst, first order kinetics, activation energy, pre-exponential factor

  15. Adsorption Kinetics of Malachite Green and Methylene Blue from Aqueous Solutions Using Surfactant-modified Organoclays.

    Science.gov (United States)

    Ullah, Haseeb; Nafees, Muhammad; Iqbal, Farhat; Awan, Muhammad; Shah, Afzal; Waseem, Amir

    2017-06-01

    The main objective of this research is to study the adsorption behaviour of malachite green and methylene blue dyes onto the surfactant modified natural clays. The results of SEM, XRD, IR, and thermal analysis confirms the intercalation of organic moiety in to the clay. The adsorption results show that pseudo-first order kinetics best fitted for both the dyes adsorbed on organo-clay. The data also reveals that both dyes are in a good agreement with Langmuir isotherm in both types of modified clays. The value of separation factor, RL, from Langmuir equation and Freundlich constant, n, give an indication of favourable adsorption. The maximum adsorption capacity qm based on Langmuir model was found to be 294-303 mg/g at 25 °C, is in good agreement with the experimental values.

  16. Kinetic study of microwave-assisted alkaline hydrolysis of Jatropha curcas oil

    Science.gov (United States)

    Yusuf, Nur'aini Raman; Kamil, Ruzaimah Nik Mohamad; Yusup, Suzana

    2016-11-01

    The kinetics of hydrolysis of Jatropha curcas oil under microwave irradation in the presence of alkaline solution was studied. The temperature of 50°C, 65°C and 80°C were studied in the range of optimum condition of 1.75 M catalyst, solvent/oil ratio of (1: 68) and 15 minutes reaction time. The rate constants of oil hydrolysis are corresponding to triglyceride disappearance concentration. The rates of reaction for fatty acids production was determined by pseudo first order. The activation energy (Ea) achieved at 30.61 kJ/mol is lower using conventional method. This conclude that the rate of reaction via microwave heating is less temperature sensitive therefore reaction can be obtained at lower temperature.

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

    Energy Technology Data Exchange (ETDEWEB)

    Caliskan, Necla, E-mail: ncaliskan7@hotmail.com [Department of Physical Chemistry, Faculty of Science, Yuezuencue Yil University, Van 65080 (Turkey); Kul, Ali Riza; Alkan, Salih; Sogut, Eda Gokirmak; Alacabey, Ihsan [Department of Physical Chemistry, Faculty of Science, Yuezuencue Yil University, Van 65080 (Turkey)

    2011-10-15

    Highlights: {center_dot}The removal of Zn(II) ions from aqueous solution was studied using natural and MnO{sub 2} modified diatomite samples at different temperatures. {center_dot} The sorption of Zn(II) on the natural and modified diatomite was an endothermic processes, controlled by physical mechanisms and spontaneously. {center_dot} Adsorption of zinc metal ion on diatomite samples is more or less a two step process. {center_dot} Adsorption of Zn(II) on natural and modified diatomite could be explained by the mechanism of pseudo-second-order. - Abstract: The removal of Zn(II) ions from aqueous solution was studied using natural and MnO{sub 2} modified diatomite samples at different temperatures. The linear Langmuir, Freundlich and Dubinin-Radushkevich (D-R) adsorption equations were applied to describe the equilibrium isotherms. From the D-R model, the mean adsorption energy was calculated as >8 kJ mol{sup -1}, indicating that the adsorption of Zn(II) onto diatomite and Mn-diatomite was physically carried out. In addition, the pseudo-first-order, pseudo-second-order and intraparticle diffusion models were used to determine the kinetic data. The experimental data were well fitted by the pseudo-second-order kinetic model. Thermodynamic parameters such as the enthalpy ({Delta}H{sup 0}), Gibbs' free energy ({Delta}G{sup 0}) and entropy ({Delta}S{sup 0}) were calculated for natural and MnO{sub 2} modified diatomite. These values showed that the adsorption of Zn(II) ions onto diatomite samples was controlled by a physical mechanism and occurred spontaneously.

  18. Suitability of the first-order mass transfer concept for describing cyclic diffusive mass transfer in stagnant zones

    NARCIS (Netherlands)

    Griffioen, J.

    1998-01-01

    The concept of first-order mass transfer between mobile and immobile regions, which mathematically simplifies the concept of Fickian diffusion in stagnant areas, has often been used to describe physical nonequilibrium transport of solutes into natural porous media. This study compares the two

  19. From single- to double-first-order magnetic phase transition in magnetocaloric Mn1?xCrxCoGe compounds

    NARCIS (Netherlands)

    Trung, N.T.; Biharie, V.; Zhang, L.; Caron, L.; Buschow, K.H.J.; Brück, E.H.

    2010-01-01

    Substitution of some Cr for Mn atoms in MnCoGe was employed to control the magnetic and structural transitions in this alloy to coincide, leading to a single first-order magnetostructural transition from the ferromagnetic to the paramagnetic state with a giant magnetocaloric effect observed near

  20. Existence and uniqueness of periodic solutions for first-order neutral functional differential equations with two deviating arguments

    Directory of Open Access Journals (Sweden)

    Jinsong Xiao

    2006-09-01

    Full Text Available In this paper, we use the coincidence degree theory to establish the existence and uniqueness of T-periodic solutions for the first-order neutral functional differential equation, with two deviating arguments, $$ (x(t+Bx(t-delta'= g_{1}(t,x(t-au_{1}(t +g_{2}(t,x(t-au_{2}(t +p(t. $$

  1. Extending the Bandwidth of a Superdirective First-Order Probe for Spherical Near-Field Antenna Measurements

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.

    2015-01-01

    A superdirective array of electrically small dipole radiators can effectively be used as a compact and lightweight first-order probe (a directive antenna radiating predominantly spherical modes with the azimuthal index |µ| = 1) in spherical near-field antenna measurements at low frequencies...

  2. Adsorption kinetics of NO on ordered mesoporous carbon (OMC) and cerium-containing OMC (Ce-OMC)

    Science.gov (United States)

    Chen, Jinghuan; Cao, Feifei; Chen, Songze; Ni, Mingjiang; Gao, Xiang; Cen, Kefa

    2014-10-01

    Ordered mesoporous carbon (OMC) and cerium-containing OMC (Ce-OMC) were prepared using evaporation-induced self-assembly (EISA) method and used to adsorb NO. N2 sorption, X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to confirm their structures. The results showed that the ordered and uniform structures were successfully synthesized and with the introduction of cerium pore properties were not significantly changed. The NO adsorption capacity of OMC was two times larger than that of activated carbon (AC). With the introduction of cerium both the adsorption capacity and the adsorption rate were improved. The effects of residence time and oxygen concentration on NO adsorption were also investigated. Oxygen played an important role in the NO adsorption (especially in the form of chemisorption) and residence time had small influence on the NO adsorption capacity. The NO adsorption kinetics was analyzed using pseudo-first-order, pseudo-second-order, Elovich equation and intraparticle diffusion models. The results indicated that the NO adsorption process can be divided into rapid adsorption period, slow adsorption period, and equilibrium adsorption period. The pseudo-second-order model was the most suitable model for NO adsorption on OMC and Ce-OMC. The rate controlling step was the intraparticle diffusion together with the adsorption reaction.

  3. Kinetic modeling of liquid-phase adsorption of Congo red dye using guava leaf-based activated carbon

    Science.gov (United States)

    Ojedokun, Adedamola Titi; Bello, Olugbenga Solomon

    2017-07-01

    Guava leaf, a waste material, was treated and activated to prepare adsorbent. The adsorbent was characterized using Scanning Electron Microscopy (SEM), Fourier Transform Infra Red (FTIR) and Energy-Dispersive X-ray (EDX) techniques. The carbonaceous adsorbent prepared from guava leaf had appreciable carbon content (86.84 %). The adsorption of Congo red dye onto guava leaf-based activated carbon (GLAC) was studied in this research. Experimental data were analyzed by four different model equations: Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherms and it was found to fit Freundlich equation most. Adsorption rate constants were determined using pseudo-first-order, pseudo-second-order, Elovich and intraparticle diffusion model equations. The results clearly showed that the adsorption of CR dye onto GLAC followed pseudo-second-order kinetic model. Intraparticle diffusion was involved in the adsorption process. The mean energy of adsorption calculated from D-R isotherm confirmed the involvement of physical adsorption. Thermodynamic parameters were obtained and it was found that the adsorption of CR dye onto GLAC was an exothermic and spontaneous process at the temperatures under investigation. The maximum adsorption of CR dye by GLAC was found to be 47.62 mg/g. The study shows that GLAC is an effective adsorbent for the adsorption of CR dye from aqueous solution.

  4. A Novel Biosorbent, Water-Hyacinth, Uptaking Methylene Blue from Aqueous Solution: Kinetics and Equilibrium Studies

    Directory of Open Access Journals (Sweden)

    Md. Nasir Uddin

    2014-01-01

    Full Text Available The adsorption of MB dye from aqueous solution onto HCl acid treated water-hyacinth (H-WH was investigated by carried out batch sorption experiments. The effect of process parameters such as pH, adsorbent dosage, concentrations and contact time, and ionic strength were studied. Adsorption of MB onto H-WH was found highly pH dependent and ionic strength shows negative impact on MB removal. To predict the biosorption isotherms and to determine the characteristic parameters for process design, Langmuir, Freundlich, Temkin, and Halsey isotherms models were utilized to equilibrium data. The adsorption kinetics was tested for pseudo-first-order (PFO, pseudo-second-order (PSO, intraparticle diffusion (IPD, and Bangham’s kinetic models. The Langmuir isotherm model showed the goodness-of-fit among the tested models for equilibrium adsorption of MB over H-WH and indicated the maximum adsorption capacity as 63.30 mg/g. Higher coefficient of determination (R2>0.99 and better agreement between the qe (experimental and qe (calculated values predicted that PSO kinetic model showed the goodness-of-fit for kinetic data along with rate constant 1.66×10-3, 4.42×10-3, and 3.57×10-3 mg·g-1min⁡-1/2⁡, respectively, for the studied concentration range. At the initial stage of adsorption, the overall rate of dye uptake was found to be dominated by external mass transfer, and afterwards, it is controlled by IPD mechanism.

  5. Investigation of kinetics and absorption isotherm models for hydroponic phytoremediation of waters contaminated with sulfate.

    Science.gov (United States)

    Saber, Ali; Tafazzoli, Milad; Mortazavian, Soroosh; James, David E

    2017-11-24

    Two common wetland plants, Pampas Grass (Cortaderia selloana) and Lucky Bamboo (Dracaena sanderiana), were used in hydroponic cultivation systems for the treatment of simulated high-sulfate wastewaters. Plants in initial experiments at pH 7.0 removed sulfate more efficiently compared to the same experimental conditions at pH 6.0. Results at sulfate concentrations of 50, 200, 300, 600, 900, 1200, 1500 and 3000 mg/L during three consecutive 7-day treatment periods with 1-day rest intervals, showed decreasing trends of both removal efficiencies and uptake rates with increasing sulfate concentrations from the first to the second to the third 7-day treatment periods. Removed sulfate masses per unit dry plant mass, calculated after 23 days, showed highest removal capacity at 600 mg/L sulfate for both plants. A Langmuir-type isotherm best described sulfate uptake capacity of both plants. Kinetic studies showed that compared to pseudo first-order kinetics, pseudo-second order kinetic models slightly better described sulfate uptake rates by both plants. The Elovich kinetic model showed faster rates of attaining equilibrium at low sulfate concentrations for both plants. The dimensionless Elovich model showed that about 80% of sulfate uptake occurred during the first four days' contact time. Application of three 4-day contact times with 2-day rest intervals at high sulfate concentrations resulted in slightly higher uptakes compared to three 7-day contact times with 1-day rest intervals, indicating that pilot-plant scale treatment systems could be sized with shorter contact times and longer rest-intervals. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Phototransformation of amlodipine: degradation kinetics and identification of its photoproducts.

    Directory of Open Access Journals (Sweden)

    Anna Jakimska

    Full Text Available Nowadays, monitoring focuses on the primary compounds and does not include degradation products formed during various biological and chemical processes. Transformation products may have the same effects to human health and the environment or sometimes they can be more toxic than the parent compound. Unfortunately, knowledge about the formation of degradation products is still limited, however, can be very important for the environmental risk assessment. Firstly, the photodegradation kinetic of amlodipine was investigated in two experimental conditions: during the exposure to solar radiation and during the exposure to the light emitted by the xenon lamp. In all cases degradation of amlodipine followed a pseudo-first-order kinetics. In the next step, identification of transformation products of amlodipine formed during the exposure to xenon lamp irradiation was performed using ultra high performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS. As a result sixteen photoproducts were identified, their structures were elucidated and ultimately the transformation pathway was proposed. Fifteen compounds (out of 16 photoproducts were newly identified and reported here for the first time; some of those compounds were formed from the first photoproduct, amlodipine pyridine derivative. Several analytes were formed only in acidic or basic conditions. Furthermore, the occurrence of amlodipine and its identified degradation products was investigated in environmental waters. Only one out of 16 compounds was found in wastewater effluent. The possibility of the sorption of examined analytes to sewage sludge particles was discussed based on QSAR.

  7. COMPARATIVE ANALYSIS OF SOME EXISTING KINETIC MODELS ...

    African Journals Online (AJOL)

    In terms of highest values of R2, first proposed model accounted for 46.7%, Pseudo second-order kinetics model 40% while Elovich, Webber-Morris and second proposed kinetic models accounted for 6.7% respectively of the total results for biosorption of the three heavy metals by five selected microorganisms. But based ...

  8. Modeling and performance analysis of a closed-loop supply chain using first-order hybrid Petri nets

    Directory of Open Access Journals (Sweden)

    Imane Outmal

    2016-05-01

    Full Text Available Green or closed-loop supply chain had been the focus of many manufacturers during the last decade. The application of closed-loop supply chain in today’s manufacturing is not only due to growing environmental concerns and the recognition of its benefits in reducing greenhouse gas emissions, energy consumption, and meeting a more strict environmental regulations but it also offers economic competitive advantages if appropriately managed. First-order hybrid Petri nets represent a powerful graphical and mathematical formalism to map and analyze the dynamics of complex systems such as closed-loop supply chain networks. This article aims at illustrating the use of first-order hybrid Petri nets to model a closed-loop supply chain network and evaluate its operational, financial, and environmental performance measures under different management policies. Actual data from auto manufacturer in the United States are used to validate network’s performance under both tactical and strategic decision-making, namely, (1 tactical decision—production policies: increase of recovered versus new components and (2 strategic decision—closed-loop supply chain network structure: manufacturer internal recovery process or recovery process done by a third-party collection and recovery center. The work presented in this article is an extension of the use of first-order hybrid Petri nets as a modeling and performance analysis tool from supply chain to closed-loop supply chain. The modularity property of first-order hybrid Petri nets has been used in the modeling process, and the simulation and analysis of the modeled network are done in MATLAB® environment. The results of the experiments depict that first-order hybrid Petri nets are a powerful modeling and analysis formalism for closed-loop supply chain networks and can be further used as an efficient decision-making tool at both tactical and strategic levels. Unlike other researches on modeling supply chain

  9. Adsorption of Nile Blue A from Wastewater Using Magnetic Multi-Walled Carbon Nanotubes: Kinetics and Equilibrium Studies

    Directory of Open Access Journals (Sweden)

    Mehrnaz Ghoochian

    2016-04-01

    Full Text Available Background: Synthetic dyes are serious pollutants and wide ranges of methods have been employed for their removal from aquatic systems. We studied the adsorption of "Nile blue A" (NBA, an anionic dye, from aqueous solution by oxidized multi-walled carbon nanotubes (MWCNTs. Methods: Scanning electron microscope and Fourier transform infrared spectroscopy were used to characterize function groups produced at MWCNTs surface. Kinetics and adsorption isotherms of NBA, the effect of temperature, pH, contact time and initial dosage of nanotubes on the adsorption capacity were also assessed. The experimental data were analyzed by Langmuir and Freundlich models. Results: Most of the dye was removed in the first 5 min and best adsorption percentage was at pH 7.0. The equilibrium reached at 45 min. The experimental data were analyzed by Langmuir and Freundlich models and the results fitted well with the Freundlich model. The adsorption kinetic data were analyzed using first-order and the pseudo-second order model and the adsorption kinetic data of NBA dye onto MWCNTs fitted the pseudo-second order model. The maximum adsorption capacity was obtained as 169.49 mg g-1. Conclusion: Freundlich model suggested that the adsorption process followed heterogeneous distribution onto MWCNTs and pseudo-second model of adsorption implied that chemical processes controlled the rate-controlling step. Oxidized MWCNTs could be used as an effective adsorbent for the removal of "Nile Blue A" dye. Oxidization of MWCNTs by nitric acid, improves the efficiency of NBA removal due to increases in functional groups and total number of adsorption sites.

  10. Removal of mixed pesticides from aqueous solutions using organoclays: evaluation of equilibrium and kinetic model.

    Science.gov (United States)

    Saha, Ajoy; Ahammed Shabeer Tp; Gajbhiye, V T; Gupta, Suman; Kumar, Rajesh

    2013-07-01

    Removal of mixed pesticides, namely alachlor, metolachlor, chlorpyriphos, fipronil, α-endosulfan, β-endosulfan, p,p'-DDT and two metabolites p,p'-DDE and endosulfan sulphate from aqueous solution by batch adsorption onto three commercial organo-modified montmorillonite clays [modified with octadecylamine (ODA-M), modified with dimethyl- dialkylamine (DMDA-M) and modified with octadecylamine and aminopropyltriethoxysilane (ODAAPS-M)] were investigated. Effect of process variables, mainly contact time and initial concentration of mixed pesticides, on adsorption phenomenon were evaluated. To understand the adsorption kinetic pseudo-first-order and pseudo-second-order models were tested. The pseudo-second-order model provided the best fit for explaining adsorption kinetics, on the basis of high correlation coefficient (r) and normalized percent deviation values. The adsorption equilibrium was explained by the Freundlich isotherm (r = 0.951-0.992). High values (0.17-0.52 mg g⁻¹) of Freundlich constant (K(f)) indicated higher affinity of pesticides towards all three organoclays, as a result of hydrophobic interaction between the adsorbent/adsorbate systems. Pesticides with high octanol-water partition coefficient (K(ow)) and low water solubility showed faster adsorption with higher K(f) values as compared to the pesticides with low K(ow) and high water solubility. The order of organoclays for removal efficiency of mixed pesticide was ODAAPS-M > DMDA-M > ODA-M. These findings may find application to decontaminate or treat mixed pesticide contaminated industrial/agricultural waste waters.

  11. Adsorption of Lead Ion from Aqueous Solution by Modified Walnut Shell: Kinetics and Thermodynamics.

    Science.gov (United States)

    Li, Shenmaishang; Zeng, Zuoxiang; Xue, Weilan

    2018-01-18

    The novel modified walnut shell (WNS-MAH) with higher adsorption capacity for lead ion (carboxyl value, 2.77 mmol/g) was prepared by reacting walnut shell (WNS) with maleic anhydride. Both WNS and WNS-MAH were analysed by scanning electron microscope (SEM) and Fourier transform infrared (FTIR). The adsorption capacity of WNS-MAH for lead ion was evaluated at different adsorbent doses, pHs, time and temperatures. The adsorption kinetics and adsorption isotherms were investigated in the temperature range of 298-318K. The adsorption kinetics of lead ion onto WNS-MAH were fitted using pseudo-first-order, pseudo-second-order and Elovich model. It was found that pseudo-second-order model gives the best correlation results. The diffusion mechanism was determined according to the intraparticle diffusion equation and Boyd equation. Results suggested the adsorption process was governed by film diffusion. The equilibrium adsorption data of lead ion onto WNS-MAH were fitted with Freundlich model and Langmuir model. The maximum adsorption capacity of WNS-MAH for lead ion removal was 221.24 mg/g at 318 K. The equilibrium adsorption data were analyzed using D-R model, and the feature concentration (Ce') was determined at different temperatures to distinguish chemisorption and physisorption. The thermodynamic parameters (ΔG, ΔH and ΔS) were calculated and revealed the adsorption of lead ion onto WNS-MAH was spontaneous and endothermic. Additionally, the regeneration property was studied and the adsorption process was confirmed by Energy Disperse Spectroscopy (EDS).

  12. Efficient removal of cadmium using magnetic multiwalled carbon nanotube nanoadsorbents: equilibrium, kinetic, and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Pashai Gatabi, Maliheh; Milani Moghaddam, Hossain, E-mail: Milani@umz.ac.ir [University of Mazandaran, Soid State Physics Department (Iran, Islamic Republic of); Ghorbani, Mohsen [Babol Noshirvani University of Technology, Chemical Engineering Department (Iran, Islamic Republic of)

    2016-07-15

    Adsorptive potential of maghemite decorated multiwalled carbon nanotubes (MWCNTs) for the removal of cadmium ions from aqueous solution was investigated. The magnetic nanoadsorbent was synthesized using a versatile and cost effective chemical route. Structural, magnetic and surface charge properties of the adsorbent were characterized using FTIR, XRD, TEM, VSM analysis and pH{sub PZC} determination. Batch adsorption experiments were performed under varied system parameters such as pH, contact time, initial cadmium concentration and temperature. Highest cadmium adsorption was obtained at pH 8.0 and contact time of 30 min. Adsorption behavior was kinetically studied using pseudo first-order, pseudo second-order, and Weber–Morris intra particle diffusion models among which data were mostly correlated to pseudo second-order model. Adsorbate-adsorbent interactions as a function of temperature was assessed by Langmuir, Freundlich, Dubinin–Radushkevich (D-R) and Temkin isotherm models from which Freundlich model had the highest consistency with the data. The adsorption capacity increased with increasing temperature and maximum Langmuir’s adsorption capacity was found to be 78.81 mg g{sup −1} at 298 K. Thermodynamic parameters and activation energy value suggest that the process of cadmium removal was spontaneous and physical in nature, which lead to fast kinetics and high regeneration capability of the nanoadsorbent. Results of this work are of great significance for environmental applications of magnetic MWCNTs as promising adsorbent for heavy metals removal from aqueous solutions.Graphical Abstract.

  13. Pseudo random signal processing theory and application

    CERN Document Server

    Zepernick, Hans-Jurgen

    2013-01-01

    In recent years, pseudo random signal processing has proven to be a critical enabler of modern communication, information, security and measurement systems. The signal's pseudo random, noise-like properties make it vitally important as a tool for protecting against interference, alleviating multipath propagation and allowing the potential of sharing bandwidth with other users. Taking a practical approach to the topic, this text provides a comprehensive and systematic guide to understanding and using pseudo random signals. Covering theoretical principles, design methodologies and applications

  14. PID controller tuning for the first-order-plus-dead-time process model via Hermite-Biehler theorem.

    Science.gov (United States)

    Roy, Anindo; Iqbal, Kamran

    2005-07-01

    This paper discusses PID stabilization of a first-order-plus-dead-time (FOPDT) process model using the stability framework of the Hermite-Biehler theorem. The FOPDT model approximates many processes in the chemical and petroleum industries. Using a PID controller and first-order Padé approximation for the transport delay, the Hermite-Biehler theorem allows one to analytically study the stability of the closed-loop system. We derive necessary and sufficient conditions for stability and develop an algorithm for selection of stabilizing feedback gains. The results are given in terms of stability bounds that are functions of plant parameters. Sensitivity and disturbance rejection characteristics of the proposed PID controller are studied. The results are compared with established tuning methods such as Ziegler-Nichols, Cohen-Coon, and internal model control.

  15. Weakly First-Order Phase Transitions: The {ital {epsilon}} Expansion vs Numerical Simulations in the Cubic Anisotropy Model

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, P.; Sharpe, S.R.; Yaffe, L.G.; Zhang, Y. [Department of Physics, University of Washington, Seattle, Washington 98195--1560 (United States)

    1997-03-01

    Some phase transitions of cosmological interest may be weakly first order and cannot be analyzed by a simple perturbative expansion around mean field theory. We propose a simple two-scalar model{emdash}the cubic anisotropy model{emdash}as a foil for theoretical techniques to study such transitions, and we review its similarities and dissimilarities to the electroweak phase transition in the early Universe. We present numerical Monte Carlo results for various discontinuities across very weakly first-order transitions in this model and, as an example, compare them to {epsilon}-expansion results. For this purpose, we have computed through next-to-next-to-leading order in {epsilon}. {copyright} {ital 1997} {ital The American Physical Society}

  16. On the induction of the first-order phase magnetic transitions by acoustic vibrations in MnSi

    Science.gov (United States)

    Pikin, S. A.

    2017-12-01

    The main result of the paper contains the conclusion that the magnetic phase transition in MnSi always remains first order at any temperature and magnetic field. In these aims, a model of coupling of an order parameter with other degrees of freedom is used. The coupling of magnetic order parameters with longwave acoustic phonons, in the presence of the nonsingular parts of the bulk and shear moduli, a first-order transition occurs, participle near the transition the heat capacity and the compressibility remain finite, if in the system without allowance of the acoustic phonons the heat capacity becomes infinite. The role of the Frenkel heterophase fluctuations is discussed. The impurity effect shows that, for some phases, the heat capacity of the system remains continuous and finite at the transition point. It is supposed that the transition is progressively smoothed by these fluctuations at the application of the magnetic field.

  17. Quantitative determination of levofloxacin hemihydrate in bulk and tablets by UV-spectrophotometry and first order derivative methods.

    Science.gov (United States)

    Shirkhedkar, A A; Surana, S J

    2009-07-01

    Two simple, rapid, accurate and economical 'UV Spectrophotometry' and 'First Order Derivative' methods have been developed for determination of levofloxacin hemihydrate in bulk and tablets. In (10% v/v) acetonitrile, the lambdamax of the drug was found to be 288 nm. The same spectrum was derivatised into first order derivative, using UV probe software of instrument (Shimadzu-2450), at Deltalambda=4. The amplitude of the trough was recorded at 297 nm. In both the proposed methods, levofloxacin hemihydrate follows linearity in the concentration range 2-12 microg/ml with a correlation coefficient of 0.9999. Assay results were in good agreement with label claim. The methods were validated statistically and by recovery studies. The relative standard deviation were found to be less than 2% with excellent precision and accuracy.

  18. A Preisach approach to modeling partial phase transitions in the first order magnetocaloric material MnFe(P,As)

    Energy Technology Data Exchange (ETDEWEB)

    Moos, L. von, E-mail: lmoo@dtu.dk [Department of Energy Conversion and Storage, Technical University of Denmark, 4000 Roskilde (Denmark); Bahl, C.R.H.; Nielsen, K.K.; Engelbrecht, K. [Department of Energy Conversion and Storage, Technical University of Denmark, 4000 Roskilde (Denmark); Küpferling, M.; Basso, V. [Istituto Nazionale di Ricerca Metrologica, 10135 Torino (Italy)

    2014-02-15

    Magnetic refrigeration is an emerging technology that could provide energy efficient and environmentally friendly cooling. Magnetocaloric materials in which a structural phase transition is found concurrently with the magnetic phase transition are often termed first order magnetocaloric materials. Such materials are potential candidates for application in magnetic refrigeration devices. However, the first order materials often have adverse properties such as hysteresis, making actual performance troublesome to quantify, a subject not thoroughly studied within this field. Here we investigate the behavior of MnFe(P,As) under partial phase transitions, which is similar to what materials experience in actual magnetic refrigeration devices. Partial phase transition curves, in the absence of a magnetic field, are measured using calorimetry and the experimental results are compared to simulations of a Preisach-type model. We show that this approach is applicable and discuss what experimental data is required to obtain a satisfactory material model.

  19. Influence of aperiodic modulations on first-order transitions: Numerical study of the two-dimensional Potts model

    Science.gov (United States)

    Girardi, D.; Branco, N. S.

    2011-06-01

    We study the Potts model on a rectangular lattice with aperiodic modulations in its interactions along one direction. Numerical results are obtained using the Wolff algorithm and for many lattice sizes, allowing for a finite-size scaling analyses to be carried out. Three different self-dual aperiodic sequences are employed, which leads to more precise results, since the exact critical temperature is known. We analyze two models, with 6 and 15 number of states: both present first-order transitions on their uniform versions. We show that the Harris-Luck criterion, originally introduced in the study of continuous transitions, is obeyed also for first-order ones. Also, we show that the new universality class that emerges for relevant aperiodic modulations depends on the number of states of the Potts model, as obtained elsewhere for random disorder, and on the aperiodic sequence. We determine the occurrence of log-periodic behavior, as expected for models with aperiodic modulated interactions.

  20. C-band fundamental/first-order mode converter based on multimode interference coupler on InP substrate

    Science.gov (United States)

    Limeng, Zhang; Dan, Lu; Zhaosong, Li; Biwei, Pan; Lingjuan, Zhao

    2016-12-01

    The design, fabrication and characterization of a fundamental/first-order mode converter based on multimode interference coupler on InP substrate were reported. Detailed optimization of the device parameters were investigated using 3D beam propagation method. In the experiments, the fabricated mode converter realized mode conversion from the fundamental mode to the first-order mode in the wavelength range of 1530-1565 nm with excess loss less than 3 dB. Moreover, LP01 and LP11 fiber modes were successfully excited from a few-mode fiber by using the device. This InP-based mode converter can be a possible candidate for integrated transceivers for future mode-division multiplexing system. Project supported by the National Basic Research Program of China (No. 2014CB340102) and in part by the National Natural Science Foundation of China (Nos. 61274045, 61335009).